Hauser-Feshbach fission fragment de-excitation with calculated macroscopic-microscopic mass yields

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

Jaffke, Patrick John; Talou, Patrick; Sierk, Arnold John

The Hauser-Feshbach statistical model is applied to the de-excitation of primary fission fragments using input mass yields calculated with macroscopic-microscopic models of the potential energy surface. We test the sensitivity of the prompt fission observables to the input mass yields for two important reactions, 235U (n th, f) and 239Pu (n th, f) , for which good experimental data exist. General traits of the mass yields, such as the location of the peaks and their widths, can impact both the prompt neutron and γ-ray multiplicities, as well as their spectra. Specifically, we use several mass yields to determine a linear correlation between the calculated prompt neutron multiplicitymore » $$\\bar{v}$$ and the average heavy-fragment mass $$\\langle$$A h$$\\rangle$$ of the input mass yields ∂$$\\bar{v}$$/∂ $$\\langle$$A h$$\\rangle$$ = ± 0.1 (n / f )/u . The mass peak width influences the correlation between the total kinetic energy of the fission fragments and the total number of prompt neutrons emitted, $$\\bar{v}_T$$ ( TKE ) . Finally, typical biases on prompt particle observables from using calculated mass yields instead of experimental ones are δ$$\\bar{v}$$ = 4 % for the average prompt neutron multiplicity, δ$$\\overline{M}_γ$$ = 1% for the average prompt γ-ray multiplicity, δ$$\\bar{ε}$$ $$LAB\\atop{n}$$ = 1 % for the average outgoing neutron energy, δ$$\\bar{ε}_γ$$ = 1 % for the average γ-ray energy, and δ $$\\langle$$TKE$$\\rangle$$ = 0.4 % for the average total kinetic energy of the fission fragments.« less

Hauser-Feshbach fission fragment de-excitation with calculated macroscopic-microscopic mass yields

DOE PAGES

Jaffke, Patrick John; Talou, Patrick; Sierk, Arnold John; ...

2018-03-15

The Hauser-Feshbach statistical model is applied to the de-excitation of primary fission fragments using input mass yields calculated with macroscopic-microscopic models of the potential energy surface. We test the sensitivity of the prompt fission observables to the input mass yields for two important reactions, 235U (n th, f) and 239Pu (n th, f) , for which good experimental data exist. General traits of the mass yields, such as the location of the peaks and their widths, can impact both the prompt neutron and γ-ray multiplicities, as well as their spectra. Specifically, we use several mass yields to determine a linear correlation between the calculated prompt neutron multiplicitymore » $$\\bar{v}$$ and the average heavy-fragment mass $$\\langle$$A h$$\\rangle$$ of the input mass yields ∂$$\\bar{v}$$/∂ $$\\langle$$A h$$\\rangle$$ = ± 0.1 (n / f )/u . The mass peak width influences the correlation between the total kinetic energy of the fission fragments and the total number of prompt neutrons emitted, $$\\bar{v}_T$$ ( TKE ) . Finally, typical biases on prompt particle observables from using calculated mass yields instead of experimental ones are δ$$\\bar{v}$$ = 4 % for the average prompt neutron multiplicity, δ$$\\overline{M}_γ$$ = 1% for the average prompt γ-ray multiplicity, δ$$\\bar{ε}$$ $$LAB\\atop{n}$$ = 1 % for the average outgoing neutron energy, δ$$\\bar{ε}_γ$$ = 1 % for the average γ-ray energy, and δ $$\\langle$$TKE$$\\rangle$$ = 0.4 % for the average total kinetic energy of the fission fragments.« less

Forward-backward multiplicity correlations of target fragments in nucleus-emulsion collisions at a few hundred MeV/u

NASA Astrophysics Data System (ADS)

Zhang, Dong-Hai; Chen, Yan-Ling; Wang, Guo-Rong; Li, Wang-Dong; Wang, Qing; Yao, Ji-Jie; Zhou, Jian-Guo; Li, Rong; Li, Jun-Sheng; Li, Hui-Ling

2015-01-01

The forward-backward multiplicity and correlations of a target evaporated fragment (black track particle) and target recoiled proton (grey track particle) emitted from 150 A MeV 4He, 290 A MeV 12C, 400 A MeV 12C, 400 A MeV 20Ne and 500 A MeV 56Fe induced different types of nuclear emulsion target interactions are investigated. It is found that the forward and backward averaged multiplicity of a grey, black and heavily ionized track particle increases with the increase of the target size. The averaged multiplicity of a forward black track particle, backward black track particle, and backward grey track particle do not depend on the projectile size and energy, but the averaged multiplicity of a forward grey track particle increases with an increase of projectile size and energy. The backward grey track particle multiplicity distribution follows an exponential decay law and the decay constant decreases with an increase of target size. The backward-forward multiplicity correlations follow linear law which is independent of the projectile size and energy, and the saturation effect is observed in some heavy target data sets.

Performance of correlation receivers in the presence of impulse noise.

NASA Technical Reports Server (NTRS)

Moore, J. D.; Houts, R. C.

1972-01-01

An impulse noise model, which assumes that each noise burst contains a randomly weighted version of a basic waveform, is used to derive the performance equations for a correlation receiver. The expected number of bit errors per noise burst is expressed as a function of the average signal energy, signal-set correlation coefficient, bit time, noise-weighting-factor variance and probability density function, and a time range function which depends on the crosscorrelation of the signal-set basis functions and the noise waveform. Unlike the performance results for additive white Gaussian noise, it is shown that the error performance for impulse noise is affected by the choice of signal-set basis function, and that Orthogonal signaling is not equivalent to On-Off signaling with the same average energy. Furthermore, it is demonstrated that the correlation-receiver error performance can be improved by inserting a properly specified nonlinear device prior to the receiver input.

A Correlation Between Intrinsic Brightness and Average Decay Rate of Swift UVOT GRB Optical/UV Light Curves

NASA Technical Reports Server (NTRS)

Oates, S. R.; Page, M. J.; De Pasquale, M.; Schady, P.; Breeveld, A. A.; Holland, S. T.; Kuin, N. P. M.; Marshall, F. E.

2012-01-01

We examine a sample of 48 Swift/UVOT long Gamma-ray Burst light curves and find a correlation between the logarithmic luminosity at 200s and average decay rate determined from 200s onwards, with a Spearman rank coefficient of -0.58 at a significance of 99.998% (4.2 sigma ). We discuss the causes of the log L200s - alpha (greater than) 200s correlation, finding it to be an intrinsic property of long GRBs, and not resulting from the selection criteria. We find two ways to produce the correlation. One possibility is that there is some property of the central engine, outflow or external medium that affects the rate of energy release so that the bright afterglows release their energy more quickly and decay faster than the fainter afterglows. Alternatively, the correlation may be produced by variation of the observers viewing angle, with observers at large viewing angles observing fainter and slower decaying light curves.

Method and apparatus for in-situ characterization of energy storage and energy conversion devices

DOEpatents

Christophersen, Jon P [Idaho Falls, ID; Motloch, Chester G [Idaho Falls, ID; Morrison, John L [Butte, MT; Albrecht, Weston [Layton, UT

2010-03-09

Disclosed are methods and apparatuses for determining an impedance of an energy-output device using a random noise stimulus applied to the energy-output device. A random noise signal is generated and converted to a random noise stimulus as a current source correlated to the random noise signal. A bias-reduced response of the energy-output device to the random noise stimulus is generated by comparing a voltage at the energy-output device terminal to an average voltage signal. The random noise stimulus and bias-reduced response may be periodically sampled to generate a time-varying current stimulus and a time-varying voltage response, which may be correlated to generate an autocorrelated stimulus, an autocorrelated response, and a cross-correlated response. Finally, the autocorrelated stimulus, the autocorrelated response, and the cross-correlated response may be combined to determine at least one of impedance amplitude, impedance phase, and complex impedance.

Pooled Results From 5 Validation Studies of Dietary Self-Report Instruments Using Recovery Biomarkers for Energy and Protein Intake

PubMed Central

Freedman, Laurence S.; Commins, John M.; Moler, James E.; Arab, Lenore; Baer, David J.; Kipnis, Victor; Midthune, Douglas; Moshfegh, Alanna J.; Neuhouser, Marian L.; Prentice, Ross L.; Schatzkin, Arthur; Spiegelman, Donna; Subar, Amy F.; Tinker, Lesley F.; Willett, Walter

2014-01-01

We pooled data from 5 large validation studies of dietary self-report instruments that used recovery biomarkers as references to clarify the measurement properties of food frequency questionnaires (FFQs) and 24-hour recalls. The studies were conducted in widely differing US adult populations from 1999 to 2009. We report on total energy, protein, and protein density intakes. Results were similar across sexes, but there was heterogeneity across studies. Using a FFQ, the average correlation coefficients for reported versus true intakes for energy, protein, and protein density were 0.21, 0.29, and 0.41, respectively. Using a single 24-hour recall, the coefficients were 0.26, 0.40, and 0.36, respectively, for the same nutrients and rose to 0.31, 0.49, and 0.46 when three 24-hour recalls were averaged. The average rate of under-reporting of energy intake was 28% with a FFQ and 15% with a single 24-hour recall, but the percentages were lower for protein. Personal characteristics related to under-reporting were body mass index, educational level, and age. Calibration equations for true intake that included personal characteristics provided improved prediction. This project establishes that FFQs have stronger correlations with truth for protein density than for absolute protein intake, that the use of multiple 24-hour recalls substantially increases the correlations when compared with a single 24-hour recall, and that body mass index strongly predicts under-reporting of energy and protein intakes. PMID:24918187

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.

Water 16-mers and hexamers: assessment of the three-body and electrostatically embedded many-body approximations of the correlation energy or the nonlocal energy as ways to include cooperative effects.

PubMed

Qi, Helena W; Leverentz, Hannah R; Truhlar, Donald G

2013-05-30

This work presents a new fragment method, the electrostatically embedded many-body expansion of the nonlocal energy (EE-MB-NE), and shows that it, along with the previously proposed electrostatically embedded many-body expansion of the correlation energy (EE-MB-CE), produces accurate results for large systems at the level of CCSD(T) coupled cluster theory. We primarily study water 16-mers, but we also test the EE-MB-CE method on water hexamers. We analyze the distributions of two-body and three-body terms to show why the many-body expansion of the electrostatically embedded correlation energy converges faster than the many-body expansion of the entire electrostatically embedded interaction potential. The average magnitude of the dimer contributions to the pairwise additive (PA) term of the correlation energy (which neglects cooperative effects) is only one-half of that of the average dimer contribution to the PA term of the expansion of the total energy; this explains why the mean unsigned error (MUE) of the EE-PA-CE approximation is only one-half of that of the EE-PA approximation. Similarly, the average magnitude of the trimer contributions to the three-body (3B) term of the EE-3B-CE approximation is only one-fourth of that of the EE-3B approximation, and the MUE of the EE-3B-CE approximation is one-fourth that of the EE-3B approximation. Finally, we test the efficacy of two- and three-body density functional corrections. One such density functional correction method, the new EE-PA-NE method, with the OLYP or the OHLYP density functional (where the OHLYP functional is the OptX exchange functional combined with the LYP correlation functional multiplied by 0.5), has the best performance-to-price ratio of any method whose computational cost scales as the third power of the number of monomers and is competitive in accuracy in the tests presented here with even the electrostatically embedded three-body approximation.

A Correlation Between the Intrinsic Brightness and Average Decay Rate of Gamma-Ray Burst X-Ray Afterglow Light Curves

NASA Technical Reports Server (NTRS)

Racusin, J. L.; Oates, S. R.; De Pasquale, M.; Kocevski, D.

2016-01-01

We present a correlation between the average temporal decay (alpha X,avg, greater than 200 s) and early-time luminosity (LX,200 s) of X-ray afterglows of gamma-ray bursts as observed by the Swift X-ray Telescope. Both quantities are measured relative to a rest-frame time of 200 s after the gamma-ray trigger. The luminosity â€" average decay correlation does not depend on specific temporal behavior and contains one scale-independent quantity minimizing the role of selection effects. This is a complementary correlation to that discovered by Oates et al. in the optical light curves observed by the Swift Ultraviolet Optical Telescope. The correlation indicates that, on average, more luminous X-ray afterglows decay faster than less luminous ones, indicating some relative mechanism for energy dissipation. The X-ray and optical correlations are entirely consistent once corrections are applied and contamination is removed. We explore the possible biases introduced by different light-curve morphologies and observational selection effects, and how either geometrical effects or intrinsic properties of the central engine and jet could explain the observed correlation.

10 CFR Appendix R to Subpart B of... - Uniform Test Method for Measuring Average Lamp Efficacy (LE), Color Rendering Index (CRI), and...

Code of Federal Regulations, 2014 CFR

2014-01-01

... (LE), Color Rendering Index (CRI), and Correlated Color Temperature (CCT) of Electric Lamps R Appendix R to Subpart B of Part 430 Energy DEPARTMENT OF ENERGY ENERGY CONSERVATION ENERGY CONSERVATION PROGRAM FOR CONSUMER PRODUCTS Test Procedures Pt. 430, Subpt. B, App. R Appendix R to Subpart B of Part...

10 CFR Appendix R to Subpart B of... - Uniform Test Method for Measuring Average Lamp Efficacy (LE), Color Rendering Index (CRI), and...

Code of Federal Regulations, 2013 CFR

2013-01-01

... (LE), Color Rendering Index (CRI), and Correlated Color Temperature (CCT) of Electric Lamps R Appendix R to Subpart B of Part 430 Energy DEPARTMENT OF ENERGY ENERGY CONSERVATION ENERGY CONSERVATION PROGRAM FOR CONSUMER PRODUCTS Test Procedures Pt. 430, Subpt. B, App. R Appendix R to Subpart B of Part...

10 CFR Appendix R to Subpart B of... - Uniform Test Method for Measuring Average Lamp Efficacy (LE), Color Rendering Index (CRI), and...

Code of Federal Regulations, 2011 CFR

2011-01-01

... (LE), Color Rendering Index (CRI), and Correlated Color Temperature (CCT) of Electric Lamps R Appendix R to Subpart B of Part 430 Energy DEPARTMENT OF ENERGY ENERGY CONSERVATION ENERGY CONSERVATION PROGRAM FOR CONSUMER PRODUCTS Test Procedures Pt. 430, Subpt. B, App. R Appendix R to Subpart B of Part...

10 CFR Appendix R to Subpart B of... - Uniform Test Method for Measuring Average Lamp Efficacy (LE), Color Rendering Index (CRI), and...

Code of Federal Regulations, 2012 CFR

2012-01-01

... (LE), Color Rendering Index (CRI), and Correlated Color Temperature (CCT) of Electric Lamps R Appendix R to Subpart B of Part 430 Energy DEPARTMENT OF ENERGY ENERGY CONSERVATION ENERGY CONSERVATION PROGRAM FOR CONSUMER PRODUCTS Test Procedures Pt. 430, Subpt. B, App. R Appendix R to Subpart B of Part...

Saving time and energy with oversubscription and semi-direct Møller-Plesset second order perturbation methods.

PubMed

Fought, Ellie L; Sundriyal, Vaibhav; Sosonkina, Masha; Windus, Theresa L

2017-04-30

In this work, the effect of oversubscription is evaluated, via calling 2n, 3n, or 4n processes for n physical cores, on semi-direct MP2 energy and gradient calculations and RI-MP2 energy calculations with the cc-pVTZ basis using NWChem. Results indicate that on both Intel and AMD platforms, oversubscription reduces total time to solution on average for semi-direct MP2 energy calculations by 25-45% and reduces total energy consumed by the CPU and DRAM on average by 10-15% on the Intel platform. Semi-direct gradient time to solution is shortened on average by 8-15% and energy consumption is decreased by 5-10%. Linear regression analysis shows a strong correlation between time to solution and total energy consumed. Oversubscribing during RI-MP2 calculations results in performance degradations of 30-50% at the 4n level. © 2017 Wiley Periodicals, Inc. © 2017 Wiley Periodicals, Inc.

An experimental study of the wall-pressure fluctuations beneath low Reynolds number turbulent boundary layers.

PubMed

Van Blitterswyk, Jared; Rocha, Joana

2017-02-01

A more complete understanding of the physical relationships, between wall-pressure and turbulence, is required for modeling flow-induced noise and developing noise reduction strategies. In this study, the wall-pressure fluctuations, induced by low Reynolds number turbulent boundary layers, are experimentally studied using a high-resolution microphone array. Statistical characteristics obtained using traditional cross-correlation and cross-spectra analyses are complimented with wall-pressure-velocity cross-spectra and wavelet cross-correlations. Wall-pressure-velocity correlations revealed that turbulent activity in the buffer layer contributes at least 40% of the energy to the wall-pressure spectrum at all measured frequencies. As Reynolds number increases, the low-frequency energy shifts from the buffer layer to the logarithmic layer, as expected for regions of uniform streamwise momentum formed by hairpin packets. Conditional cross-spectra suggests that the majority of broadband wall-pressure energy is concentrated within the packets, with the pressure signatures of individual hairpin vortices estimated to decay on average within traveling ten displacement thicknesses, and the packet signature is retained for up to seven boundary layer thicknesses on average.

Multiplicities of charged hadrons in 280 GeV/c muon-proton scattering

NASA Astrophysics Data System (ADS)

Arneodo, M.; Arvidson, A.; Aubert, J. J.; Badelek, B.; Beaufays, J.; Becks, K. H.; Bee, C. P.; Benchouk, C.; Berghoff, G.; Bird, I.; Blum, D.; Böhm, E.; De Bouard, X.; Brasse, F. W.; Braun, H.; Broll, C.; Brown, S.; Brück, H.; Calen, H.; Callebaut, D.; Chima, J. S.; Ciborowski, J.; Clifft, R.; Coignet, G.; Combley, F.; Coughlan, J.; D'Agostini, G.; Dahlgren, S.; Dengler, F.; Derado, I.; Dreyer, T.; Drees, J.; Düren, M.; Eckardt, V.; Edwards, A.; Edwards, M.; Ernst, T.; Eszes, G.; Favier, J.; Ferrero, M. I.; Figiel, J.; Flauger, W.; Foster, J.; Gabathuler, E.; Gajewski, J.; Gamet, R.; Gayler, J.; Geddes, N.; Giubellino, P.; Grafström, P.; Grard, F.; Hass, J.; Hagberg, E.; Hasert, F. J.; Hayman, P.; Heusse, P.; Hoppe, C.; Jaffré, M.; Jacholkowska, A.; Janata, F.; Jancso, G.; Johnson, A. S.; Kabuss, E. M.; Kellner, G.; Kesteman, J.; Korbel, V.; Krüger, J.; Kullander, S.; Landgraf, U.; Lanske, D.; Loken, J.; Long, K.; Maire, M.; Manz, A.; Mohr, W.; Montanet, F.; Montgomery, H. E.; Nagy, E.; Nassalski, J.; Norton, P. R.; Oakham, F. G.; Osborne, A. M.; Pascaud, C.; Pawlik, B.; Payre, P.; Peroni, C.; Pessard, H.; Pettingale, J.; Pietrzyk, B.; Pönsgen, B.; Pötsch, M.; Renton, P.; Ribarics, P.; Rith, K.; Rondio, E.; Scheer, M.; Schlagböhmer, A.; Schiemann, H.; Schmitz, N.; Schneegans, M.; Schröder, T.; Schouten, M.; Schultze, K.; Sholz, M.; Sloan, T.; Stier, H. E.; Stockhausen, W.; Studt, M.; Taylor, G. N.; Thénard, J. M.; Thompson, J. C.; De La Torre, A.; Toth, J.; Urban, L.; Urban, L.; Wahlen, H.; Wallucks, W.; Whalley, M.; Wheeler, S.; Williams, W. S. C.; Wimpenny, S. J.; Windmolders, R.; Wolf, G.; European Muon Collaboration

Properties of the hadron multiplicity distributions in 280 GeV/ c μ +p interactions have been investigated. The c.m. energy dependence in the range from 4 to 20 GeV of the total charged multiplicities are presented. No variation faster than logarithmic is seen in the energy range of this experiment. Comparison with νp and overlineνp data at lower energy has been made and shows good agreement between μ +p and overlineνp total charged multiplicities. It has been found that the average forward multiplicity (charged hadrons with xF > 0) exceeds the average backward multiplicity (charged hadrons with xF < 0) in the whole energy range and presents a different energy variation. The average forward multiplicity has been compared to e +e - data and shows a similar dependence on energy. Little correlation was observed between the forward and backward multiplicities indicating that the current and target regions fragment almost independently.

Approximations to complete basis set-extrapolated, highly correlated non-covalent interaction energies.

PubMed

Mackie, Iain D; DiLabio, Gino A

2011-10-07

The first-principles calculation of non-covalent (particularly dispersion) interactions between molecules is a considerable challenge. In this work we studied the binding energies for ten small non-covalently bonded dimers with several combinations of correlation methods (MP2, coupled-cluster single double, coupled-cluster single double (triple) (CCSD(T))), correlation-consistent basis sets (aug-cc-pVXZ, X = D, T, Q), two-point complete basis set energy extrapolations, and counterpoise corrections. For this work, complete basis set results were estimated from averaged counterpoise and non-counterpoise-corrected CCSD(T) binding energies obtained from extrapolations with aug-cc-pVQZ and aug-cc-pVTZ basis sets. It is demonstrated that, in almost all cases, binding energies converge more rapidly to the basis set limit by averaging the counterpoise and non-counterpoise corrected values than by using either counterpoise or non-counterpoise methods alone. Examination of the effect of basis set size and electron correlation shows that the triples contribution to the CCSD(T) binding energies is fairly constant with the basis set size, with a slight underestimation with CCSD(T)∕aug-cc-pVDZ compared to the value at the (estimated) complete basis set limit, and that contributions to the binding energies obtained by MP2 generally overestimate the analogous CCSD(T) contributions. Taking these factors together, we conclude that the binding energies for non-covalently bonded systems can be accurately determined using a composite method that combines CCSD(T)∕aug-cc-pVDZ with energy corrections obtained using basis set extrapolated MP2 (utilizing aug-cc-pVQZ and aug-cc-pVTZ basis sets), if all of the components are obtained by averaging the counterpoise and non-counterpoise energies. With such an approach, binding energies for the set of ten dimers are predicted with a mean absolute deviation of 0.02 kcal/mol, a maximum absolute deviation of 0.05 kcal/mol, and a mean percent absolute deviation of only 1.7%, relative to the (estimated) complete basis set CCSD(T) results. Use of this composite approach to an additional set of eight dimers gave binding energies to within 1% of previously published high-level data. It is also shown that binding within parallel and parallel-crossed conformations of naphthalene dimer is predicted by the composite approach to be 9% greater than that previously reported in the literature. The ability of some recently developed dispersion-corrected density-functional theory methods to predict the binding energies of the set of ten small dimers was also examined. © 2011 American Institute of Physics

Neutron-fragment and Neutron-neutron Correlations in Low-energy Fission

NASA Astrophysics Data System (ADS)

Lestone, J. P.

2016-01-01

A computational method has been developed to simulate neutron emission from thermal-neutron induced fission of 235U and from spontaneous fission of 252Cf. Measured pre-emission mass-yield curves, average total kinetic energies and their variances, both as functions of mass split, are used to obtain a representation of the distribution of fragment velocities. Measured average neutron multiplicities as a function of mass split and their dependence on total kinetic energy are used. Simulations can be made to reproduce measured factorial moments of neutron-multiplicity distributions with only minor empirical adjustments to some experimental inputs. The neutron-emission spectra in the rest-frame of the fragments are highly constrained by ENDF/B-VII.1 prompt-fission neutron-spectra evaluations. The n-f correlation measurements of Vorobyev et al. (2010) are consistent with predictions where all neutrons are assumed to be evaporated isotropically from the rest frame of fully accelerated fragments. Measured n-f and n-n correlations of others are a little weaker than the predictions presented here. These weaker correlations could be used to infer a weak scission-neutron source. However, the effect of neutron scattering on the experimental results must be studied in detail before moving away from a null hypothesis that all neutrons are evaporated from the fragments.

Quantification of correlational selection on thermal physiology, thermoregulatory behavior, and energy metabolism in lizards

PubMed Central

Artacho, Paulina; Saravia, Julia; Ferrandière, Beatriz Decencière; Perret, Samuel; Le Galliard, Jean-François

2015-01-01

Phenotypic selection is widely accepted as the primary cause of adaptive evolution in natural populations, but selection on complex functional properties linking physiology, behavior, and morphology has been rarely quantified. In ectotherms, correlational selection on thermal physiology, thermoregulatory behavior, and energy metabolism is of special interest because of their potential coadaptation. We quantified phenotypic selection on thermal sensitivity of locomotor performance (sprint speed), thermal preferences, and resting metabolic rate in captive populations of an ectothermic vertebrate, the common lizard, Zootoca vivipara. No correlational selection between thermal sensitivity of performance, thermoregulatory behavior, and energy metabolism was found. A combination of high body mass and resting metabolic rate was positively correlated with survival and negatively correlated with fecundity. Thus, different mechanisms underlie selection on metabolism in lizards with small body mass than in lizards with high body mass. In addition, lizards that selected the near average preferred body temperature grew faster that their congeners. This is one of the few studies that quantifies significant correlational selection on a proxy of energy expenditure and stabilizing selection on thermoregulatory behavior. PMID:26380689

Quantification of correlational selection on thermal physiology, thermoregulatory behavior, and energy metabolism in lizards.

PubMed

Artacho, Paulina; Saravia, Julia; Ferrandière, Beatriz Decencière; Perret, Samuel; Le Galliard, Jean-François

2015-09-01

Phenotypic selection is widely accepted as the primary cause of adaptive evolution in natural populations, but selection on complex functional properties linking physiology, behavior, and morphology has been rarely quantified. In ectotherms, correlational selection on thermal physiology, thermoregulatory behavior, and energy metabolism is of special interest because of their potential coadaptation. We quantified phenotypic selection on thermal sensitivity of locomotor performance (sprint speed), thermal preferences, and resting metabolic rate in captive populations of an ectothermic vertebrate, the common lizard, Zootoca vivipara. No correlational selection between thermal sensitivity of performance, thermoregulatory behavior, and energy metabolism was found. A combination of high body mass and resting metabolic rate was positively correlated with survival and negatively correlated with fecundity. Thus, different mechanisms underlie selection on metabolism in lizards with small body mass than in lizards with high body mass. In addition, lizards that selected the near average preferred body temperature grew faster that their congeners. This is one of the few studies that quantifies significant correlational selection on a proxy of energy expenditure and stabilizing selection on thermoregulatory behavior.

Stochastic analog neutron transport with TRIPOLI-4 and FREYA: Bayesian uncertainty quantification for neutron multiplicity counting

DOE PAGES

Verbeke, J. M.; Petit, O.

2016-06-01

From nuclear safeguards to homeland security applications, the need for the better modeling of nuclear interactions has grown over the past decades. Current Monte Carlo radiation transport codes compute average quantities with great accuracy and performance; however, performance and averaging come at the price of limited interaction-by-interaction modeling. These codes often lack the capability of modeling interactions exactly: for a given collision, energy is not conserved, energies of emitted particles are uncorrelated, and multiplicities of prompt fission neutrons and photons are uncorrelated. Many modern applications require more exclusive quantities than averages, such as the fluctuations in certain observables (e.g., themore » neutron multiplicity) and correlations between neutrons and photons. In an effort to meet this need, the radiation transport Monte Carlo code TRIPOLI-4® was modified to provide a specific mode that models nuclear interactions in a full analog way, replicating as much as possible the underlying physical process. Furthermore, the computational model FREYA (Fission Reaction Event Yield Algorithm) was coupled with TRIPOLI-4 to model complete fission events. As a result, FREYA automatically includes fluctuations as well as correlations resulting from conservation of energy and momentum.« less

Collisional rates based on the first potential energy surface of the NeH+ -He system

NASA Astrophysics Data System (ADS)

Bop, Cheikh T.; Hammami, K.; Faye, N. A. B.

2017-09-01

The potential energy surface is computed at the explicitly correlated coupled cluster with simple, second and perturbative triple excitation method (CCSD(T)-F12) in connection with the augmented-correlation consistent-polarized valence triple zeta (aug-cc-pVTZ) Gaussian basis set for the NeH+ -He system. The calculations were performed by first taking into account the vibration of the molecule and then averaging the so-obtained three-dimensional potential. From this average interaction potential, cross-sections among the 11 first rotational levels of NeH+ induced by collision with He are calculated for energies up to 4000 cm-1 using the quantum mechanical close coupling (CC) approach. Collisional rate coefficients are obtained by thermally averaging these cross-sections at low temperature (T ≤ 300 K). The propensity rules of the rotational transitions obtained in this paper are discussed and compared with those of HeH+ and ArH+ in collision with electron. This work may be helpful for the eventual investigations, both theoretical and experimental, focused to detect the key cationic noble gas hydride NeH+ in the interstellar and circumstellar media as well as in laboratory experiments.

Study of multiplicity correlations in nucleus-nucleus interactions at high energy

NASA Astrophysics Data System (ADS)

Mohery, M.; Sultan, E. M.; Baz, Shadiah S.

2015-06-01

In the present paper, some results on the correlations of the nucleus-nucleus interactions, at high energy, between different particle multiplicities are reported. The correlations between the multiplicities of the different charged particles emitted in the interactions of 22Ne and 28Si nuclei with emulsion at (4.1-4.5)A GeV/c have been studied. The correlations of the compound multiplicity nc, defined as the sum of both numbers of the shower particles ns and grey particles ng, have been investigated. The experimental data have been compared with the corresponding theoretical ones, calculated according to the modified cascade evaporation model (MCEM). An agreement has already been fairly obtained between the experimental values and the calculated ones. The dependence of the average compound multiplicity, on the numbers of shower, grey, black and heavy particles is obvious and the values of the slope have been found to be independent of the projectile nucleus. On the other hand, the variation of the average shower, grey, black and heavy particles is found to increase linearly with the compound particles. A strong correlation has been observed between the number of produced shower particles and the number of compound particles. Moreover, the value of the average compound multiplicity is found to increase with the increase of the projectile mass. Finally, an attempt has also been made to study the scaling of the compound multiplicity distribution showing that the compound multiplicity distribution is nearly consistent with the KNO scaling behavior.

Complete event simulations of nuclear fission

NASA Astrophysics Data System (ADS)

Vogt, Ramona

2015-10-01

For many years, the state of the art for treating fission in radiation transport codes has involved sampling from average distributions. In these average fission models energy is not explicitly conserved and everything is uncorrelated because all particles are emitted independently. However, in a true fission event, the energies, momenta and multiplicities of the emitted particles are correlated. Such correlations are interesting for many modern applications. Event-by-event generation of complete fission events makes it possible to retain the kinematic information for all particles emitted: the fission products as well as prompt neutrons and photons. It is therefore possible to extract any desired correlation observables. Complete event simulations can be included in general Monte Carlo transport codes. We describe the general functionality of currently available fission event generators and compare results for several important observables. This work was performed under the auspices of the US DOE by LLNL, Contract DE-AC52-07NA27344. We acknowledge support of the Office of Defense Nuclear Nonproliferation Research and Development in DOE/NNSA.

Characterization of impulse noise and analysis of its effect upon correlation receivers

NASA Technical Reports Server (NTRS)

Houts, R. C.; Moore, J. D.

1971-01-01

A noise model is formulated to describe the impulse noise in many digital systems. A simplified model, which assumes that each noise burst contains a randomly weighted version of the same basic waveform, is used to derive the performance equations for a correlation receiver. The expected number of bit errors per noise burst is expressed as a function of the average signal energy, signal-set correlation coefficient, bit time, noise-weighting-factor variance and probability density function, and a time range function which depends on the crosscorrelation of the signal-set basis functions and the noise waveform. A procedure is established for extending the results for the simplified noise model to the general model. Unlike the performance results for Gaussian noise, it is shown that for impulse noise the error performance is affected by the choice of signal-set basis functions and that Orthogonal signaling is not equivalent to On-Off signaling with the same average energy.

SU-E-T-379: Evaluation of An EPID-Based System for Daily Dosimetry Check by Comparison with a Widely-Used Ionization Chamber-Based Device

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

McDonald, D; Koch, N; Peng, J

2015-06-15

Purpose: To examine the feasibility of using Varian’s EPID-based Machine Performance Check (MPC) system to track daily machine output through comparison with Sun Nuclear’s DailyQA3 (DQA) device. Methods: Daily machine outputs for two photon energies (6 and 16MV) and five electron energies (6, 9, 12, 16, 20MeV) were measured for one month using both MPC and DQA. Baselines measurements for MPC were taken at the start of the measurement series, while DQA baselines were set at an earlier date. In order to make absolute comparisons with MPC, all DQA readings were referenced to the average of the first three DQAmore » readings in that series, minimizing systematic differences between the measurement techniques due to baseline differences. In addition to daily output measurements, weekly averages were also calculated and compared. Finally, the electron energy dependence of each measurement technique was examined by comparing energy-specific measurements to the average electron output of all energies each day. Results: For 6 and 16MV photons, the largest absolute percent differences between MPC and DQA were 0.60% and 0.73%, respectively. Weekly averages were within 0.17% and 0.23%, respectively. For all five electron energies, the greatest absolute percent differences between MPC and DQA for each energy ranged from 0.49%–0.83%. Weekly averages ranged from 0.07%–0.28%. DQA energy-specific electron readings matched the average electron output within 0.29% for all days and all energies. MPC energy-specific readings matched the average within 0.21% for 9–20MeV. However, 6MeV showed a larger distribution about the average with four days showing a difference greater than 0.30% and a maximum difference of 0.51%. Conclusion: MPC output measurements correlated well with the widely-used DQA3 for most beam energies, making it a reliable back up technique for daily output monitoring. However, MPC may display an energy dependence for lower electrons energies, requiring additional investigation.« less

Can end-of-day reports replace momentary assessment of pain and fatigue?

PubMed Central

Broderick, Joan E.; Schwartz, Joseph E.; Schneider, Stefan; Stone, Arthur A.

2009-01-01

This study evaluated the ability of end-of-day (EOD) ratings to accurately reflect momentary (EMA) ratings on 10 widely used pain and fatigue items. Rheumatology patients (N=105) completed ≥5 randomly scheduled EMA assessments of each item per day as well as EOD ratings. Correlations were high between EOD and EMA ratings of the five pain items (r= .90-.92) and somewhat lower for the five fatigue/energy items (r= .71-.86). To examine the ability of EOD ratings to represent a week of EMA ratings, 7 EOD ratings were averaged and correlated with EMA (r ≥ .95 for pain items, r = .88-.95 for fatigue/energy items). Further, averaging only 3-5 EOD ratings achieved very high correlations with a week of EMA ratings. Within-subject correlations of EOD with mean daily EMA across 7 days confirmed patients’ ability to provide daily ratings that accurately reflect their day-to-day variation in symptom levels. These EOD results were compared to traditional recall ratings collected in the same protocol. It was concluded (1) that EOD ratings were a better representation of EMA than were recall ratings, and (2) that EOD ratings across a reporting period can replace EMA for studies targeting average levels of pain or fatigue. Perspective This study in chronic pain patients demonstrated that end-of-day ratings of pain are highly accurate representations of average levels of pain experience across a day; Ratings of fatigue were somewhat less accurate, though still at a level that would be valid. PMID:19070550

Composite operators in cubic field theories and link-overlap fluctuations in spin-glass models

NASA Astrophysics Data System (ADS)

Altieri, Ada; Parisi, Giorgio; Rizzo, Tommaso

2016-01-01

We present a complete characterization of the fluctuations and correlations of the squared overlap in the Edwards-Anderson spin-glass model in zero field. The analysis reveals that the energy-energy correlation (and thus the specific heat) has a different critical behavior than the fluctuations of the link overlap in spite of the fact that the average energy and average link overlap have the same critical properties. More precisely the link-overlap fluctuations are larger than the specific heat according to a computation at first order in the 6 -ɛ expansion. An unexpected outcome is that the link-overlap fluctuations have a subdominant power-law contribution characterized by an anomalous logarithmic prefactor which is absent in the specific heat. In order to compute the ɛ expansion we consider the problem of the renormalization of quadratic composite operators in a generic multicomponent cubic field theory: the results obtained have a range of applicability beyond spin-glass theory.

Understanding the atomic-level Green-Kubo stress correlation function for a liquid through phonons in a model crystal

NASA Astrophysics Data System (ADS)

Levashov, V. A.

2014-11-01

In order to gain insight into the connection between the vibrational dynamics and the atomic-level Green-Kubo stress correlation function in liquids, we consider this connection in a model crystal instead. Of course, vibrational dynamics in liquids and crystals are quite different and it is not expected that the results obtained on a model crystal should be valid for liquids. However, these considerations provide a benchmark to which the results of the previous molecular dynamics simulations can be compared. Thus, assuming that vibrations are plane waves, we derive analytical expressions for the atomic-level stress correlation functions in the classical limit and analyze them. These results provide, in particular, a recipe for analysis of the atomic-level stress correlation functions in Fourier space and extraction of the wave-vector and frequency-dependent information. We also evaluate the energies of the atomic-level stresses. The energies obtained are significantly smaller than the energies previously determined in molecular dynamics simulations of several model liquids. This result suggests that the average energies of the atomic-level stresses in liquids and glasses are largely determined by the structural disorder. We discuss this result in the context of equipartition of the atomic-level stress energies. Analysis of the previously published data suggests that it is possible to speak about configurational and vibrational contributions to the average energies of the atomic-level stresses in a glass state. However, this separation in a liquid state is problematic. We also introduce and briefly consider the atomic-level transverse current correlation function. Finally, we address the broadening of the peaks in the pair distribution function with increase of distance. We find that the peaks' broadening (by ≈40 % ) occurs due to the transverse vibrational modes, while contribution from the longitudinal modes does not change with distance.

Benchmark quality total atomization energies of small polyatomic molecules

NASA Astrophysics Data System (ADS)

Martin, Jan M. L.; Taylor, Peter R.

1997-05-01

Successive coupled-cluster [CCSD(T)] calculations in basis sets of spdf, spdfg, and spdfgh quality, combined with separate Schwartz-type extrapolations A+B/(l+1/2)α of the self-consistent field (SCF) and correlation energies, permit the calculations of molecular total atomization energies (TAEs) with a mean absolute error of as low as 0.12 kcal/mol. For the largest molecule treated, C2H4, we find ∑D0=532.0 kcal/mol, in perfect agreement with experiment. The aug-cc-pV5Z basis set recovers on average about 99% of the valence correlation contribution to the TAE, and essentially the entire SCF contribution.

A Meta-Analysis of Single-Family Deep Energy Retrofit Performance in the U.S.

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

Less, Brennan; Walker, Iain

2014-08-01

The current state of Deep Energy Retrofit (DER) performance in the U.S. has been assessed in 116 homes in the United States, using actual and simulated data gathered from the available domestic literature. Substantial airtightness reductions averaging 63% (n=48) were reported (two- to three-times more than in conventional retrofits), with average post-retrofit airtightness of 4.7 Air Changes per House at 50 Pascal (ACH50) (n=94). Yet, mechanical ventilation was not installed consistently. In order to avoid indoor air quality (IAQ) issues, all future DERs should comply with ASHRAE 62.2-2013 requirements or equivalent. Projects generally achieved good energy results, with average annualmore » net-site and net-source energy savings of 47%±20% and 45%±24% (n=57 and n=35), respectively, and carbon emission reductions of 47%±22% (n=23). Net-energy reductions did not vary reliably with house age, airtightness, or reported project costs, but pre-retrofit energy usage was correlated with total reductions (MMBtu).« less

Averaged Propulsive Body Acceleration (APBA) Can Be Calculated from Biologging Tags That Incorporate Gyroscopes and Accelerometers to Estimate Swimming Speed, Hydrodynamic Drag and Energy Expenditure for Steller Sea Lions

PubMed Central

Trites, Andrew W.; Rosen, David A. S.; Potvin, Jean

2016-01-01

Forces due to propulsion should approximate forces due to hydrodynamic drag for animals horizontally swimming at a constant speed with negligible buoyancy forces. Propulsive forces should also correlate with energy expenditures associated with locomotion—an important cost of foraging. As such, biologging tags containing accelerometers are being used to generate proxies for animal energy expenditures despite being unable to distinguish rotational movements from linear movements. However, recent miniaturizations of gyroscopes offer the possibility of resolving this shortcoming and obtaining better estimates of body accelerations of swimming animals. We derived accelerations using gyroscope data for swimming Steller sea lions (Eumetopias jubatus), and determined how well the measured accelerations correlated with actual swimming speeds and with theoretical drag. We also compared dive averaged dynamic body acceleration estimates that incorporate gyroscope data, with the widely used Overall Dynamic Body Acceleration (ODBA) metric, which does not use gyroscope data. Four Steller sea lions equipped with biologging tags were trained to swim alongside a boat cruising at steady speeds in the range of 4 to 10 kph. At each speed, and for each dive, we computed a measure called Gyro-Informed Dynamic Acceleration (GIDA) using a method incorporating gyroscope data with accelerometer data. We derived a new metric—Averaged Propulsive Body Acceleration (APBA), which is the average gain in speed per flipper stroke divided by mean stroke cycle duration. Our results show that the gyro-based measure (APBA) is a better predictor of speed than ODBA. We also found that APBA can estimate average thrust production during a single stroke-glide cycle, and can be used to estimate energy expended during swimming. The gyroscope-derived methods we describe should be generally applicable in swimming animals where propulsive accelerations can be clearly identified in the signal—and they should also prove useful for dead-reckoning and improving estimates of energy expenditures from locomotion. PMID:27285467

Dynamical correlation effects on photoisomerization: Ab initio multiple spawning dynamics with MS-CASPT2 for a model trans-protonated Schiff base

DOE PAGES

Liu, Lihong; Liu, Jian; Martinez, Todd J.

2015-12-17

Here, we investigate the photoisomerization of a model retinal protonated Schiff base (trans-PSB3) using ab initio multiple spawning (AIMS) based on multi-state second order perturbation theory (MSPT2). Discrepancies between the photodynamical mechanism computed with three-root state-averaged complete active space self-consistent field (SA-3-CASSCF, which does not include dynamic electron correlation effects) and MSPT2 show that dynamic correlation is critical in this photoisomerization reaction. Furthermore, we show that the photodynamics of trans-PSB3 is not well described by predictions based on minimum energy conical intersections (MECIs) or minimum energy conical intersection (CI) seam paths. Instead, most of the CIs involved in the photoisomerizationmore » are far from MECIs and minimum energy CI seam paths. Thus, both dynamical nuclear effects and dynamic electron correlation are critical to understanding the photochemical mechanism.« less

Glycogen with short average chain length enhances bacterial durability

NASA Astrophysics Data System (ADS)

Wang, Liang; Wise, Michael J.

2011-09-01

Glycogen is conventionally viewed as an energy reserve that can be rapidly mobilized for ATP production in higher organisms. However, several studies have noted that glycogen with short average chain length in some bacteria is degraded very slowly. In addition, slow utilization of glycogen is correlated with bacterial viability, that is, the slower the glycogen breakdown rate, the longer the bacterial survival time in the external environment under starvation conditions. We call that a durable energy storage mechanism (DESM). In this review, evidence from microbiology, biochemistry, and molecular biology will be assembled to support the hypothesis of glycogen as a durable energy storage compound. One method for testing the DESM hypothesis is proposed.

Super-Arrhenius diffusion in an undercooled binary Lennard-Jones liquid results from a quantifiable correlation effect.

PubMed

de Souza, Vanessa K; Wales, David J

2006-02-10

On short time scales an underlying Arrhenius temperature dependence of the diffusion constant can be extracted from the fragile, super-Arrhenius diffusion of a binary Lennard-Jones mixture. This Arrhenius diffusion is related to the true super-Arrhenius behavior by a factor that depends on the average angle between steps in successive time windows. The correction factor accounts for the fact that on average, successive displacements are negatively correlated, and this effect can therefore be linked directly with the higher apparent activation energy for diffusion at low temperature.

Multilevel geometry optimization

NASA Astrophysics Data System (ADS)

Rodgers, Jocelyn M.; Fast, Patton L.; Truhlar, Donald G.

2000-02-01

Geometry optimization has been carried out for three test molecules using six multilevel electronic structure methods, in particular Gaussian-2, Gaussian-3, multicoefficient G2, multicoefficient G3, and two multicoefficient correlation methods based on correlation-consistent basis sets. In the Gaussian-2 and Gaussian-3 methods, various levels are added and subtracted with unit coefficients, whereas the multicoefficient Gaussian-x methods involve noninteger parameters as coefficients. The multilevel optimizations drop the average error in the geometry (averaged over the 18 cases) by a factor of about two when compared to the single most expensive component of a given multilevel calculation, and in all 18 cases the accuracy of the atomization energy for the three test molecules improves; with an average improvement of 16.7 kcal/mol.

Correlation between production performance and feeding behavior of steers on pasture during the rainy-dry transition period.

PubMed

Brandão, Rita K C; de Carvalho, Gleidson G P; Silva, Robério R; Dias, Daniel L S; Mendes, Fabrício B L; Lins, Túlio O J D'A; Pereira, Maria M S; Guimarães, Joanderson O; Tosto, Manuela S L; Rufino, Luana M de A; de Araujo, Maria L G M L

2018-01-01

The aim of this study was to evaluate the correlation between production performance and feeding behavior of steers reared on pasture during the rainy-dry transition period. Twenty-two ½ Holstein-Zebu crossbred steers at an average age of 10 months and with an average initial body weight of 234.5 ± 16.0 kg were distributed in a completely randomized design with two types of supplementation and eleven replications. Pearson's linear correlation analysis was performed between behavioral variables and weight gain and feed conversion. Correlation coefficients were tested by the t test. The time expended feeding at the trough was positively correlated (P < 0.05) with average daily gain (ADG) and with the number of periods of permanence at the trough. Bite rate and the number of bites per day were positively correlated (P < 0.05) with ADG and negatively (P < 0.05) with feed conversion, unlike the number of bites per swallow, which was negatively correlated (P < 0.05) with ADG. There was a positive correlation (P < 0.05) between feed efficiency in dry matter and neutral detergent fiber and ADG. Feeding behavior characteristics have little association with the production performance of cattle on pasture receiving mineral or energy-protein supplementation.

A comparison of the coupled cluster and internally contracted averaged coupled-pair functional levels of theory for the calculation of the MCH2(+) binding energies for M = Sc to Cu

NASA Technical Reports Server (NTRS)

Bauschlicher, Charles W., Jr.; Partridge, Harry; Scuseria, Gustavo E.

1992-01-01

The correlation contribution to the M-C binding energy for the MCH2(+) systems can exceed 100 kcal/mol. At the self-consistent field (SCF) level, these systems can be more than 50 kcal/mol above the fragment energies. In spite of the poor zeroth-order reference, the coupled cluster single and double excitation method with a perturbational estimate of triple excitations, CCSD(T), method is shown to provide an accurate description of these systems. The maximum difference between the CCSD(T) and internally contracted averaged coupled-pair functional binding energies is 1.5 kcal/mol for CrCH2(+), with the remaining systems agreeing to within 1.0 kcal/mol.

Determination of the attractive force, adhesive force, adhesion energy and Hamaker constant of soot particles generated from a premixed methane/oxygen flame by AFM

NASA Astrophysics Data System (ADS)

Liu, Ye; Song, Chonglin; Lv, Gang; Chen, Nan; Zhou, Hua; Jing, Xiaojun

2018-03-01

Atomic force microscopy (AFM) was used to characterize the attractive force, adhesive force and adhesion energy between an AFM probe tip and nanometric soot particle generated by a premixed methane/oxygen flame. Different attractive force distributions were found when increasing the height above burner (HAB), with forces ranging from 1.1-3.5 nN. As the HAB was increased, the average attractive force initially increased, briefly decreased, and then underwent a gradual increase, with a maximum of 2.54 nN observed at HAB = 25 mm. The mean adhesive force was 6.5-7.5 times greater than the mean attractive force at the same HAB, and values were in the range of 13.5-24.5 nN. The adhesion energy was in the range of 2.0-5.6 × 10-17 J. The variations observed in the average adhesion energy with increasing HAB were different from those of the average adhesion force, implying that the stretched length of soot particles is an important factor affecting the average adhesion energy. The Hamaker constants of the soot particles generated at different HABs were determined from AFM force-separation curves. The average Hamaker constant exhibited a clear correlation with the graphitization degree of soot particles as obtained from Raman spectroscopy.

[Analysis of hydrodynamics parameters of runoff erosion and sediment-yielding on unpaved road].

PubMed

Huang, Peng-Fei; Wang, Wen-Long; Luo, Ting; Wang, Zhen; Wang, Zheng-Li; Li, Ren

2013-02-01

By the method of field runoff washout experiment, a simulation study was conducted on the relationships between the soil detachment rate and the hydrodynamic parameters on unpaved road, and the related quantitative formulas were established. Under the conditions of different flow discharges and road gradients, the averaged soil detachment rate increased with increasing flow discharge and road gradient, and the relationships between them could be described by a power function. As compared with road gradient, flow discharge had greater effects on the soil detachment rate. The soil detachment rate had a power relation with water flow velocity and runoff kinetic energy, and the runoff kinetic energy was of importance to the soil detachment rate. The soil detachment rate was linearly correlated with the unit runoff kinetic energy. The averaged soil erodibility was 0.120 g m-1.J-F-1, and the averaged critical unit runoff kinetic energy was 2.875 g.m-1.J-1. Flow discharge, road gradient, and unit runoff kinetic energy could be used to accurately describe the soil erosion process and calculate the soil erosion rate on unpaved road.

Improving Signal-to-Noise Ratio in Scanning Transmission Electron Microscopy Energy-Dispersive X-Ray (STEM-EDX) Spectrum Images Using Single-Atomic-Column Cross-Correlation Averaging.

PubMed

Jeong, Jong Seok; Mkhoyan, K Andre

2016-06-01

Acquiring an atomic-resolution compositional map of crystalline specimens has become routine practice, thus opening possibilities for extracting subatomic information from such maps. A key challenge for achieving subatomic precision is the improvement of signal-to-noise ratio (SNR) of compositional maps. Here, we report a simple and reliable solution for achieving high-SNR energy-dispersive X-ray (EDX) spectroscopy spectrum images for individual atomic columns. The method is based on standard cross-correlation aided by averaging of single-column EDX maps with modifications in the reference image. It produces EDX maps with minimal specimen drift, beam drift, and scan distortions. Step-by-step procedures to determine a self-consistent reference map with a discussion on the reliability, stability, and limitations of the method are presented here.

Coronae on stars

NASA Technical Reports Server (NTRS)

Haisch, B. M.

1986-01-01

Three lines of evidence are noted to point to a flare heating source for stellar coronae: a strong correlation between time-averaged flare energy release and coronal X-ray luminosity, the high temperature flare-like component of the spectral signature of coronal X-ray emission, and the observed short time scale variability that indicates continuous flare activity. It is presently suggested that flares may represent only the extreme high energy tail of a continuous distribution of coronal energy release events.

The Energy Spectrum of Solar Energetic Electrons

NASA Astrophysics Data System (ADS)

Wang, L.; Yang, L.; Krucker, S.; Wimmer-Schweingruber, R. F.; Bale, S. D.

2015-12-01

Here we present a statistical survey of the energy spectrum of solar energetic electron events (SEEs) observed by the WIND 3DP instrument from 1995 though 2014. For SEEs with the minimum energy below 10 keV and the maximum energy above 100 keV, ~85% (~2%) have a double-power-law energy spectrum with a steepening (hardening) above the break energy, while ~13% have a single-power-law energy spectrum at all energies. The average spectral index is ~2.4 below the energy break and is ~4.0 above the energy break. For SEEs detected only at energies <10 keV (>20 keV), they generally show a single-power-law spectrum with the average index of ~3.0 (~3.3). The spectrum of SEEs detected only below 10 keV appears to get harder with increasing solar activity, but the spectrum of SEEs with higher-energy electrons shows no clear correlation with solar activity. We will also investigate whether the observed energy spectrum of SEEs at 1 AU mainly reflects the electron acceleration at the Sun or the electron transport in the interplanetary medium.

Variations of the TeV energy spectrum at different flux levels of Mkn 421 observed with the HEGRA system of Cherenkov telescopes

NASA Astrophysics Data System (ADS)

Aharonian, F.; Akhperjanian, A.; Beilicke, M.; Bernlöhr, K.; Börst, H.; Bojahr, H.; Bolz, O.; Coarasa, T.; Contreras, J.; Cortina, J.; Costamante, L.; Denninghoff, S.; Fonseca, V.; Girma, M.; Götting, N.; Heinzelmann, G.; Hermann, G.; Heusler, A.; Hofmann, W.; Horns, D.; Jung, I.; Kankanyan, R.; Kestel, M.; Kettler, J.; Kohnle, A.; Konopelko, A.; Kornmeyer, H.; Kranich, D.; Krawczynski, H.; Lampeitl, H.; Lopez, M.; Lorenz, E.; Lucarelli, F.; Mang, O.; Meyer, H.; Mirzoyan, R.; Milite, M.; Moralejo, A.; Ona, E.; Panter, M.; Plyasheshnikov, A.; Pühlhofer, G.; Rauterberg, G.; Reyes, R.; Rhode, W.; Ripken, J.; Rowell, G.; Sahakian, V.; Samorski, M.; Schilling, M.; Siems, M.; Sobzynska, D.; Stamm, W.; Tluczykont, M.; Völk, H. J.; Wiedner, C. A.; Wittek, W.; Remillard, R. A.

2002-10-01

The nearby BL Lacertae (BL Lac) object Markarian 421 (Mkn 421) at a red shift z=0.031 was observed to undergo strong TeV gamma -ray outbursts in the observational periods from December 1999 until May 2001. The time averaged flux level F(E>1 TeV) in the 1999/2000 season was (1.43+/-0.04) x 10-11 ph cm-2 s-1, whereas in the 2000/2001 season the average integral flux increased to (4.19+/-0.04) x 10-11 ph cm-2 s-1. Both energy spectra are curved and well fit by a power law with an exponential cut-off energy at 3.6(+0.4-0.3)_stat(+0.9-0.8)_sys TeV. The respective energy spectra averaged over each of the two time periods indicate a spectral hardening for the 2000/2001 spectrum. The photon index changes from 2.39+/-0.09_stat for 1999/2000 to 2.19+/-0.02_stat in 2000/2001. The energy spectra derived for different average flux levels ranging from 0.5 to 10 x 10-11 ph cm-2 s-1 follow a clear correlation of photon index and flux level. Generally, the energy spectra are harder for high flux levels. From January to April 2001 Mkn 421 showed rapid variability (doubling time as short as 20 min), accompanied with a spectral hardening with increasing flux level within individual nights. For two successive nights (MJD 51989-51991, March 21-23, 2001), this correlation of spectral hardness and change in flux has been observed within a few hours. The cut-off energy for the Mkn 421 TeV spectrum remains within the errors constant for the different flux levels and differs by Delta E=2.6+/-0.6_stat+/-0.6_sys TeV from the value determined for Mkn 501. This indicates that the observed exponential cut-off in the energy spectrum of Mkn 421 is not solely caused by absorption of multi-TeV photons by pair-production processes with photons of the extragalactic near/mid infrared background radiation.

Modeling nexus of urban heat island mitigation strategies with electricity/power usage and consumer costs: a case study for Phoenix, Arizona, USA

NASA Astrophysics Data System (ADS)

Silva, Humberto; Fillpot, Baron S.

2018-01-01

A reduction in both power and electricity usage was determined using a previously validated zero-dimensional energy balance model that implements mitigation strategies used to reduce the urban heat island (UHI) effect. The established model has been applied to show the change in urban characteristic temperature when executing four common mitigation strategies: increasing the overall (1) emissivity, (2) vegetated area, (3) thermal conductivity, and (4) albedo of the urban environment in a series of increases by 5, 10, 15, and 20% from baseline values. Separately, a correlation analysis was performed involving meteorological data and total daily energy (TDE) consumption where the 24-h average temperature was shown to have the greatest correlation to electricity service data in the Phoenix, Arizona, USA, metropolitan region. A methodology was then developed for using the model to predict TDE consumption reduction and corresponding cost-saving analysis when implementing the four mitigation strategies. The four modeled UHI mitigation strategies, taken in combination, would lead to the largest percent reduction in annual energy usage, where increasing the thermal conductivity is the single most effective mitigation strategy. The single least effective mitigation strategy, increasing the emissivity by 5% from the baseline value, resulted in an average calculated reduction of about 1570 GWh in yearly energy usage with a corresponding 157 million dollar cost savings. When the four parameters were increased in unison by 20% from baseline values, an average calculated reduction of about 2050 GWh in yearly energy usage was predicted with a corresponding 205 million dollar cost savings.

Energy flow and energy dissipation in a free surface.

NASA Astrophysics Data System (ADS)

Goldburg, Walter; Cressman, John

2005-11-01

Turbulent flows on a free surface are strongly compressible [1] and do not conserve energy in the absence of viscosity as bulk fluids do. Despite violation of assumptions essential to Kolmogorov's theory of 1941 (K41) [2, 3], surface flows show strong agreement with Kolmogorov scaling, though intermittency is larger there. Steady state turbulence is generated in a tank of water, and the spatially averaged energy flux is measured from the four-fifth's law at each instant of time. Likewise, the energy dissipation rate as measured from velocity gradients is also a random variable in this experiment. The energy flux - dissipation rate cross-correlation is measured to be correlated in incompressible bulk flows, but strongly anti-correlated on the surface. We argue that the reason for this discrepancy between surface and bulk flows is due to compressible effects present on the surface. [1] J. R. Cressman, J. Davoudi, W. I. Goldburg, and J. Schumacher, New Journal of Physics, 6, 53, 2004. [2] U. Frisch. Turbulence: The legacy of A. N. Kolmogorov, Cambridge University Press, Cambridge, 1995. [3] A. N. Kolmogorov, Doklady Akad. Nauk SSSR, 32, 16, 1941.

FEL system with homogeneous average output

DOEpatents

Douglas, David R.; Legg, Robert; Whitney, R. Roy; Neil, George; Powers, Thomas Joseph

2018-01-16

A method of varying the output of a free electron laser (FEL) on very short time scales to produce a slightly broader, but smooth, time-averaged wavelength spectrum. The method includes injecting into an accelerator a sequence of bunch trains at phase offsets from crest. Accelerating the particles to full energy to result in distinct and independently controlled, by the choice of phase offset, phase-energy correlations or chirps on each bunch train. The earlier trains will be more strongly chirped, the later trains less chirped. For an energy recovered linac (ERL), the beam may be recirculated using a transport system with linear and nonlinear momentum compactions M.sub.56, which are selected to compress all three bunch trains at the FEL with higher order terms managed.

Budgets of divergent and rotational kinetic energy during two periods of intense convection

NASA Technical Reports Server (NTRS)

Buechler, D. E.; Fuelberg, H. E.

1986-01-01

The derivations of the energy budget equations for divergent and rotational components of kinetic energy are provided. The intense convection periods studied are: (1) synoptic scale data of 3 or 6 hour intervals and (2) mesoalphascale data every 3 hours. Composite energies and averaged budgets for the periods are presented; the effects of random data errors on derived energy parameters is investigated. The divergent kinetic energy and rotational kinetic energy budgets are compared; good correlation of the data is observed. The kinetic energies and budget terms increase with convective development; however, the conversion of the divergent and rotational energies are opposite.

Communication: Free-energy analysis of hydration effect on protein with explicit solvent: Equilibrium fluctuation of cytochrome c

NASA Astrophysics Data System (ADS)

Karino, Yasuhito; Matubayasi, Nobuyuki

2011-01-01

The relationship between the protein conformation and the hydration effect is investigated for the equilibrium fluctuation of cytochrome c. To elucidate the hydration effect with explicit solvent, the solvation free energy of the protein immersed in water was calculated using the molecular dynamics simulation coupled with the method of energy representation. The variations of the protein intramolecular energy and the solvation free energy are found to compensate each other in the course of equilibrium structural fluctuation. The roles of the attractive and repulsive components in the protein-water interaction are further examined for the solvation free energy. The attractive component represented as the average sum of protein-water interaction energy is dominated by the electrostatic effect and is correlated to the solvation free energy through the linear-response-type relationship. No correlation with the (total) solvation free energy is seen, on the other hand, for the repulsive component expressed as the excluded-volume effect.

Fully quantum-state resolved study of NO{sub 2} photodissociation. Correlated NO({sup 2}{Pi}{sub {Omega}}, {nu} = 0 J,A) + O({sup 3}P{sub j}) distributions

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

Sanov, A.; Bieler, C.R.; Reisler, H.

1995-09-14

Relative O({sup 3}P{sub j} = 2.1.0) spin-orbit populations correlated with specific NO[{sup 2}{Pi}{sub {Omega}} = {1/2}, 3/2; {nu} = 0; f; {Lambda} = {Pi}(A{prime}), {Pi}(A{double_prime})] product states were obtained following photolysis of NO{sub 2} at excess energies E{sup {+-}} = 390, 425, and 1054 cm{sup -1}. These fully quantum state-resolved measurements were carried out by recording spatial profiles of recoiling NO({sup 2}{Pi}{sub {Omega}}, J, {Lambda}) products using polarized radiation for photolysis and state-selective laser ionization detection. The relative O({sup 3}P{sub j}) populations correlated with each NO({sup 2}{Pi}{sub {Omega}}, J, {Lambda}) state show marked fluctuations at each excess energy as amore » function of rotational state and {Lambda}-doublet component. The relative populations also fluctuate as a function of excess energy. The O({sup 3}P{sub j}) spin-orbit population ratios, when averaged over all measurements, exhibit distributions that are colder than statistical, in agreement with previous results. In particular, we find that, on average, O({sup 3}P{sub 1}):O({sup 3}P{sub 2}) population ratios correlated with the ground NO({sup 2}{Pi}{sub {1/2}}) state are colder than the corresponding ratios correlated with the excited NO({sup 2}{Pi}{sub 3/2}) spin-orbit state. These results are in agreement with the state-specific calculations of Katigiri and Kato. 45 refs., 12 figs., 3 tabs.« less

Patterns in food intake correlate with body mass index.

PubMed

Periwal, Vipul; Chow, Carson C

2006-11-01

Quantifying eating behavior may give clues to both the physiological and behavioral mechanisms behind weight regulation. We analyzed year-long dietary records of 29 stable-weight subjects. The records showed wide daily variations of food intake. We computed the temporal autocorrelation and skewness of food intake mass, energy, carbohydrate, fat, and protein. We also computed the cross-correlation coefficient between intake mass and intake energy. The mass of the food intake exhibited long-term trends that were positively skewed, with wide variability among individuals. The average duration of the trends (P = 0.003) and the skewness (P = 0.006) of the food intake mass were significantly correlated with mean body mass index (BMI). We also found that the lower the correlation coefficient between the energy content and the mass of food intake, the higher the BMI. Our results imply that humans in neutral energy balance eating ad libitum exhibit a long-term positive bias in the food intake that operates partially through the mass of food eaten to defend against eating too little more vigorously than eating too much.

Gravitational dynamos and the low-frequency geomagnetic secular variation.

PubMed

Olson, P

2007-12-18

Self-sustaining numerical dynamos are used to infer the sources of low-frequency secular variation of the geomagnetic field. Gravitational dynamo models powered by compositional convection in an electrically conducting, rotating fluid shell exhibit several regimes of magnetic field behavior with an increasing Rayleigh number of the convection, including nearly steady dipoles, chaotic nonreversing dipoles, and chaotic reversing dipoles. The time average dipole strength and dipolarity of the magnetic field decrease, whereas the dipole variability, average dipole tilt angle, and frequency of polarity reversals increase with Rayleigh number. Chaotic gravitational dynamos have large-amplitude dipole secular variation with maximum power at frequencies corresponding to a few cycles per million years on Earth. Their external magnetic field structure, dipole statistics, low-frequency power spectra, and polarity reversal frequency are comparable to the geomagnetic field. The magnetic variability is driven by the Lorentz force and is characterized by an inverse correlation between dynamo magnetic and kinetic energy fluctuations. A constant energy dissipation theory accounts for this inverse energy correlation, which is shown to produce conditions favorable for dipole drift, polarity reversals, and excursions.

Gravitational dynamos and the low-frequency geomagnetic secular variation

PubMed Central

Olson, P.

2007-01-01

Self-sustaining numerical dynamos are used to infer the sources of low-frequency secular variation of the geomagnetic field. Gravitational dynamo models powered by compositional convection in an electrically conducting, rotating fluid shell exhibit several regimes of magnetic field behavior with an increasing Rayleigh number of the convection, including nearly steady dipoles, chaotic nonreversing dipoles, and chaotic reversing dipoles. The time average dipole strength and dipolarity of the magnetic field decrease, whereas the dipole variability, average dipole tilt angle, and frequency of polarity reversals increase with Rayleigh number. Chaotic gravitational dynamos have large-amplitude dipole secular variation with maximum power at frequencies corresponding to a few cycles per million years on Earth. Their external magnetic field structure, dipole statistics, low-frequency power spectra, and polarity reversal frequency are comparable to the geomagnetic field. The magnetic variability is driven by the Lorentz force and is characterized by an inverse correlation between dynamo magnetic and kinetic energy fluctuations. A constant energy dissipation theory accounts for this inverse energy correlation, which is shown to produce conditions favorable for dipole drift, polarity reversals, and excursions. PMID:18048345

Sleep and Food Choice in a Dutch Student Population

PubMed Central

Klinkenberg, Inge P.M.; Aussems, Audrey; Borger, Nedim; Faatz, Vivian; Hak, Anneloes; Houben, Ellen; Ramackers, Joyce; Snackers, Daphne; Kalsbeek, Andries

2015-01-01

Background: The increased risk of obesity among short sleepers is most likely explained by increased energy intake. However, food intake could not only be altered quantitavely but also qualitatively. Therefore, we performed a correlational analysis on self-reported food intake and sleep in 51 students from Maastricht and surroundings. Results: Students that slept longer had a lower caloric intake: ρ = −0.378, p = 0.006, the amount of calories consumed per minute awake remaining relatively stable. However, sleep duration did not correlate with intake of percentage fat, saturated fat, carbohydrates or protein. Average energy intake during the reported breakfasts, lunches, dinners or snacks separately did also not correlate with total sleep time. Conclusion: It seems that shorter sleep correlates with absolute caloric intake, but not with the intake of specific dietary components. PMID:27103932

Multiconfiguration pair-density functional theory: barrier heights and main group and transition metal energetics.

PubMed

Carlson, Rebecca K; Li Manni, Giovanni; Sonnenberger, Andrew L; Truhlar, Donald G; Gagliardi, Laura

2015-01-13

Kohn-Sham density functional theory, resting on the representation of the electronic density and kinetic energy by a single Slater determinant, has revolutionized chemistry, but for open-shell systems, the Kohn-Sham Slater determinant has the wrong symmetry properties as compared to an accurate wave function. We have recently proposed a theory, called multiconfiguration pair-density functional theory (MC-PDFT), in which the electronic kinetic energy and classical Coulomb energy are calculated from a multiconfiguration wave function with the correct symmetry properties, and the rest of the energy is calculated from a density functional, called the on-top density functional, that depends on the density and the on-top pair density calculated from this wave function. We also proposed a simple way to approximate the on-top density functional by translation of Kohn-Sham exchange-correlation functionals. The method is much less expensive than other post-SCF methods for calculating the dynamical correlation energy starting with a multiconfiguration self-consistent-field wave function as the reference wave function, and initial tests of the theory were quite encouraging. Here, we provide a broader test of the theory by applying it to bond energies of main-group molecules and transition metal complexes, barrier heights and reaction energies for diverse chemical reactions, proton affinities, and the water dimerization energy. Averaged over 56 data points, the mean unsigned error is 3.2 kcal/mol for MC-PDFT, as compared to 6.9 kcal/mol for Kohn-Sham theory with a comparable density functional. MC-PDFT is more accurate on average than complete active space second-order perturbation theory (CASPT2) for main-group small-molecule bond energies, alkyl bond dissociation energies, transition-metal-ligand bond energies, proton affinities, and the water dimerization energy.

SU-E-E-16: The Application of Texture Analysis for Differentiation of Central Cancer From Atelectasis

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

Gao, M; Fan, T; Duan, J

2015-06-15

Purpose: Prospectively assess the potential utility of texture analysis for differentiation of central cancer from atelectasis. Methods: 0 consecutive central lung cancer patients who were referred for CT imaging and PET-CT were enrolled. Radiotherapy doctor delineate the tumor and atelectasis according to the fusion imaging based on CT image and PET-CT image. The texture parameters (such as energy, correlation, sum average, difference average, difference entropy), were obtained respectively to quantitatively discriminate tumor and atelectasis based on gray level co-occurrence matrix (GLCM) Results: The texture analysis results showed that the parameters of correlation and sum average had an obviously statistical significance(P<0.05).more » Conclusion: the results of this study indicate that texture analysis may be useful for the differentiation of central lung cancer and atelectasis.« less

Impact of Increasing Home Size on Energy Demand, The

EIA Publications

2012-01-01

Homes built since 1990 are on average 27% larger than homes built in earlier decades, a significant trend because most energy end-uses are correlated with the size of the home. As square footage increases, the burden on heating and cooling equipment rises, lighting requirements increase, and the likelihood that the household uses more than one refrigerator increases. Square footage typically stays fixed over the life of a home and it is a characteristic that is expensive, even impractical to alter to reduce energy consumption.

Accretion powered X-ray pulsars

NASA Technical Reports Server (NTRS)

White, N. E.; Swank, J. H.; Holt, S. S.

1982-01-01

A unified description of the properties of 14 X-ray pulsars is presented and compared with the current theoretical understanding of these systems. The sample extends over six orders of magnitude in luminosity, with the only trend in the phase averaged spectra being that the lower luminosity systems appear to have less abrupt high energy cutoffs. There is no correlation of luminosity with power law index, high energy cutoff energy or iron line EW. Detailed pulse phase spectroscopy is given for five systems.

Frequency distributions and correlations of solar X-ray flare parameters

NASA Technical Reports Server (NTRS)

Crosby, Norma B.; Aschwanden, Markus J.; Dennis, Brian R.

1993-01-01

Frequency distributions of flare parameters are determined from over 12,000 solar flares. The flare duration, the peak counting rate, the peak hard X-ray flux, the total energy in electrons, and the peak energy flux in electrons are among the parameters studied. Linear regression fits, as well as the slopes of the frequency distributions, are used to determine the correlations between these parameters. The relationship between the variations of the frequency distributions and the solar activity cycle is also investigated. Theoretical models for the frequency distribution of flare parameters are dependent on the probability of flaring and the temporal evolution of the flare energy build-up. The results of this study are consistent with stochastic flaring and exponential energy build-up. The average build-up time constant is found to be 0.5 times the mean time between flares.

Measurements of high energy photons in Z-pinch experiments on primary test stand

NASA Astrophysics Data System (ADS)

Si, Fenni; Zhang, Chuanfei; Xu, Rongkun; Yuan, Xi; Huang, Zhanchang; Xu, Zeping; Ye, Fan; Yang, Jianlun; Ning, Jiamin; Hu, Qingyuan; Zhu, Xuebin

2015-08-01

High energy photons are measured for the first time in wire-array Z-pinch experiments on the Primary Test Stand (PTS) which delivers a current up to 8 MA with a rise time of 70 ns. A special designed detecting system composed of three types of detectors is used to measure the average energy, intensity, and pulse waveform of high energy photons. Results from Pb-TLD (thermoluminescence dosimeter) detector indicate that the average energy is 480 keV (±15%). Pulse shape of high energy photons is measured by the photodiode detector consisted of scintillator coupled with a photodiode, and it is correlated with soft x-ray power by the same timing signal. Intensity is measured by both TLD and the photodiode detector, showing good accordance with each other, and it is 1010 cm-2 (±20%) at 2 m in the horizontal direction. Measurement results show that high energy photons are mainly produced in pinch regions due to accelerated electrons. PTS itself also produces high energy photons due to power flow electrons, which is one order smaller in amplitude than those from pinch region.

Measurements of high energy photons in Z-pinch experiments on primary test stand.

PubMed

Si, Fenni; Zhang, Chuanfei; Xu, Rongkun; Yuan, Xi; Huang, Zhanchang; Xu, Zeping; Ye, Fan; Yang, Jianlun; Ning, Jiamin; Hu, Qingyuan; Zhu, Xuebin

2015-08-01

High energy photons are measured for the first time in wire-array Z-pinch experiments on the Primary Test Stand (PTS) which delivers a current up to 8 MA with a rise time of 70 ns. A special designed detecting system composed of three types of detectors is used to measure the average energy, intensity, and pulse waveform of high energy photons. Results from Pb-TLD (thermoluminescence dosimeter) detector indicate that the average energy is 480 keV (±15%). Pulse shape of high energy photons is measured by the photodiode detector consisted of scintillator coupled with a photodiode, and it is correlated with soft x-ray power by the same timing signal. Intensity is measured by both TLD and the photodiode detector, showing good accordance with each other, and it is 10(10) cm(-2) (±20%) at 2 m in the horizontal direction. Measurement results show that high energy photons are mainly produced in pinch regions due to accelerated electrons. PTS itself also produces high energy photons due to power flow electrons, which is one order smaller in amplitude than those from pinch region.

An Analysis of the Economic Effects of U.S. Energy Efficiency Standards

DTIC Science & Technology

1991-06-01

effect, with a supporting income effect. [Ref. 5:pg. 94] A recent study, by Hurst and White, highlights this consumer behavior and outlines the difficulty...of correlating economic savings from energy efficiency to consumer behavior . (Ref. 6:pg. 31] Conclusions from the study revealed that, on average... consumer behavior , utilities had developed consumer rebate programs rewarding efficient appliance purchasers with discounts on their monthly bills. [Ref

Statistical and Spectral Analysis of Wind Characteristics Relevant to Wind Energy Assessment Using Tower Measurements in Complex Terrain

DOE PAGES

Belu, Radian; Koracin, Darko

2013-01-01

The main objective of the study was to investigate spatial and temporal characteristics of the wind speed and direction in complex terrain that are relevant to wind energy assessment and development, as well as to wind energy system operation, management, and grid integration. Wind data from five tall meteorological towers located in Western Nevada, USA, operated from August 2003 to March 2008, used in the analysis. The multiannual average wind speeds did not show significant increased trend with increasing elevation, while the turbulence intensity slowly decreased with an increase were the average wind speed. The wind speed and direction weremore » modeled using the Weibull and the von Mises distribution functions. The correlations show a strong coherence between the wind speed and direction with slowly decreasing amplitude of the multiday periodicity with increasing lag periods. The spectral analysis shows significant annual periodicity with similar characteristics at all locations. The relatively high correlations between the towers and small range of the computed turbulence intensity indicate that wind variability is dominated by the regional synoptic processes. Knowledge and information about daily, seasonal, and annual wind periodicities are very important for wind energy resource assessment, wind power plant operation, management, and grid integration.« less

Geohydrology and evapotranspiration at Franklin Lake playa, Inyo County, California; with a section on estimating evapotranspiration using the energy-budget eddy-correlation technique

USGS Publications Warehouse

Czarnecki, John B.; Stannard, David I.

1997-01-01

Franklin Lake playa is one of the principal discharge areas of the ground-water-flow system associated with Yucca Mountain, Nevada, the potential site of a high-level nuclear-waste repository. By using the energy-budget eddy-correlation technique, measurements made between June 1983 and April 1984 to estimate evapotranspiration were found to range from 0.1 centimeter per day during winter months to about 0.3 centimeter per day during summer months; the annual average was 0.16 centimeter per day. These estimates were compared with evapotranspiration estimates calculated from six other methods.

Characteristics of Tremor During the Entire July 2004 Cascadia Episodic Tremor and Slip event

NASA Astrophysics Data System (ADS)

McCausland, W. A.; Malone, S.; La Rocca, M.; Creager, K.

2005-12-01

The July 2004 Cascadia episodic tremor and slip (ETS) event was recorded and analyzed using three geographically distributed small aperture seismic arrays (600m) located near Sooke, BC, Sequim, WA, and on Lopez Island, WA. We analyzed the tremor sequence in the 1 to 6 Hz frequency band in overlapping windows (12s length)using zero-lag cross correlation and polarization analysis in order to obtain a continuous record of the back-azimuth, slowness, and particle motion of tremor sources throughout the ETS episode. During periods without tremor, the average interstation correlations for each array range between 0.2 and 0.4, and observed azimuths are randomly distributed. During periods of strong tremor, the average correlation for each array is typically between 0.5 and 0.8, and azimuths are stable over periods of minutes. Observed apparent velocities are greater than 4 km/s and polarization analysis indicates that the wave-field is composed primarily of SH-waves, both of which are consistent with a deep source of shear wave energy. Azimuths and slownesses are consistent with previously obtained hypocentral locations and apparent velocities calculated using the relative arrival times of energy bursts on Pacific Northwest Seismograph Network.

Insights into the spurious long-range nature of local rs-dependent non-local exchange-correlation kernels

DOE PAGES

Lu, Deyu

2016-08-05

A systematic route to go beyond the exact exchange plus random phase approximation (RPA) is to include a physical exchange-correlation kernel in the adiabatic-connection fluctuation-dissipation theorem. Previously, [D. Lu, J. Chem. Phys. 140, 18A520 (2014)], we found that non-local kernels with a screening length depending on the local Wigner-Seitz radius, r s(r), suffer an error associated with a spurious long-range repulsion in van der Waals bounded systems, which deteriorates the binding energy curve as compared to RPA. Here, we analyze the source of the error and propose to replace r s(r) by a global, average r s in the kernel.more » Exemplary studies with the Corradini, del Sole, Onida, and Palummo kernel show that while this change does not affect the already outstanding performance in crystalline solids, using an average r s significantly reduces the spurious long-range tail in the exchange-correlation kernel in van der Waals bounded systems. Finally, when this method is combined with further corrections using local dielectric response theory, the binding energy of the Kr dimer is improved three times as compared to RPA.« less

Formation of correlated states and tunneling for a low energy and controlled pulsed action on particles

NASA Astrophysics Data System (ADS)

Vysotskii, V. I.; Vysotskyy, M. V.

2017-08-01

We consider a method for optimizing the tunnel effect for low-energy particles by using coherent correlated states formed under controllable pulsed action on these particles. Typical examples of such actions are the effect of a pulsed magnetic field on charged particles in a gas or plasma. Coherent correlated states are characterized most comprehensively by the correlation coefficient r( t); an increase of this factor elevates the probability of particle tunneling through a high potential barrier by several orders of magnitude without an appreciable increase in their energy. It is shown for the first time that the formation of coherent correlated states, as well as maximal | r( t)|max and time-averaged 〈| r( t)|〉 amplitudes of the correlation coefficient and the corresponding tunneling probability are characterized by a nonmonotonic (oscillating) dependence on the forming pulse duration and amplitude. This result makes it possible to optimize experiments on the realization of low-energy nuclear fusion and demonstrates the incorrectness of the intuitive idea that the tunneling probability always increases with the amplitude of an external action on a particle. Our conclusions can be used, in particular, for explaining random (unpredictable and low-repeatability) experimental results on optimization of energy release from nuclear reactions occurring under a pulsed action with fluctuations of the amplitude and duration. We also consider physical premises for the observed dependences and obtain optimal relations between the aforementioned parameters, which ensure the formation of an optimal coherent correlated state and optimal low-energy tunneling in various physical systems with allowance for the dephasing action of a random force. The results of theoretical analysis are compared with the data of successful experiments on the generation of neutrons and alpha particles in an electric discharge in air and gaseous deuterium.

Extrapolating MP2 and CCSD explicitly correlated correlation energies to the complete basis set limit with first and second row correlation consistent basis sets

NASA Astrophysics Data System (ADS)

Hill, J. Grant; Peterson, Kirk A.; Knizia, Gerald; Werner, Hans-Joachim

2009-11-01

Accurate extrapolation to the complete basis set (CBS) limit of valence correlation energies calculated with explicitly correlated MP2-F12 and CCSD(T)-F12b methods have been investigated using a Schwenke-style approach for molecules containing both first and second row atoms. Extrapolation coefficients that are optimal for molecular systems containing first row elements differ from those optimized for second row analogs, hence values optimized for a combined set of first and second row systems are also presented. The new coefficients are shown to produce excellent results in both Schwenke-style and equivalent power-law-based two-point CBS extrapolations, with the MP2-F12/cc-pV(D,T)Z-F12 extrapolations producing an average error of just 0.17 mEh with a maximum error of 0.49 for a collection of 23 small molecules. The use of larger basis sets, i.e., cc-pV(T,Q)Z-F12 and aug-cc-pV(Q,5)Z, in extrapolations of the MP2-F12 correlation energy leads to average errors that are smaller than the degree of confidence in the reference data (˜0.1 mEh). The latter were obtained through use of very large basis sets in MP2-F12 calculations on small molecules containing both first and second row elements. CBS limits obtained from optimized coefficients for conventional MP2 are only comparable to the accuracy of the MP2-F12/cc-pV(D,T)Z-F12 extrapolation when the aug-cc-pV(5+d)Z and aug-cc-pV(6+d)Z basis sets are used. The CCSD(T)-F12b correlation energy is extrapolated as two distinct parts: CCSD-F12b and (T). While the CCSD-F12b extrapolations with smaller basis sets are statistically less accurate than those of the MP2-F12 correlation energies, this is presumably due to the slower basis set convergence of the CCSD-F12b method compared to MP2-F12. The use of larger basis sets in the CCSD-F12b extrapolations produces correlation energies with accuracies exceeding the confidence in the reference data (also obtained in large basis set F12 calculations). It is demonstrated that the use of the 3C(D) Ansatz is preferred for MP2-F12 CBS extrapolations. Optimal values of the geminal Slater exponent are presented for the diagonal, fixed amplitude Ansatz in MP2-F12 calculations, and these are also recommended for CCSD-F12b calculations.

Upside/Downside statistical mechanics of nonequilibrium Brownian motion. I. Distributions, moments, and correlation functions of a free particle.

PubMed

Craven, Galen T; Nitzan, Abraham

2018-01-28

Statistical properties of Brownian motion that arise by analyzing, separately, trajectories over which the system energy increases (upside) or decreases (downside) with respect to a threshold energy level are derived. This selective analysis is applied to examine transport properties of a nonequilibrium Brownian process that is coupled to multiple thermal sources characterized by different temperatures. Distributions, moments, and correlation functions of a free particle that occur during upside and downside events are investigated for energy activation and energy relaxation processes and also for positive and negative energy fluctuations from the average energy. The presented results are sufficiently general and can be applied without modification to the standard Brownian motion. This article focuses on the mathematical basis of this selective analysis. In subsequent articles in this series, we apply this general formalism to processes in which heat transfer between thermal reservoirs is mediated by activated rate processes that take place in a system bridging them.

Upside/Downside statistical mechanics of nonequilibrium Brownian motion. I. Distributions, moments, and correlation functions of a free particle

NASA Astrophysics Data System (ADS)

Craven, Galen T.; Nitzan, Abraham

2018-01-01

Statistical properties of Brownian motion that arise by analyzing, separately, trajectories over which the system energy increases (upside) or decreases (downside) with respect to a threshold energy level are derived. This selective analysis is applied to examine transport properties of a nonequilibrium Brownian process that is coupled to multiple thermal sources characterized by different temperatures. Distributions, moments, and correlation functions of a free particle that occur during upside and downside events are investigated for energy activation and energy relaxation processes and also for positive and negative energy fluctuations from the average energy. The presented results are sufficiently general and can be applied without modification to the standard Brownian motion. This article focuses on the mathematical basis of this selective analysis. In subsequent articles in this series, we apply this general formalism to processes in which heat transfer between thermal reservoirs is mediated by activated rate processes that take place in a system bridging them.

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

Belu, Radian; Koracin, Darko

The main objective of the study was to investigate spatial and temporal characteristics of the wind speed and direction in complex terrain that are relevant to wind energy assessment and development, as well as to wind energy system operation, management, and grid integration. Wind data from five tall meteorological towers located in Western Nevada, USA, operated from August 2003 to March 2008, used in the analysis. The multiannual average wind speeds did not show significant increased trend with increasing elevation, while the turbulence intensity slowly decreased with an increase were the average wind speed. The wind speed and direction weremore » modeled using the Weibull and the von Mises distribution functions. The correlations show a strong coherence between the wind speed and direction with slowly decreasing amplitude of the multiday periodicity with increasing lag periods. The spectral analysis shows significant annual periodicity with similar characteristics at all locations. The relatively high correlations between the towers and small range of the computed turbulence intensity indicate that wind variability is dominated by the regional synoptic processes. Knowledge and information about daily, seasonal, and annual wind periodicities are very important for wind energy resource assessment, wind power plant operation, management, and grid integration.« less

Cerebella segmentation on MR images of pediatric patients with medulloblastoma

NASA Astrophysics Data System (ADS)

Shan, Zu Y.; Ji, Qing; Glass, John; Gajjar, Amar; Reddick, Wilburn E.

2005-04-01

In this study, an automated method has been developed to identify the cerebellum from T1-weighted MR brain images of patients with medulloblastoma. A new objective function that is similar to Gibbs free energy in classic physics was defined; and the brain structure delineation was viewed as a process of minimizing Gibbs free energy. We used a rigid-body registration and an active contour (snake) method to minimize the Gibbs free energy in this study. The method was applied to 20 patient data sets to generate cerebellum images and volumetric results. The generated cerebellum images were compared with two manually drawn results. Strong correlations were found between the automatically and manually generated volumetric results, the correlation coefficients with each of manual results were 0.971 and 0.974, respectively. The average Jaccard similarities with each of two manual results were 0.89 and 0.88, respectively. The average Kappa indexes with each of two manual results were 0.94 and 0.93, respectively. These results showed this method was both robust and accurate for cerebellum segmentation. The method may be applied to various research and clinical investigation in which cerebellum segmentation and quantitative MR measurement of cerebellum are needed.

Correlations between U.S. county annual cancer incidence and population density.

PubMed

Vares, David Ae; St-Pierre, Linda S; Persinger, Michael A

2015-01-01

Population density implicitly involves specific distances between living individuals who exhibit biophysical forces and energies. Objective was to investigate major data bases of cancer incidence and population data to help understand the emergent properties of diseases that become apparent only when large populations and areas are considered. Correlation analyses of the annual incidence (years 2007 to 2011) of cancer in counties (2,885) of the U.S. and population densities were convergent with these quantitative predictions and suggested an inflection threshold around 50 people per square mile. The potential role of subtle or even "non-local" factors coupled to averaged population density in the viability and mortality of the human species may serve as alternative explanations to the attribution of malignancy to "chance" factors. Calculations indicated average distances between the electric force dipole of the brains or bodies of human beings generate forces known to affect DNA extension and when distributed over the Compton wavelength of the electron could produce energies sufficient to affect the binding of base nucleotides. An inclusive science of human ecology might benefit from considering subtle forces and energies associated with the individual members within the habitat that could determine the probability of cellular anomalies.

Interaction-component analysis of the hydration and urea effects on cytochrome c

NASA Astrophysics Data System (ADS)

Yamamori, Yu; Ishizuka, Ryosuke; Karino, Yasuhito; Sakuraba, Shun; Matubayasi, Nobuyuki

2016-02-01

Energetics was analyzed for cytochrome c in pure-water solvent and in a urea-water mixed solvent to elucidate the solvation effect in the structural variation of the protein. The solvation free energy was computed through all-atom molecular dynamics simulation combined with the solution theory in the energy representation, and its correlations were examined over sets of protein structures against the electrostatic and van der Waals components in the average interaction energy of the protein with the solvent and the excluded-volume component in the solvation free energy. It was observed in pure-water solvent that the solvation free energy varies in parallel to the electrostatic component with minor roles played by the van der Waals and excluded-volume components. The effect of urea on protein structure was then investigated in terms of the free-energy change upon transfer of the protein solute from pure-water solvent to the urea-water mixed solvent. The decomposition of the transfer free energy into the contributions from urea and water showed that the urea contribution is partially canceled by the water contribution and governs the total free energy of transfer. When correlated against the change in the solute-solvent interaction energy upon transfer and the corresponding changes in the electrostatic, van der Waals, and excluded-volume components, the transfer free energy exhibited strong correlations with the total change in the solute-solvent energy and its van der Waals component. The solute-solvent energy was decomposed into the contributions from the protein backbone and side chain, furthermore, and neither of the contributions was seen to be decisive in the correlation to the transfer free energy.

Effects of geometrical structure on spatial distribution of thermal energy in two-dimensional triangular lattices

NASA Astrophysics Data System (ADS)

Liu, Yong-Yang; Xu, Yu-Liang; Liu, Zhong-Qiang; Li, Jing; Wang, Chun-Yang; Kong, Xiang-Mu

2018-07-01

Employing the correlation matrix technique, the spatial distribution of thermal energy in two-dimensional triangular lattices in equilibrium, interacting with linear springs, is studied. It is found that the spatial distribution of thermal energy varies with the included angle of the springs. In addition, the average thermal energy of the longer springs is lower. Springs with different included angle and length will lead to an inhomogeneous spatial distribution of thermal energy. This suggests that the spatial distribution of thermal energy is affected by the geometrical structure of the system: the more asymmetric the geometrical structure of the system is, the more inhomogeneous is the spatial distribution of thermal energy.

Explicit correlation treatment of the six-dimensional potential energy surface and predicted infrared spectra for OCS-H2

NASA Astrophysics Data System (ADS)

Liu, Jing-Min; Zhai, Yu; Li, Hui

2017-07-01

An effective six-dimensional ab initio potential energy surface (PES) for H2-OCS which explicitly includes the intramolecular stretch normal modes of carbonyl sulfide (OCS) is presented. The electronic structure computations are carried out using the explicitly correlated coupled cluster [CCSD(T)-F12] method with the augmented correlation-consistent aug-cc-pVTZ basis set, and the accuracy is critically tested by performing a series of benchmark calculations. Analytic four-dimensional PESs are obtained by least-squares fitting vibrationally averaged interaction energies to the Morse/long-range potential model. These fits to 13 485 points have a root-mean-square deviation (RMSD) of 0.16 cm-1. The combined radial discrete variable representation/angular finite basis representation method and the Lanczos algorithm were employed to evaluate the rovibrational energy levels for five isotopic species of the OCS-hydrogen complexes. The predicted transition frequencies and intensities based on the resulting vibrationally averaged PESs are in good agreement with the available experimental values, whose RMSDs are smaller than 0.004 cm-1 for five different species of OCS-hydrogen complexes. The calculated infrared band origin shifts for all five species of OCS-hydrogen complexes are only 0.03 cm-1 smaller than the corresponding experimental values. These validate the high quality of our PESs which can be used for modeling OCS doped in hydrogen clusters to further study quantum solution and microscopic superfluidity. In addition, the analytic coordinate transformation functions between isotopologues are also derived due to the center of mass shifting of different isotope substitutes.

Conformationally averaged vertical detachment energy of finite size NO3(-)·nH2O clusters: a route connecting few to many.

PubMed

Pathak, Arup Kumar; Samanta, Alok Kumar; Maity, Dilip Kumar

2011-04-07

We report conformationally averaged VDEs (VDE(w)(n)) for different sizes of NO(3)(-)·nH(2)O clusters calculated by using uncorrelated HF, correlated hybrid density functional (B3LYP, BHHLYP) and correlated ab intio (MP2 and CCSD(T)) theory. It is observed that the VDE(w)(n) at the B3LYP/6-311++G(d,p), B3LYP/Aug-cc-Pvtz and CCSD(T)/6-311++G(d,p) levels is very close to the experimentally measured VDE. It is shown that the use of calculated results of the conformationally averaged VDE for small-sized solvated negatively-charged clusters and a microscopic theory-based general expression for the same provides a route to obtain the VDE for a wide range of cluster sizes, including bulk.

Improved continuum lowering calculations in screened hydrogenic model with l-splitting for high energy density systems

NASA Astrophysics Data System (ADS)

Ali, Amjad; Shabbir Naz, G.; Saleem Shahzad, M.; Kouser, R.; Aman-ur-Rehman; Nasim, M. H.

2018-03-01

The energy states of the bound electrons in high energy density systems (HEDS) are significantly affected due to the electric field of the neighboring ions. Due to this effect bound electrons require less energy to get themselves free and move into the continuum. This phenomenon of reduction in potential is termed as ionization potential depression (IPD) or the continuum lowering (CL). The foremost parameter to depict this change is the average charge state, therefore accurate modeling for CL is imperative in modeling atomic data for computation of radiative and thermodynamic properties of HEDS. In this paper, we present an improved model of CL in the screened hydrogenic model with l-splitting (SHML) proposed by G. Faussurier and C. Blancard, P. Renaudin [High Energy Density Physics 4 (2008) 114] and its effect on average charge state. We propose the level charge dependent calculation of CL potential energy and inclusion of exchange and correlation energy in SHML. By doing this, we made our model more relevant to HEDS and free from CL empirical parameter to the plasma environment. We have implemented both original and modified model of SHML in our code named OPASH and benchmark our results with experiments and other state-of-the-art simulation codes. We compared our results of average charge state for Carbon, Beryllium, Aluminum, Iron and Germanium against published literature and found a very reasonable agreement between them.

Real-valued composite filters for correlation-based optical pattern recognition

NASA Technical Reports Server (NTRS)

Rajan, P. K.; Balendra, Anushia

1992-01-01

Advances in the technology of optical devices such as spatial light modulators (SLMs) have influenced the research and growth of optical pattern recognition. In the research leading to this report, the design of real-valued composite filters that can be implemented using currently available SLMs for optical pattern recognition and classification was investigated. The design of real-valued minimum average correlation energy (RMACE) filter was investigated. Proper selection of the phase of the output response was shown to reduce the correlation energy. The performance of the filter was evaluated using computer simulations and compared with the complex filters. It was found that the performance degraded only slightly. Continuing the above investigation, the design of a real filter that minimizes the output correlation energy and the output variance due to noise was developed. Simulation studies showed that this filter had better tolerance to distortion and noise compared to that of the RMACE filter. Finally, the space domain design of RMACE filter was developed and implemented on the computer. It was found that the sharpness of the correlation peak was slightly reduced but the filter design was more computationally efficient than the complex filter.

Extracting p Λ scattering lengths from heavy ion collisions

NASA Astrophysics Data System (ADS)

Shapoval, V. M.; Erazmus, B.; Lednicky, R.; Sinyukov, Yu. M.

2015-09-01

The source radii previously extracted by the STAR Collaboration from the p -Λ ⊕p ¯-Λ ¯ and p ¯-Λ ⊕p -Λ ¯ correlation functions measured in 10% most central Au+Au collisions at top Relativistic Heavy Ion Collider (RHIC) energy, √{sN N}=200 GeV, differ by a factor of 2. The probable reason for this is the neglect of residual correlation effect in the STAR analysis. In the present paper we analyze baryon correlation functions within the Lednický and Lyuboshitz analytical model, extended to effectively account for the residual correlation contribution. Different analytical approximations for such a contribution are considered. We also use the averaged source radii extracted from hydrokinetic model (HKM) simulations to fit the experimental data. In contrast to the STAR experimental study, the calculations in HKM show both p Λ and p Λ ¯ radii to be quite close, as expected from theoretical considerations. Using the effective Gaussian parametrization of residual correlations we obtain a satisfactory fit to the measured baryon-antibaryon correlation function with the HKM source radius value 3.28 fm. The baryon-antibaryon spin-averaged strong interaction scattering length is also extracted from the fit to the experimental correlation function.

Radiation mapping on Spacelab 1: Experiment no. INS006

NASA Technical Reports Server (NTRS)

Benton, E. V.; Frank, A.; Cassou, R.; Henke, R.; Rowe, V.

1985-01-01

The first attempt at mapping the radiation environment inside Spacelab is described. Measurements were made by a set of passive radiation detectors distributed throughout the volume inside the Spacelab 1 module, in the access tunnel and outside on the pallet. Measurements of the low linear energy transfer (LET) component obtained from the TLD thermoluminescent detectors (TLD) ranged from 92 to 134 mrad, yielding an average low LET dose rate of 10.0 mrads/day inside the module. Because of the higher inclination orbit, substantial fluxes of highly ionizing (HZE particles) high charge and energy galactic cosmic rays were observed for the first time on an STS flight, yielding an overall average mission dose-equivalent of 295 mrem, or 29.5 mrem/day, which is about three times higher than that measured on previous STS missions. Little correlation is found between measured average dose rates or HZE fluences and the estimates shielding throughout the volume of the module.

Correlation consistent basis sets for lanthanides: The atoms La–Lu

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

Lu, Qing; Peterson, Kirk A., E-mail: kipeters@wsu.edu

Using the 3rd-order Douglas-Kroll-Hess (DKH3) Hamiltonian, all-electron correlation consistent basis sets of double-, triple-, and quadruple-zeta quality have been developed for the lanthanide elements La through Lu. Basis sets designed for the recovery of valence correlation (defined here as 4f5s5p5d6s), cc-pVnZ-DK3, and outer-core correlation (valence + 4s4p4d), cc-pwCVnZ-DK3, are reported (n = D, T, and Q). Systematic convergence of both Hartree-Fock and correlation energies towards their respective complete basis set (CBS) limits are observed. Benchmark calculations of the first three ionization potentials (IPs) of La through Lu are reported at the DKH3 coupled cluster singles and doubles with perturbative triples,more » CCSD(T), level of theory, including effects of correlation down through the 4s electrons. Spin-orbit coupling is treated at the 2-component HF level. After extrapolation to the CBS limit, the average errors with respect to experiment were just 0.52, 1.14, and 4.24 kcal/mol for the 1st, 2nd, and 3rd IPs, respectively, compared to the average experimental uncertainties of 0.03, 1.78, and 2.65 kcal/mol, respectively. The new basis sets are also used in CCSD(T) benchmark calculations of the equilibrium geometries, atomization energies, and heats of formation for Gd{sub 2}, GdF, and GdF{sub 3}. Except for the equilibrium geometry and harmonic frequency of GdF, which are accurately known from experiment, all other calculated quantities represent significant improvements compared to the existing experimental quantities. With estimated uncertainties of about ±3 kcal/mol, the 0 K atomization energies (298 K heats of formation) are calculated to be (all in kcal/mol): 33.2 (160.1) for Gd{sub 2}, 151.7 (−36.6) for GdF, and 447.1 (−295.2) for GdF{sub 3}.« less

Colloids exposed to random potential energy landscapes: From particle number density to particle-potential and particle-particle interactions

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

Bewerunge, Jörg; Capellmann, Ronja F.; Platten, Florian

2016-07-28

Colloidal particles were exposed to a random potential energy landscape that has been created optically via a speckle pattern. The mean particle density as well as the potential roughness, i.e., the disorder strength, were varied. The local probability density of the particles as well as its main characteristics were determined. For the first time, the disorder-averaged pair density correlation function g{sup (1)}(r) and an analogue of the Edwards-Anderson order parameter g{sup (2)}(r), which quantifies the correlation of the mean local density among disorder realisations, were measured experimentally and shown to be consistent with replica liquid state theory results.

Adaptive radiotherapy for NSCLC patients: utilizing the principle of energy conservation to evaluate dose mapping operations

NASA Astrophysics Data System (ADS)

Zhong, Hualiang; Chetty, Indrin J.

2017-06-01

Tumor regression during the course of fractionated radiotherapy confounds the ability to accurately estimate the total dose delivered to tumor targets. Here we present a new criterion to improve the accuracy of image intensity-based dose mapping operations for adaptive radiotherapy for patients with non-small cell lung cancer (NSCLC). Six NSCLC patients were retrospectively investigated in this study. An image intensity-based B-spline registration algorithm was used for deformable image registration (DIR) of weekly CBCT images to a reference image. The resultant displacement vector fields were employed to map the doses calculated on weekly images to the reference image. The concept of energy conservation was introduced as a criterion to evaluate the accuracy of the dose mapping operations. A finite element method (FEM)-based mechanical model was implemented to improve the performance of the B-Spline-based registration algorithm in regions involving tumor regression. For the six patients, deformed tumor volumes changed by 21.2  ±  15.0% and 4.1  ±  3.7% on average for the B-Spline and the FEM-based registrations performed from fraction 1 to fraction 21, respectively. The energy deposited in the gross tumor volume (GTV) was 0.66 Joules (J) per fraction on average. The energy derived from the fractional dose reconstructed by the B-spline and FEM-based DIR algorithms in the deformed GTV’s was 0.51 J and 0.64 J, respectively. Based on landmark comparisons for the 6 patients, mean error for the FEM-based DIR algorithm was 2.5  ±  1.9 mm. The cross-correlation coefficient between the landmark-measured displacement error and the loss of radiation energy was  -0.16 for the FEM-based algorithm. To avoid uncertainties in measuring distorted landmarks, the B-Spline-based registrations were compared to the FEM registrations, and their displacement differences equal 4.2  ±  4.7 mm on average. The displacement differences were correlated to their relative loss of radiation energy with a cross-correlation coefficient equal to 0.68. Based on the principle of energy conservation, the FEM-based mechanical model has a better performance than the B-Spline-based DIR algorithm. It is recommended that the principle of energy conservation be incorporated into a comprehensive QA protocol for adaptive radiotherapy.

Effect of anode shape on correlation of neutron emission with pinch energy for a 2.7 kJ Mather-type plasma focus device

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

Hussain, S. S.; Murtaza, Ghulam; Zakaullah, M.

Correlation of neutron emission with pinch energy for a Mather-type plasma focus energized by a single capacitor 12.5 muF, 21 kV (2.7 kJ) is investigated by employing time resolved and time integrated detectors for two different anode shapes. The maximum average neutron yield of about 1.3x10{sup 8} per shot is recorded with cylindrical anode, that increases to 1.6x10{sup 8} per shot for tapered anode. At optimum pressure the input energy converted to pinch energy is about 24% for cylindrical anode as compared to 36% for tapered anode. It is found that the tapered anode enhances neutron flux about 25+-5% bothmore » in axial and radial directions and also broadens the pressure range for neutron emission as well as pinch energy. The neutron yield and optimum gas filling pressures are found strongly dependent on the anode shape.« less

Correlation between core ion energization, suprathermal electron bursts, and broadband ELF plasma waves

NASA Astrophysics Data System (ADS)

Knudsen, David J.; Clemmons, James H.; Wahlund, Jan-Erik

1998-03-01

Observations of the lowest energy or core ions provide a particularly sensitive measure of the early stages of auroral ion energization. Freja satellite observations of 0-20 eV core ions in the topside auroral ionosphere and cusp/cleft show signs of heating within both regions of VLF hiss and broadband ELF plasma waves. However, heating to several eV or more is associated predominantly with the ELF waves. A correlation analysis of wave and core ion data formed from orbital segments shows that, on average, correlations are highest for wave frequencies below several hundred Hz, and less at VLF hiss frequencies. A similar analysis shows a higher correlation between electron precipitation and ion heating for electron energies below several hundred eV (i.e., the energies associated with suprathermal electron bursts) and a lower correlation above the 1 keV energies associated with auroral inverted-V's. Signs of core ion heating begin to appear when wave power at the O+ gyrofrequency exceeds about 10-3(mVm-1)2/Hz, and when the integrated field-aligned electron flux exceeds a few times 107cm-2s-1sr-1. This electron energy flux threshold is at least an order of magnitude lower than previously inferred from earlier studies comparing suprathermal electron fluxes and energetic ions. Almost all observed heating events occur during enhanced or active geomagnetic conditions; i.e., Kp>=4. While the most intense core ion heating is correlated with broadband ELF waves, we also present one example of weak ion heating of a few eV in a region of VLF auroral hiss.

Probabilistic models for capturing more physicochemical properties on protein-protein interface.

PubMed

Guo, Fei; Li, Shuai Cheng; Du, Pufeng; Wang, Lusheng

2014-06-23

Protein-protein interactions play a key role in a multitude of biological processes, such as signal transduction, de novo drug design, immune responses, and enzymatic activities. It is of great interest to understand how proteins interact with each other. The general approach is to explore all possible poses and identify near-native ones with the energy function. The key issue here is to design an effective energy function, based on various physicochemical properties. In this paper, we first identify two new features, the coupled dihedral angles on the interfaces and the geometrical information on π-π interactions. We study these two features through statistical methods: a mixture of bivariate von Mises distributions is used to model the correlation of the coupled dihedral angles, while a mixture of bivariate normal distributions is used to model the orientation of the aromatic rings on π-π interactions. Using 6438 complexes, we parametrize the joint distribution of each new feature. Then, we propose a novel method to construct the energy function for protein-protein interface prediction, which includes the new features as well as the existing energy items such as dDFIRE energy, side-chain energy, atom contact energy, and amino acid energy. Experiments show that our method outperforms the state-of-the-art methods, ZRANK and ClusPro. We use the CAPRI evaluation criteria, Irmsd value, and Fnat value. On Benchmark v4.0, our method has an average Irmsd value of 3.39 Å and Fnat value of 62%, which improves upon the average Irmsd value of 3.89 Å and Fnat value of 49% for ZRANK, and the average Irmsd value of 3.99 Å and Fnat value of 46% for ClusPro. On the CAPRI targets, our method has an average Irmsd value of 3.56 Å and Fnat value of 42%, which improves upon the average Irmsd value of 4.27 Å and Fnat value of 39% for ZRANK, the average Irmsd value of 5.15 Å and Fnat value of 30% for ClusPro.

Competition model for aperiodic stochastic resonance in a Fitzhugh-Nagumo model of cardiac sensory neurons.

PubMed

Kember, G C; Fenton, G A; Armour, J A; Kalyaniwalla, N

2001-04-01

Regional cardiac control depends upon feedback of the status of the heart from afferent neurons responding to chemical and mechanical stimuli as transduced by an array of sensory neurites. Emerging experimental evidence shows that neural control in the heart may be partially exerted using subthreshold inputs that are amplified by noisy mechanical fluctuations. This amplification is known as aperiodic stochastic resonance (ASR). Neural control in the noisy, subthreshold regime is difficult to see since there is a near absence of any correlation between input and the output, the latter being the average firing (spiking) rate of the neuron. This lack of correlation is unresolved by traditional energy models of ASR since these models are unsuitable for identifying "cause and effect" between such inputs and outputs. In this paper, the "competition between averages" model is used to determine what portion of a noisy, subthreshold input is responsible, on average, for the output of sensory neurons as represented by the Fitzhugh-Nagumo equations. A physiologically relevant conclusion of this analysis is that a nearly constant amount of input is responsible for a spike, on average, and this amount is approximately independent of the firing rate. Hence, correlation measures are generally reduced as the firing rate is lowered even though neural control under this model is actually unaffected.

Inter-relationships among alternative definitions of feed efficiency in grazing lactating dairy cows.

PubMed

Hurley, A M; López-Villalobos, N; McParland, S; Kennedy, E; Lewis, E; O'Donovan, M; Burke, J L; Berry, D P

2016-01-01

International interest in feed efficiency, and in particular energy intake and residual energy intake (REI), is intensifying due to a greater global demand for animal-derived protein and energy sources. Feed efficiency is a trait of economic importance, and yet is overlooked in national dairy cow breeding goals. This is due primarily to a lack of accurate data on commercial animals, but also a lack of clarity on the most appropriate definition of the feed intake and utilization complex. The objective of the present study was to derive alternative definitions of energetic efficiency in grazing lactating dairy cows and to quantify the inter-relationships among these alternative definitions. Net energy intake (NEI) from pasture and concentrate intake was estimated up to 8 times per lactation for 2,693 lactations from 1,412 Holstein-Friesian cows. Energy values of feed were based on the French Net Energy system where 1 UFL is the net energy requirements for lactation equivalent of 1kg of air-dry barley. A total of 8,183 individual feed intake measurements were available. Energy balance was defined as the difference between NEI and energy expenditure. Efficiency traits were either ratio-based or residual-based; the latter were derived from least squares regression models. Residual energy intake was defined as NEI minus predicted energy to fulfill the requirements for the various energy sinks. The energy sinks (e.g., NEL, metabolic live weight) and additional contributors to energy kinetics (e.g., live weight loss) combined, explained 59% of the variation in NEI, implying that REI represented 41% of the variance in total NEI. The most efficient 10% of test-day records, as defined by REI (n=709), on average were associated with a 7.59 UFL/d less NEI (average NEI of the entire population was 16.23 UFL/d) than the least efficient 10% of test-day records based on REI (n=709). Additionally, the most efficient 10% of test-day records, as defined by REI, were associated with superior energy conversion efficiency (ECE, i.e., NEL divided by NEI; ECE=0.55) compared with the least efficient 10% of test-day records (ECE=0.33). Moreover, REI was positively correlated with energy balance, implying that more negative REI animals (i.e., deemed more efficient) are expected to be, on average, in greater negative energy balance. Many of the correlations among the 14 defined efficiency traits differed from unity, implying that each trait is measuring a different aspect of efficiency. Copyright © 2016 American Dairy Science Association. Published by Elsevier Inc. All rights reserved.

Study of the production of charged pions, kaons, and protons in pPb collisions at $$\\sqrt{s_{NN}} =\\; $$ s N N = 5.02 $$\\,\\text {TeV}$$ TeV

DOE PAGES

Chatrchyan, S.; Khachatryan, V.; Sirunyan, A. M.; ...

2014-06-01

Spectra of identified charged hadrons are measured in pPb collisions with the CMS detector at the LHC at sqrt(sNN) = 5.02 TeV. Charged pions, kaons, and protons in the transverse-momentum range pt approximately 0.1-1.7 GeV and laboratory rapidity abs(y) < 1 are identified via their energy loss in the silicon tracker. The average pt increases with particle mass and the charged multiplicity of the event. The increase of the average pt with charged multiplicity is greater for heavier hadrons. Comparisons to Monte Carlo event generators reveal that EPOS LHC, which incorporates additional hydrodynamic evolution of the created system, is ablemore » to reproduce most of the data features, unlike HIJING and AMPT. The pt spectra and integrated yields are also compared to those measured in pp and PbPb collisions at various energies. The average transverse momentum and particle ratio measurements indicate that particle production at LHC energies is strongly correlated with event particle multiplicity.« less

Study of the production of charged pions, kaons, and protons in pPb collisions at [Formula: see text]5.02[Formula: see text].

PubMed

Chatrchyan, S; Khachatryan, V; Sirunyan, A M; Tumasyan, A; Adam, W; Bergauer, T; Dragicevic, M; Erö, J; Fabjan, C; Friedl, M; Frühwirth, R; Ghete, V M; Hörmann, N; Hrubec, J; Jeitler, M; Kiesenhofer, W; Knünz, V; Krammer, M; Krätschmer, I; Liko, D; Mikulec, I; Rabady, D; Rahbaran, B; Rohringer, C; Rohringer, H; Schöfbeck, R; Strauss, J; Taurok, A; Treberer-Treberspurg, W; Waltenberger, W; Wulz, C-E; Mossolov, V; Shumeiko, N; Suarez Gonzalez, J; Alderweireldt, S; Bansal, M; Bansal, S; Cornelis, T; De Wolf, E A; Janssen, X; Knutsson, A; Luyckx, S; Mucibello, L; Ochesanu, S; Roland, B; Rougny, R; Staykova, Z; Van Haevermaet, H; Van Mechelen, P; Van Remortel, N; Van Spilbeeck, A; Blekman, F; Blyweert, S; D'Hondt, J; Kalogeropoulos, A; Keaveney, J; Maes, M; Olbrechts, A; Tavernier, S; Van Doninck, W; Van Mulders, P; Van Onsem, G P; Villella, I; Caillol, C; Clerbaux, B; De Lentdecker, G; Favart, L; Gay, A P R; Hreus, T; Léonard, A; Marage, P E; Mohammadi, A; Perniè, L; Reis, T; Seva, T; Thomas, L; Van der Velde, C; Vanlaer, P; Wang, J; Adler, V; Beernaert, K; Benucci, L; Cimmino, A; Costantini, S; Dildick, S; Garcia, G; Klein, B; Lellouch, J; Marinov, A; Mccartin, J; Rios, A A Ocampo; Ryckbosch, D; Sigamani, M; Strobbe, N; Thyssen, F; Tytgat, M; Walsh, S; Yazgan, E; Zaganidis, N; Basegmez, S; Beluffi, C; Bruno, G; Castello, R; Caudron, A; Ceard, L; Delaere, C; du Pree, T; Favart, D; Forthomme, L; Giammanco, A; Hollar, J; Jez, P; Lemaitre, V; Liao, J; Militaru, O; Nuttens, C; Pagano, D; Pin, A; Piotrzkowski, K; Popov, A; Selvaggi, M; Garcia, J M Vizan; Beliy, N; Caebergs, T; Daubie, E; Hammad, G H; Alves, G A; Martins Junior, M Correa; Martins, T; Pol, M E; Souza, M H G; Aldá Júnior, W L; Carvalho, W; Chinellato, J; Custódio, A; Da Costa, E M; De Jesus Damiao, D; De Oliveira Martins, C; De Souza, S Fonseca; Malbouisson, H; Malek, M; Figueiredo, D Matos; Mundim, L; Nogima, H; Da Silva, W L Prado; Santoro, A; Sznajder, A; Manganote, E J Tonelli; Pereira, A Vilela; Dias, F A; Tomei, T R Fernandez Perez; Lagana, C; Novaes, S F; Padula, Sandra S; Bernardes, C A; Gregores, E M; Mercadante, P G; Genchev, V; Iaydjiev, P; Piperov, S; Rodozov, M; Sultanov, G; Vutova, M; Dimitrov, A; Hadjiiska, R; Kozhuharov, V; Litov, L; Pavlov, B; Petkov, P; Bian, J G; Chen, G M; Chen, H S; Jiang, C H; Liang, D; Liang, S; Meng, X; Tao, J; Wang, X; Wang, Z; Xiao, H; Xu, M; Asawatangtrakuldee, C; Ban, Y; Guo, Y; Li, W; Liu, S; Mao, Y; Qian, S J; Teng, H; Wang, D; Zhang, L; Zou, W; Avila, C; Montoya, C A Carrillo; Sierra, L F Chaparro; Gomez, J P; Moreno, B Gomez; Sanabria, J C; Godinovic, N; Lelas, D; Plestina, R; Polic, D; Puljak, I; Antunovic, Z; Kovac, M; Brigljevic, V; Duric, S; Kadija, K; Luetic, J; Mekterovic, D; Morovic, S; Tikvica, L; Attikis, A; Mavromanolakis, G; Mousa, J; Nicolaou, C; Ptochos, F; Razis, P A; Finger, M; Finger, M; Abdelalim, A A; Assran, Y; Elgammal, S; Ellithi Kamel, A; Mahmoud, M A; Radi, A; Kadastik, M; Müntel, M; Murumaa, M; Raidal, M; Rebane, L; Tiko, A; Eerola, P; Fedi, G; Voutilainen, M; Härkönen, J; Karimäki, V; Kinnunen, R; Kortelainen, M J; Lampén, T; Lassila-Perini, K; Lehti, S; Lindén, T; Luukka, P; Mäenpää, T; Peltola, T; Tuominen, E; Tuominiemi, J; Tuovinen, E; Wendland, L; Tuuva, T; Besancon, M; Couderc, F; Dejardin, M; Denegri, D; Fabbro, B; Faure, J L; Ferri, F; Ganjour, S; Givernaud, A; Gras, P; de Monchenault, G Hamel; Jarry, P; Locci, E; Malcles, J; Millischer, L; Nayak, A; Rander, J; Rosowsky, A; Titov, M; Baffioni, S; Beaudette, F; Benhabib, L; Bluj, M; Busson, P; Charlot, C; Daci, N; Dahms, T; Dalchenko, M; Dobrzynski, L; Florent, A; de Cassagnac, R Granier; Haguenauer, M; Miné, P; Mironov, C; Naranjo, I N; Nguyen, M; Ochando, C; Paganini, P; Sabes, D; Salerno, R; Sirois, Y; Veelken, C; Zabi, A; Agram, J-L; Andrea, J; Bloch, D; Brom, J-M; Chabert, E C; Collard, C; Conte, E; Drouhin, F; Fontaine, J-C; Gelé, D; Goerlach, U; Goetzmann, C; Juillot, P; Le Bihan, A-C; Van Hove, P; Gadrat, S; Beauceron, S; Beaupere, N; Boudoul, G; Brochet, S; Chasserat, J; Chierici, R; 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Bergholz, M; Bethani, A; Borras, K; Burgmeier, A; Cakir, A; Calligaris, L; Campbell, A; Choudhury, S; Costanza, F; Diez Pardos, C; Dooling, S; Dorland, T; Eckerlin, G; Eckstein, D; Flucke, G; Geiser, A; Glushkov, I; Gunnellini, P; Habib, S; Hauk, J; Hellwig, G; Horton, D; Jung, H; Kasemann, M; Katsas, P; Kleinwort, C; Kluge, H; Krämer, M; Krücker, D; Kuznetsova, E; Lange, W; Leonard, J; Lipka, K; Lohmann, W; Lutz, B; Mankel, R; Marfin, I; Melzer-Pellmann, I-A; Meyer, A B; Mnich, J; Mussgiller, A; Naumann-Emme, S; Novgorodova, O; Nowak, F; Olzem, J; Perrey, H; Petrukhin, A; Pitzl, D; Placakyte, R; Raspereza, A; Cipriano, P M Ribeiro; Riedl, C; Ron, E; Sahin, M Ö; Salfeld-Nebgen, J; Schmidt, R; Schoerner-Sadenius, T; Sen, N; Stein, M; Walsh, R; Wissing, C; Blobel, V; Enderle, H; Erfle, J; Garutti, E; Gebbert, U; Görner, M; Gosselink, M; Haller, J; Heine, K; Höing, R S; Kaussen, G; Kirschenmann, H; Klanner, R; Kogler, R; Lange, J; Marchesini, I; Peiffer, T; Pietsch, N; Rathjens, D; Sander, C; 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Gao, Y; Gottschalk, E; Gray, L; Green, D; Gutsche, O; Hare, D; Harris, R M; Hirschauer, J; Hooberman, B; Jindariani, S; Johnson, M; Joshi, U; Kaadze, K; Klima, B; Kunori, S; Kwan, S; Linacre, J; Lincoln, D; Lipton, R; Lykken, J; Maeshima, K; Marraffino, J M; Outschoorn, V I Martinez; Maruyama, S; Mason, D; McBride, P; Mishra, K; Mrenna, S; Musienko, Y; Newman-Holmes, C; O'Dell, V; Prokofyev, O; Ratnikova, N; Sexton-Kennedy, E; Sharma, S; Spalding, W J; Spiegel, L; Taylor, L; Tkaczyk, S; Tran, N V; Uplegger, L; Vaandering, E W; Vidal, R; Whitmore, J; Wu, W; Yang, F; Yun, J C; Acosta, D; Avery, P; Bourilkov, D; Chen, M; Cheng, T; Das, S; De Gruttola, M; Di Giovanni, G P; Dobur, D; Drozdetskiy, A; Field, R D; Fisher, M; Fu, Y; Furic, I K; Hugon, J; Kim, B; Konigsberg, J; Korytov, A; Kropivnitskaya, A; Kypreos, T; Low, J F; Matchev, K; Milenovic, P; Mitselmakher, G; Muniz, L; Remington, R; Rinkevicius, A; Skhirtladze, N; Snowball, M; Yelton, J; Zakaria, M; Gaultney, V; Hewamanage, S; Linn, S; Markowitz, P; Martinez, G; Rodriguez, J L; Adams, T; Askew, A; Bochenek, J; Chen, J; Diamond, B; Gleyzer, S V; Haas, J; Hagopian, S; Hagopian, V; Johnson, K F; Prosper, H; Veeraraghavan, V; Weinberg, M; Baarmand, M M; Dorney, B; Hohlmann, M; Kalakhety, H; Yumiceva, F; Adams, M R; Apanasevich, L; Bazterra, V E; Betts, R R; Bucinskaite, I; Callner, J; Cavanaugh, R; Evdokimov, O; Gauthier, L; Gerber, C E; Hofman, D J; Khalatyan, S; Kurt, P; Lacroix, F; Moon, D H; O'Brien, C; Silkworth, C; Strom, D; Turner, P; Varelas, N; Akgun, U; Albayrak, E A; Bilki, B; Clarida, W; Dilsiz, K; Duru, F; Griffiths, S; Merlo, J-P; Mermerkaya, H; Mestvirishvili, A; Moeller, A; Nachtman, J; Newsom, C R; Ogul, H; Onel, Y; Ozok, F; Sen, S; Tan, P; Tiras, E; Wetzel, J; Yetkin, T; Yi, K; Barnett, B A; Blumenfeld, B; Bolognesi, S; Giurgiu, G; Gritsan, A V; Hu, G; Maksimovic, P; Martin, C; Swartz, M; Whitbeck, A; Baringer, P; Bean, A; Benelli, G; Kenny, R P; Murray, M; Noonan, D; Sanders, S; Stringer, R; Wood, J S; Barfuss, A F; Chakaberia, I; Ivanov, A; Khalil, S; Makouski, M; Maravin, Y; Shrestha, S; Svintradze, I; Gronberg, J; Lange, D; Rebassoo, F; Wright, D; Baden, A; Calvert, B; Eno, S C; Gomez, J A; Hadley, N J; Kellogg, R G; Kolberg, T; Lu, Y; Marionneau, M; Mignerey, A C; Pedro, K; Peterman, A; Skuja, A; Temple, J; Tonjes, M B; Tonwar, S C; Apyan, A; Bauer, G; Busza, W; Cali, I A; Chan, M; Di Matteo, L; Dutta, V; Gomez Ceballos, G; Goncharov, M; Gulhan, D; Kim, Y; Klute, M; Lai, Y S; Levin, A; Luckey, P D; Ma, T; Nahn, S; Paus, C; Ralph, D; Roland, C; Roland, G; Stephans, G S F; Stöckli, F; Sumorok, K; Velicanu, D; Wolf, R; Wyslouch, B; Yang, M; Yilmaz, Y; Yoon, A S; Zanetti, M; Zhukova, V; Dahmes, B; De Benedetti, A; Franzoni, G; Gude, A; Haupt, J; Kao, S C; Klapoetke, K; Kubota, Y; Mans, J; Pastika, N; Rusack, R; Sasseville, M; Singovsky, A; Tambe, N; Turkewitz, J; Acosta, J G; Cremaldi, L M; Kroeger, R; Oliveros, S; Perera, L; Rahmat, R; Sanders, D A; Summers, D; Avdeeva, E; Bloom, K; Bose, S; Claes, D R; Dominguez, A; Eads, M; Suarez, R Gonzalez; Keller, J; Kravchenko, I; Lazo-Flores, J; Malik, S; Meier, F; Snow, G R; Dolen, J; Godshalk, A; Iashvili, I; Jain, S; Kharchilava, A; Kumar, A; Rappoccio, S; Wan, Z; Alverson, G; Barberis, E; Baumgartel, D; Chasco, M; Haley, J; Massironi, A; Nash, D; Orimoto, T; Trocino, D; Wood, D; Zhang, J; Anastassov, A; Hahn, K A; Kubik, A; Lusito, L; Mucia, N; Odell, N; Pollack, B; Pozdnyakov, A; Schmitt, M; Stoynev, S; Sung, K; Velasco, M; Won, S; Berry, D; Brinkerhoff, A; Chan, K M; Hildreth, M; Jessop, C; Karmgard, D J; Kolb, J; Lannon, K; Luo, W; Lynch, S; Marinelli, N; Morse, D M; Pearson, T; Planer, M; Ruchti, R; Slaunwhite, J; Valls, N; Wayne, M; Wolf, M; Antonelli, L; Bylsma, B; Durkin, L S; Hill, C; Hughes, R; Kotov, K; Ling, T Y; Puigh, D; Rodenburg, M; Smith, G; Vuosalo, C; Winer, B L; Wolfe, H; Berry, E; Elmer, P; Halyo, V; Hebda, P; Hegeman, J; Hunt, A; Jindal, P; Koay, S A; Lujan, P; Marlow, D; Medvedeva, T; Mooney, M; Olsen, J; Piroué, P; Quan, X; Raval, A; Saka, H; Stickland, D; Tully, C; Werner, J S; Zenz, S C; Zuranski, A; Brownson, E; Lopez, A; Mendez, H; Ramirez Vargas, J E; Alagoz, E; Benedetti, D; Bolla, G; Bortoletto, D; De Mattia, M; Everett, A; Hu, Z; Jones, M; Jung, K; Koybasi, O; Kress, M; Leonardo, N; Lopes Pegna, D; Maroussov, V; Merkel, P; Miller, D H; Neumeister, N; Shipsey, I; Silvers, D; Svyatkovskiy, A; Vidal Marono, M; Wang, F; Xie, W; Xu, L; Yoo, H D; Zablocki, J; Zheng, Y; Guragain, S; Parashar, N; Adair, A; Akgun, B; Ecklund, K M; Geurts, F J M; Padley, B P; Redjimi, R; Roberts, J; Zabel, J; Betchart, B; Bodek, A; Covarelli, R; de Barbaro, P; Demina, R; Eshaq, Y; Ferbel, T; Garcia-Bellido, A; Goldenzweig, P; Han, J; Harel, A; Miner, D C; Petrillo, G; Vishnevskiy, D; Zielinski, M; Bhatti, A; Ciesielski, R; Demortier, L; Goulianos, K; Lungu, G; Malik, S; Mesropian, C; Arora, S; Barker, A; Chou, J P; Contreras-Campana, C; Contreras-Campana, E; Duggan, D; Ferencek, D; Gershtein, Y; Gray, R; Halkiadakis, E; Hidas, D; Lath, A; Panwalkar, S; Park, M; Patel, R; Rekovic, V; Robles, J; Salur, S; Schnetzer, S; Seitz, C; Somalwar, S; Stone, R; Thomas, S; Thomassen, P; Walker, M; Cerizza, G; Hollingsworth, M; Rose, K; Spanier, S; Yang, Z C; York, A; Bouhali, O; Eusebi, R; Flanagan, W; Gilmore, J; Kamon, T; Khotilovich, V; Montalvo, R; Osipenkov, I; Pakhotin, Y; Perloff, A; Roe, J; Safonov, A; Sakuma, T; Suarez, I; Tatarinov, A; Toback, D; Akchurin, N; Cowden, C; Damgov, J; Dragoiu, C; Dudero, P R; Jeong, C; Kovitanggoon, K; Lee, S W; Libeiro, T; Volobouev, I; Appelt, E; Delannoy, A G; Greene, S; Gurrola, A; Johns, W; Maguire, C; Melo, A; Sharma, M; Sheldon, P; Snook, B; Tuo, S; Velkovska, J; Arenton, M W; Boutle, S; Cox, B; Francis, B; Goodell, J; Hirosky, R; Ledovskoy, A; Lin, C; Neu, C; Wood, J; Gollapinni, S; Harr, R; Karchin, P E; Don, C Kottachchi Kankanamge; Lamichhane, P; Sakharov, A; Belknap, D A; Borrello, L; Carlsmith, D; Cepeda, M; Dasu, S; Friis, E; Grothe, M; Hall-Wilton, R; Herndon, M; Hervé, A; Klabbers, P; Klukas, J; Lanaro, A; Loveless, R; Mohapatra, A; Mozer, M U; Ojalvo, I; Pierro, G A; Polese, G; Ross, I; Savin, A; Smith, W H; Swanson, J

Spectra of identified charged hadrons are measured in pPb collisions with the CMS detector at the LHC at [Formula: see text]. Charged pions, kaons, and protons in the transverse-momentum range [Formula: see text]-1.7[Formula: see text] and laboratory rapidity [Formula: see text] are identified via their energy loss in the silicon tracker. The average [Formula: see text] increases with particle mass and the charged multiplicity of the event. The increase of the average [Formula: see text] with charged multiplicity is greater for heavier hadrons. Comparisons to Monte Carlo event generators reveal that Epos Lhc, which incorporates additional hydrodynamic evolution of the created system, is able to reproduce most of the data features, unlike Hijing and Ampt. The [Formula: see text] spectra and integrated yields are also compared to those measured in pp and PbPb collisions at various energies. The average transverse momentum and particle ratio measurements indicate that particle production at LHC energies is strongly correlated with event particle multiplicity.

Generalized nonequilibrium vertex correction method in coherent medium theory for quantum transport simulation of disordered nanoelectronics

NASA Astrophysics Data System (ADS)

Yan, Jiawei; Ke, Youqi

2016-07-01

Electron transport properties of nanoelectronics can be significantly influenced by the inevitable and randomly distributed impurities/defects. For theoretical simulation of disordered nanoscale electronics, one is interested in both the configurationally averaged transport property and its statistical fluctuation that tells device-to-device variability induced by disorder. However, due to the lack of an effective method to do disorder averaging under the nonequilibrium condition, the important effects of disorders on electron transport remain largely unexplored or poorly understood. In this work, we report a general formalism of Green's function based nonequilibrium effective medium theory to calculate the disordered nanoelectronics. In this method, based on a generalized coherent potential approximation for the Keldysh nonequilibrium Green's function, we developed a generalized nonequilibrium vertex correction method to calculate the average of a two-Keldysh-Green's-function correlator. We obtain nine nonequilibrium vertex correction terms, as a complete family, to express the average of any two-Green's-function correlator and find they can be solved by a set of linear equations. As an important result, the averaged nonequilibrium density matrix, averaged current, disorder-induced current fluctuation, and averaged shot noise, which involve different two-Green's-function correlators, can all be derived and computed in an effective and unified way. To test the general applicability of this method, we applied it to compute the transmission coefficient and its fluctuation with a square-lattice tight-binding model and compared with the exact results and other previously proposed approximations. Our results show very good agreement with the exact results for a wide range of disorder concentrations and energies. In addition, to incorporate with density functional theory to realize first-principles quantum transport simulation, we have also derived a general form of conditionally averaged nonequilibrium Green's function for multicomponent disorders.

GRB physics and cosmology with peak energy-intensity correlations

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

Sawant, Disha, E-mail: sawant@fe.infn.it; University of Nice, 28 Avenue Valrose, Nice 06103; IRAP Erasmus PhD Program, European Union and INAF - IASF Bologna, Via P. Gobetti 101, Bologna 41125

Gamma Ray Bursts (GRBs) are immensely energetic explosions radiating up to 10{sup 54} erg of energy isotropically (E{sub iso}) and they are observed within a wide range of redshift (from ∼ 0.01 up to ∼ 9). Such enormous power and high redshift point at these phenomena being highly favorable to investigate the history and evolution of our universe. The major obstacle in their application as cosmological study-tools is to find a way to standardize the GRBs, for instance similar to SNe Ia. With respect to this goal, the correlation between spectral peak energy (E{sub p,i}) and the “intensity” is amore » positively useful and investigated criterion. Moreover, it has been demonstrated that, through the E{sub p,i} – E{sub iso} correlation, the current data set of GRBs can already contribute to the independent evidence of the matter density Ω{sub M} being ∼ 0.3 for a flat universe scenario. We try to inspect and compare the correlations of E{sub p,i} with different intensity indicators (e.g., radiated energy, average and peak luminosity, bolometric vs. monochromatic quantities, etc.) both in terms of intrinsic dispersion and precise estimation of Ω{sub M}. The outcome of such studies are further analyzed in verifying the reliability of the correlations for both GRB physics and their standardization for cosmology.« less

Parity doublet structures in doubly-odd 216Fr

NASA Astrophysics Data System (ADS)

Pragati, Â.; Deo, A. Y.; Tandel, S. K.; Bhattacharjee, S. S.; Chakraborty, S.; Rai, S.; Wahid, S. G.; Kumar, S.; Muralithar, S.; Singh, R. P.; Bala, Indu; Garg, Ritika; Jain, A. K.

2018-04-01

Parity doublet structures are established in 216Fr, which lies at the lower boundary of enhanced octupole collectivity in the trans-lead region. The newly identified levels are established as the simplex partner of a previously reported band leading to parity doublets with small (˜55 keV) average energy splitting, a feature typical of nuclei with near-static octupole deformation. The observed levels do not follow a regular pattern of rotational bands, indicating low quadrupole collectivity. However, enhanced octupole correlations are evident from the small energy splitting and large B(E1)/B(E2) values. Staggering in E1 transition energies and B(E1)/B(E2) ratios is noted. The enhancement of octupole correlations in 216Fr is attributed to the availability of a neutron orbital with a K = 3/2 component.

Abundance and Source Population of Suprathermal Heavy Ions in Corotating Interaction Regions

NASA Astrophysics Data System (ADS)

Jensema, R. J.; Desai, M. I.; Broiles, T. W.; Dayeh, M. A.

2015-12-01

In this study we analyze the abundances of suprathermal heavy ions in 75 Corotating Interaction Region (CIR) events between January 1st 1995 and December 31st 2008. We correlate the heavy ion abundances in these CIRs with those measured in the solar wind and suprathermal populations upstream of these events. Our analysis reveals that the CIR suprathermal heavy ion abundances vary by nearly two orders of magnitude over the solar activity cycle, with higher abundances (e.g., Fe/O) occurring during solar maximum and depleted values occurring during solar minimum. The abundances are also energy dependent, with larger abundances at higher energies, particularly during solar maximum. Following the method used by Mason et al. 2008, we correlate the CIR abundances with the corresponding solar wind and suprathermal values measured during 6-hour intervals for upstream periods spanning 10 days prior to the start of each CIR event. This correlation reveals that suprathermal heavy ions are better correlated with upstream suprathermal abundances measured at the same energy compared with the solar wind heavy ion abundances. Using the 6-hour averaging method, we also identified timeframes of maximum correlation between the CIR and the upstream suprathermal abundances, and find that the time of maximum correlation depends on the energy of the suprathermal ions. We discuss the implications of these results in terms of previous studies of CIR and suprathermal particles, and CIR seed populations and acceleration mechanisms.

Electronic, elastic and optical properties of divalent (R+2X) and trivalent (R+3X) rare earth monochalcogenides

NASA Astrophysics Data System (ADS)

Kumar, V.; Chandra, S.; Singh, J. K.

2017-08-01

Based on plasma oscillations theory of solids, simple relations have been proposed for the calculation of bond length, specific gravity, homopolar energy gap, heteropolar energy gap, average energy gap, crystal ionicity, bulk modulus, electronic polarizability and dielectric constant of rare earth divalent R+2X and trivalent R+3X monochalcogenides. The specific gravity of nine R+2X, twenty R+3X, and bulk modulus of twenty R+3X monochalcogenides have been calculated for the first time. The calculated values of all parameters are compared with the available experimental and the reported values. A fairly good agreement has been obtained between them. The average percentage deviation of two parameters: bulk modulus and electronic polarizability for which experimental data are known, have also been calculated and found to be better than the earlier correlations.

Dispersion and thermal properties of lithium aluminum silicate glasses doped with Cr3+ ions

NASA Astrophysics Data System (ADS)

El-Diasty, Fouad; Abdel-Baki, Manal; Abdel Wahab, Fathy A.; Darwish, Hussein

2006-10-01

A series of new lithium aluminum silicate (LAS) glass systems doped with chromium ion is prepared. The reflectance and transmittance of the glass slabs are recorded. By means of an iteration procedure, the glass refractive index n and the extinction coefficient k and their dispersions are obtained. Across a wide spectral range of 0.2-1.6 μm, the dispersion curves are used to determine the atomic and quantum constants of the prepared glasses. These findings provide the average oscillator wavelength, the average oscillator strength, oscillator energy, dispersion energy, lattice energy, and material dispersion of the glass materials to be calculated. For optical waveguide applications, the wavelength for zero material dispersion is obtained. Dilatometric measurements are performed and the thermal expansion coefficient is calculated to throw some light on the thermo-optical properties of the present glasses correlating them with their structure and the presence of nonbridging oxygen ions.

Identification of scalp EEG circadian variation using a novel correlation sum measure

NASA Astrophysics Data System (ADS)

Shahidi Zandi, Ali; Boudreau, Philippe; Boivin, Diane B.; Dumont, Guy A.

2015-10-01

Objective. In this paper, we propose a novel method to determine the circadian variation of scalp electroencephalogram (EEG) in both individual and group levels using a correlation sum measure, quantifying self-similarity of the EEG relative energy across waking epochs. Approach. We analysed EEG recordings from central-parietal and occipito-parietal montages in nine healthy subjects undergoing a 72 h ultradian sleep-wake cycle protocol. Each waking epoch (˜1 s) of every nap opportunity was decomposed using the wavelet packet transform, and the relative energy for that epoch was calculated in the desired frequency band using the corresponding wavelet coefficients. Then, the resulting set of energy values was resampled randomly to generate different subsets with equal number of elements. The correlation sum of each subset was then calculated over a range of distance thresholds, and the average over all subsets was computed. This average value was finally scaled for each nap opportunity and considered as a new circadian measure. Main results. According to the evaluation results, a clear circadian rhythm was identified in some EEG frequency ranges, particularly in 4-8 Hz and 10-12 Hz. The correlation sum measure not only was able to disclose the circadian rhythm on the group data but also revealed significant circadian variations in most individual cases, as opposed to previous studies only reporting the circadian rhythms on a population of subjects. Compared to a naive measure based on the EEG absolute energy in the frequency band of interest, the proposed measure showed a clear superiority using both individual and group data. Results also suggested that the acrophase (i.e., the peak) of the circadian rhythm in 10-12 Hz occurs close to the core body temperature minimum. Significance. These results confirm the potential usefulness of the proposed EEG-based measure as a non-invasive circadian marker.

Estimate of oxygen consumption and intracellular zinc concentration of human spermatozoa in relation to motility.

PubMed

Henkel, Ralf R; Defosse, Kerstin; Koyro, Hans-Wilhelm; Weissmann, Norbert; Schill, Wolf-Bernhard

2003-03-01

To investigate the human sperm oxygen/energy consumption and zinc content in relation to motility. In washed spermatozoa from 67 ejaculates, the oxygen consumption was determined. Following calculation of the total oxygen consumed by the Ideal Gas Law, the energy consumption of spermatozoa was calculated. In addition, the zinc content of the sperm was determined using an atomic absorption spectrometer. The resulting data were correlated to the vitality and motility. The oxygen consumption averaged 0.24 micromol/10(6) sperm x 24h, 0.28 micromol/10(6) live sperm x 24h and 0.85 micromol/10(6) live motile sperm x 24h. Further calculations revealed that sperm motility was the most energy consuming process (164.31 mJ/10(6) motile spermatozoa x 24h), while the oxygen consumption of the total spermatozoa was 46.06 mJ/10(6) spermatozoa x 24h. The correlation of the oxygen/energy consumption and zinc content with motility showed significant negative correlations (r= -0.759; P<0.0001 and r=-0.441; P<0.0001, respectively). However, when correlating sperm energy consumption with the zinc content, a significant positive relation (r=0.323; P=0.01) was observed. Poorly motile sperm are actually wasting the available energy. Moreover, our data clearly support the "Geometric Clutch Model" of the axoneme function and demonstrate the importance of the outer dense fibers for the generation of sperm motility, especially progressive motility.

The web-buffet--development and validation of an online tool to measure food choice.

PubMed

Bucher, Tamara; Keller, Carmen

2015-08-01

To date, no data exist on the agreement of food choice measured using an online tool with subsequent actual consumption. This needs to be shown before food choice, measured by means of an online tool, is used as a dependent variable to examine intake in the general population. A 'web-buffet' was developed to assess food choice. Choice was measured as planned meal composition from photographic material; respondents chose preferred foods and proportions for a main meal (out of a possible 144 combinations) online and the validity was assessed by comparison of a meal composed from a web-buffet with actual food intake 24-48 h later. Furthermore, correlations of food preferences, energy needs and health interest with meals chosen from the web-buffet were analysed. Students: n 106 (Study I), n 32 (Study II). Meals chosen from the web-buffet (mean = 2998 kJ, SD = 471 kJ) agreed with actual consumption (rs = 0.63, P < 0.001) but were on average 367 kJ (10.5%) lower in energy than consumed meals (mean = 3480 kJ, SD = 755 kJ). Preferences were highly associated with chosen amounts and health interest was negatively correlated with the energy selected (rs = -0.40, P<0.001). Meal composition choice in the web-buffet agrees sufficiently well with actual intake to measure food choice as a dependent variable in online surveys. However, we found an average underestimation of subsequent consumption. High correlations of preferences with chosen amounts and an inverse association of health interest with total energy further indicate the validity of the tool. Applications in behavioural nutrition research are discussed.

The estimation method on diffusion spot energy concentration of the detection system

NASA Astrophysics Data System (ADS)

Gao, Wei; Song, Zongxi; Liu, Feng; Dan, Lijun; Sun, Zhonghan; Du, Yunfei

2016-09-01

We propose a method to estimate the diffusion spot energy of the detection system. We do outdoor observation experiments in Xinglong Observatory, by using a detection system which diffusion spot energy concentration is estimated (the correlation coefficient is approximate 0.9926).The aperture of system is 300mm and limiting magnitude of system is 14.15Mv. Observation experiments show that the highest detecting magnitude of estimated system is 13.96Mv, and the average detecting magnitude of estimated system is about 13.5Mv. The results indicate that this method can be used to evaluate the energy diffusion spot concentration level of detection system efficiently.

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

Lu, Deyu

A systematic route to go beyond the exact exchange plus random phase approximation (RPA) is to include a physical exchange-correlation kernel in the adiabatic-connection fluctuation-dissipation theorem. Previously, [D. Lu, J. Chem. Phys. 140, 18A520 (2014)], we found that non-local kernels with a screening length depending on the local Wigner-Seitz radius, r s(r), suffer an error associated with a spurious long-range repulsion in van der Waals bounded systems, which deteriorates the binding energy curve as compared to RPA. Here, we analyze the source of the error and propose to replace r s(r) by a global, average r s in the kernel.more » Exemplary studies with the Corradini, del Sole, Onida, and Palummo kernel show that while this change does not affect the already outstanding performance in crystalline solids, using an average r s significantly reduces the spurious long-range tail in the exchange-correlation kernel in van der Waals bounded systems. Finally, when this method is combined with further corrections using local dielectric response theory, the binding energy of the Kr dimer is improved three times as compared to RPA.« less

The Hurst exponent in energy futures prices

NASA Astrophysics Data System (ADS)

Serletis, Apostolos; Rosenberg, Aryeh Adam

2007-07-01

This paper extends the work in Elder and Serletis [Long memory in energy futures prices, Rev. Financial Econ., forthcoming, 2007] and Serletis et al. [Detrended fluctuation analysis of the US stock market, Int. J. Bifurcation Chaos, forthcoming, 2007] by re-examining the empirical evidence for random walk type behavior in energy futures prices. In doing so, it uses daily data on energy futures traded on the New York Mercantile Exchange, over the period from July 2, 1990 to November 1, 2006, and a statistical physics approach-the ‘detrending moving average’ technique-providing a reliable framework for testing the information efficiency in financial markets as shown by Alessio et al. [Second-order moving average and scaling of stochastic time series, Eur. Phys. J. B 27 (2002) 197-200] and Carbone et al. [Time-dependent hurst exponent in financial time series. Physica A 344 (2004) 267-271; Analysis of clusters formed by the moving average of a long-range correlated time series. Phys. Rev. E 69 (2004) 026105]. The results show that energy futures returns display long memory and that the particular form of long memory is anti-persistence.

Budget of Turbulent Kinetic Energy in a Shock Wave Boundary-Layer Interaction

NASA Technical Reports Server (NTRS)

Vyas, Manan; Waindim, Mbu; Gaitonde, Datta

2016-01-01

Implicit large-eddy simulation (ILES) of a shock wave boundary-layer interaction (SBLI) was performed. Quantities present in the exact equation of the turbulent kinetic energy (TKE) transport were accumulated. These quantities will be used to calculate the components of TKE-like production, dissipation, transport, and dilatation. Correlations of these terms will be presented to study the growth and interaction between various terms. A comparison with its RANS (Reynolds-Averaged Navier-Stokes) counterpart will also be presented.

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

Clarke, S. D.; Wieger, B. M.; Enqvist, A.

For the first time, the complete neutron multiplicity distribution has been measured in this study from the photofission of 235U induced by high-energy spallation γ rays arriving ahead of the neutron beam at the Los Alamos Neutron Science Center. The resulting average neutron multiplicity 3.80 ± 0.08 (stat.) neutrons per photofission is in general agreement with previous measurements. In addition, unique measurements of the prompt fission energy spectrum of the neutrons from photofission and the angular correlation of two-neutron energies emitted in photofission also were made. Finally, the results are compared to calculations with the complete event fission model FREYA.

MULTIWAVELENGTH OBSERVATIONS OF 3C 454.3. III. EIGHTEEN MONTHS OF AGILE MONITORING OF THE 'CRAZY DIAMOND'

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

Vercellone, S.; Romano, P.; D'Ammando, F.

2010-03-20

We report on 18 months of multiwavelength observations of the blazar 3C 454.3 (Crazy Diamond) carried out in the period 2007 July-2009 January. In particular, we show the results of the AGILE campaigns which took place on 2008 May-June, 2008 July-August, and 2008 October-2009 January. During the 2008 May-2009 January period, the source average flux was highly variable, with a clear fading trend toward the end of the period, from an average gamma-ray flux F{sub E>100{sub MeV}} {approx}> 200 x 10{sup -8} photons cm{sup -2} s{sup -1} in 2008 May-June, to F{sub E>100{sub MeV}} {approx} 80 x 10{sup -8} photonsmore » cm{sup -2} s{sup -1} in 2008 October-2009 January. The average gamma-ray spectrum between 100 MeV and 1 GeV can be fit by a simple power law, showing a moderate softening (from GAMMA{sub GRID} {approx} 2.0 to GAMMA{sub GRID} {approx} 2.2) toward the end of the observing campaign. Only 3sigma upper limits can be derived in the 20-60 keV energy band with Super-AGILE, because the source was considerably off-axis during the whole time period. In 2007 July-August and 2008 May-June, 3C 454.3 was monitored by Rossi X-ray Timing Explorer (RXTE). The RXTE/Proportional Counter Array (PCA) light curve in the 3-20 keV energy band shows variability correlated with the gamma-ray one. The RXTE/PCA average flux during the two time periods is F{sub 3-20{sub keV}} = 8.4 x 10{sup -11} erg cm{sup -2} s{sup -1}, and F{sub 3-20{sub keV}} = 4.5 x 10{sup -11} erg cm{sup -2} s{sup -1}, respectively, while the spectrum (a power law with photon index GAMMA{sub PCA} = 1.65 +- 0.02) does not show any significant variability. Consistent results are obtained with the analysis of the RXTE/High-Energy X-Ray Timing Experiment quasi-simultaneous data. We also carried out simultaneous Swift observations during all AGILE campaigns. Swift/XRT detected 3C 454.3 with an observed flux in the 2-10 keV energy band in the range (0.9-7.5) x 10{sup -11} erg cm{sup -2} s{sup -1} and a photon index in the range GAMMA{sub XRT} = 1.33-2.04. In the 15-150 keV energy band, when detected, the source has an average flux of about 5 mCrab. GASP-WEBT monitored 3C 454.3 during the whole 2007-2008 period in the radio, millimeter, near-IR, and optical bands. The observations show an extremely variable behavior at all frequencies, with flux peaks almost simultaneous with those at higher energies. A correlation analysis between the optical and the gamma-ray fluxes shows that the gamma-optical correlation occurs with a time lag of tau = -0.4{sup +0.6}{sub -0.8} days, consistent with previous findings for this source. An analysis of 15 GHz and 43 GHz VLBI core radio flux observations in the period 2007 July-2009 February shows an increasing trend of the core radio flux, anti-correlated with the higher frequency data, allowing us to derive the value of the source magnetic field. Finally, the modeling of the broadband spectral energy distributions for the still unpublished data, and the behavior of the long-term light curves in different energy bands, allow us to compare the jet properties during different emission states, and to study the geometrical properties of the jet on a time-span longer than one year.« less

Some physiological demands of a half-marathon race on recreational runners.

PubMed

Williams, C; Nute, M L

1983-09-01

The purpose of this study was to assess the physiological demands of a half-marathon race on a group of ten recreational runners (8 men and 2 women). The average running speed was 223.1 +/- 22.7 m.min-1 (mean +/- SD) for the group and this represented 79 +/- 5% VO2 max for these runners. There was a good correlation between VO2 max and performance time for the race (4 = -0.81; p less than 0.01) and an even better correlation between running speed equivalent to a blood lactate concentration of 4 mmol.l-1 and performance times (r = -0.877; p less than 0.01). The blood lactate concentration os 4 of the runners at the end of the race was 5.65 +/- 1.42 mmol.l-1 (mean +/- SD) and the estimated energy expenditure for the group was 6.22 M.J. While there was only a poor correlation between total energy expenditure and performance time for the race, the correlation coefficient was improved when the energy expenditure of each individual was expressed in KJ.kg-1 min-1 (r = 0.938; p less than 0.01).

The Strength of Hydrogen Bonds between Fluoro-Organics and Alcohols, a Theoretical Study.

PubMed

Rosenberg, Robert E

2018-05-10

Fluorinated organic compounds are ubiquitous in the pharmaceutical and agricultural industries. To better discern the mode of action of these compounds, it is critical to understand the strengths of hydrogen bonds involving fluorine. There are only a few published examples of the strengths of these bonds. This study provides a high level ab initio study of inter- and intramolecular hydrogen bonds between RF and R'OH, where R and R' are aryl, vinyl, alkyl, and cycloalkyl. Intermolecular binding energies average near 5 kcal/mol, while intramolecular binding energies average about 3 kcal/mol. Inclusion of zero-point energies and applying a counterpoise correction lessen the difference. In both series, modest increases in binding energies are seen with increased acidity of R'OH and increased electron donation of R in RF. In the intramolecular compounds, binding energy increases with the rigidity of the F-(C) n -OH ring. Inclusion of free energy corrections at 298 K results in exoergic binding energies for the intramolecular compounds and endoergic binding energies for the intermolecular compounds. Parameters such as bond lengths, vibrational frequencies, and atomic populations are consistent with formation of a hydrogen bond and with slightly stronger binding in the intermolecular cases over the intramolecular cases. However, these parameters correlated poorly with binding energies.

The Impacts of Wind Speed Trends and 30-Year Variability in Relation to Hydroelectric Reservoir Inflows on Wind Power in the Pacific Northwest.

PubMed

Cross, Benjamin D; Kohfeld, Karen E; Bailey, Joseph; Cooper, Andrew B

2015-01-01

In hydroelectric dominated systems, the value and benefits of energy are higher during extended dry periods and lower during extended or extreme wet periods. By accounting for regional and temporal differences in the relationship between wind speed and reservoir inflow behavior during wind farm site selection, the benefits of energy diversification can be maximized. The goal of this work was to help maximize the value of wind power by quantifying the long-term (30-year) relationships between wind speed and streamflow behavior, using British Columbia (BC) and the Pacific Northwest (PNW) as a case study. Clean energy and self-sufficiency policies in British BC make the benefits of increased generation during low streamflow periods particularly large. Wind density (WD) estimates from a height of 10m (North American Regional Reanalysis, NARR) were correlated with cumulative usable inflows (CUI) for BC (collected from BC Hydro) for 1979-2010. The strongest WD-CUI correlations were found along the US coast (r ~0.55), whereas generally weaker correlations were found in northern regions, with negative correlations (r ~ -0.25) along BC's North Coast. Furthermore, during the lowest inflow years, WD anomalies increased by up to 40% above average values for the North Coast. Seasonally, high flows during the spring freshet were coincident with widespread negative WD anomalies, with a similar but opposite pattern for low inflow winter months. These poorly or negatively correlated sites could have a moderating influence on climate related variability in provincial electricity supply, by producing greater than average generation in low inflow years and reduced generation in wet years. Wind speed and WD trends were also analyzed for all NARR grid locations, which showed statistically significant positive trends for most of the PNW and the largest increases along the Pacific Coast.

The Impacts of Wind Speed Trends and 30-Year Variability in Relation to Hydroelectric Reservoir Inflows on Wind Power in the Pacific Northwest

PubMed Central

Cross, Benjamin D.; Kohfeld, Karen E.; Bailey, Joseph; Cooper, Andrew B.

2015-01-01

In hydroelectric dominated systems, the value and benefits of energy are higher during extended dry periods and lower during extended or extreme wet periods. By accounting for regional and temporal differences in the relationship between wind speed and reservoir inflow behavior during wind farm site selection, the benefits of energy diversification can be maximized. The goal of this work was to help maximize the value of wind power by quantifying the long-term (30-year) relationships between wind speed and streamflow behavior, using British Columbia (BC) and the Pacific Northwest (PNW) as a case study. Clean energy and self-sufficiency policies in British BC make the benefits of increased generation during low streamflow periods particularly large. Wind density (WD) estimates from a height of 10m (North American Regional Reanalysis, NARR) were correlated with cumulative usable inflows (CUI) for BC (collected from BC Hydro) for 1979–2010. The strongest WD-CUI correlations were found along the US coast (r ~0.55), whereas generally weaker correlations were found in northern regions, with negative correlations (r ~ -0.25) along BC’s North Coast. Furthermore, during the lowest inflow years, WD anomalies increased by up to 40% above average values for the North Coast. Seasonally, high flows during the spring freshet were coincident with widespread negative WD anomalies, with a similar but opposite pattern for low inflow winter months. These poorly or negatively correlated sites could have a moderating influence on climate related variability in provincial electricity supply, by producing greater than average generation in low inflow years and reduced generation in wet years. Wind speed and WD trends were also analyzed for all NARR grid locations, which showed statistically significant positive trends for most of the PNW and the largest increases along the Pacific Coast. PMID:26271035

Why there is no negative correlation between egg size and number in the Common Pochard?

NASA Astrophysics Data System (ADS)

Hořák, David; Klvaňa, Petr; Albrecht, Tomáš

2008-03-01

Trade-off between offspring size and number belongs to the most discussed concepts in the life history theory. Although it has been frequently described at interspecific level as a negative correlation between egg size and number, it is usually difficult to provide similar evidence at a population level. In congruence with most of previous studies, we did not find any evidence for negative correlation between estimated egg mass and clutch size in the Common Pochard ( Aythya ferina). However, the predicted negative relationship appeared after incubation when young with many siblings were on average lighter than conspecifics in nests with fewer young. Such a pattern might be generated by differences in hatching success and energy consumption by developing embryos among particular nests. Our data indicate that females which had laid clutches containing many big eggs lost a much larger amount of energy invested and, moreover, produced hatchlings of relatively lower body mass if compared with females having few small eggs. We speculate about variation in energy allocation between two most energy demanding parts of breeding (clutch formation and incubation) and female incubation effort as leading mechanisms. Such a variation might reflect inter-individual differences in reproductive strategy or errors in energy allocation.

Molecular Excitation Energies from Time-Dependent Density Functional Theory Employing Random-Phase Approximation Hessians with Exact Exchange.

PubMed

Heßelmann, Andreas

2015-04-14

Molecular excitation energies have been calculated with time-dependent density-functional theory (TDDFT) using random-phase approximation Hessians augmented with exact exchange contributions in various orders. It has been observed that this approach yields fairly accurate local valence excitations if combined with accurate asymptotically corrected exchange-correlation potentials used in the ground-state Kohn-Sham calculations. The inclusion of long-range particle-particle with hole-hole interactions in the kernel leads to errors of 0.14 eV only for the lowest excitations of a selection of three alkene, three carbonyl, and five azabenzene molecules, thus surpassing the accuracy of a number of common TDDFT and even some wave function correlation methods. In the case of long-range charge-transfer excitations, the method typically underestimates accurate reference excitation energies by 8% on average, which is better than with standard hybrid-GGA functionals but worse compared to range-separated functional approximations.

Accurate Exchange-Correlation Energies for the Warm Dense Electron Gas.

PubMed

Malone, Fionn D; Blunt, N S; Brown, Ethan W; Lee, D K K; Spencer, J S; Foulkes, W M C; Shepherd, James J

2016-09-09

The density matrix quantum Monte Carlo (DMQMC) method is used to sample exact-on-average N-body density matrices for uniform electron gas systems of up to 10^{124} matrix elements via a stochastic solution of the Bloch equation. The results of these calculations resolve a current debate over the accuracy of the data used to parametrize finite-temperature density functionals. Exchange-correlation energies calculated using the real-space restricted path-integral formalism and the k-space configuration path-integral formalism disagree by up to ∼10% at certain reduced temperatures T/T_{F}≤0.5 and densities r_{s}≤1. Our calculations confirm the accuracy of the configuration path-integral Monte Carlo results available at high density and bridge the gap to lower densities, providing trustworthy data in the regime typical of planetary interiors and solids subject to laser irradiation. We demonstrate that the DMQMC method can calculate free energies directly and present exact free energies for T/T_{F}≥1 and r_{s}≤2.

Solar energy potential in the United Arab Emirates

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

Khalil, A.; Alnajjar, A.

1995-12-31

In the present study, the global, direct and diffuse components of solar radiation as well as temperature, relative humidity and wind speed have been continuously monitored and analyzed on hourly, daily and monthly basis. Experimental data is compared to the predictions of different theoretical models as functions of declination and hour angles. Correlations are obtained describing the variation of hourly, daily and monthly averages of total and diffuse solar radiation using polynomial expressions. Empirical correlations describing the dependence of the daily average diffuse to total radiation ratio on the clearness index are also obtained. Data of daily diffuse to totalmore » radiation ratio is compared to correlations obtained by other investigators. The comparison shows a reasonable agreement with some scatter due to the seasonal dependence of the correlation. Comparison of calculations with experimental measurements under clear sky conditions show excellent agreement with a maximum error of 8%. The measured ratio of hourly to daily insolation is in excellent agreement with the model of Hottel which is expressed as a function of the clearness index, hour and the sunset hour angles.« less

Correlations between solar wind parameters and auroral kilometric radiation intensity

NASA Technical Reports Server (NTRS)

Gallagher, D. L.; Dangelo, N.

1981-01-01

The relationship between solar wind properties and the influx of energy into the nightside auroral region as indicated by the intensity of auroral kilometric radiation is investigated. Smoothed Hawkeye satellite observations of auroral radiation at 178, 100 and 56.2 kHz for days 160 through 365 of 1974 are compared with solar wind data from the composite Solar Wind Plasma Data Set, most of which was supplied by the IMP-8 spacecraft. Correlations are made between smoothed daily averages of solar wind ion density, bulk flow speed, total IMF strength, electric field, solar wind speed in the southward direction, solar wind speed multiplied by total IMF strength, the substorm parameter epsilon and the Kp index. The greatest correlation is found between solar wind bulk flow speed and auroral radiation intensity, with a linear correlation coefficient of 0.78 for the 203 daily averages examined. A possible mechanism for the relationship may be related to the propagation into the nightside magnetosphere of low-frequency long-wavelength electrostatic waves produced in the magnetosheath by the solar wind.

A Comprehensive Docking and MM/GBSA Rescoring Study of Ligand Recognition upon Binding Antithrombin

DOE PAGES

Zhang, Xiaohua; Perez-Sanchez, Horacio; C. Lightstone, Felice

2017-04-06

A high-throughput virtual screening pipeline has been extended from single energetically minimized structure Molecular Mechanics/Generalized Born Surface Area (MM/GBSA) rescoring to ensemble-average MM/GBSA rescoring. The correlation coefficient (R2) of calculated and experimental binding free energies for a series of antithrombin ligands has been improved from 0.36 to 0.69 when switching from the single-structure MM/GBSA rescoring to ensemble-average one. The electrostatic interactions in both solute and solvent are identified to play an important role in determining the binding free energy after the decomposition of the calculated binding free energy. Furthermore, the increasing negative charge of the compounds provides a more favorablemore » electrostatic energy change but creates a higher penalty for the solvation free energy. Such a penalty is compensated by the electrostatic energy change, which results in a better binding affinity. A highly hydrophobic ligand is determined by the docking program to be a non-specific binder. Finally, these results have demonstrated that it is very important to keep a few top poses for rescoring, if the binding is non-specific or the binding mode is not well determined by the docking calculation.« less

Work and information from thermal states after subtraction of energy quanta.

PubMed

Hloušek, J; Ježek, M; Filip, R

2017-10-12

Quantum oscillators prepared out of thermal equilibrium can be used to produce work and transmit information. By intensive cooling of a single oscillator, its thermal energy deterministically dissipates to a colder environment, and the oscillator substantially reduces its entropy. This out-of-equilibrium state allows us to obtain work and to carry information. Here, we propose and experimentally demonstrate an advanced approach, conditionally preparing more efficient out-of-equilibrium states only by a weak dissipation, an inefficient quantum measurement of the dissipated thermal energy, and subsequent triggering of that states. Although it conditionally subtracts the energy quanta from the oscillator, average energy grows, and second-order correlation function approaches unity as by coherent external driving. On the other hand, the Fano factor remains constant and the entropy of the subtracted state increases, which raise doubts about a possible application of this approach. To resolve it, we predict and experimentally verify that both available work and transmitted information can be conditionally higher in this case than by arbitrary cooling or adequate thermal heating up to the same average energy. It qualifies the conditional procedure as a useful source for experiments in quantum information and thermodynamics.

A Comprehensive Docking and MM/GBSA Rescoring Study of Ligand Recognition upon Binding Antithrombin

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

Zhang, Xiaohua; Perez-Sanchez, Horacio; C. Lightstone, Felice

A high-throughput virtual screening pipeline has been extended from single energetically minimized structure Molecular Mechanics/Generalized Born Surface Area (MM/GBSA) rescoring to ensemble-average MM/GBSA rescoring. The correlation coefficient (R2) of calculated and experimental binding free energies for a series of antithrombin ligands has been improved from 0.36 to 0.69 when switching from the single-structure MM/GBSA rescoring to ensemble-average one. The electrostatic interactions in both solute and solvent are identified to play an important role in determining the binding free energy after the decomposition of the calculated binding free energy. Furthermore, the increasing negative charge of the compounds provides a more favorablemore » electrostatic energy change but creates a higher penalty for the solvation free energy. Such a penalty is compensated by the electrostatic energy change, which results in a better binding affinity. A highly hydrophobic ligand is determined by the docking program to be a non-specific binder. Finally, these results have demonstrated that it is very important to keep a few top poses for rescoring, if the binding is non-specific or the binding mode is not well determined by the docking calculation.« less

An ab initio study of the C3(+) cation using multireference methods

NASA Technical Reports Server (NTRS)

Taylor, Peter R.; Martin, J. M. L.; Francois, J. P.; Gijbels, R.

1991-01-01

The energy difference between the linear 2 sigma(sup +, sub u) and cyclic 2B(sub 2) structures of C3(+) has been investigated using large (5s3p2d1f) basis sets and multireference electron correlation treatments, including complete active space self consistent fields (CASSCF), multireference configuration interaction (MRCI), and averaged coupled-pair functional (ACPF) methods, as well as the single-reference quadratic configuration interaction (QCISD(T)) method. Our best estimate, including a correction for basis set incompleteness, is that the linear form lies above the cyclic from by 5.2(+1.5 to -1.0) kcal/mol. The 2 sigma(sup +, sub u) state is probably not a transition state, but a local minimum. Reliable computation of the cyclic/linear energy difference in C3(+) is extremely demanding of the electron correlation treatment used: of the single-reference methods previously considered, CCSD(T) and QCISD(T) perform best. The MRCI + Q(0.01)/(4s2p1d) energy separation of 1.68 kcal/mol should provide a comparison standard for other electron correlation methods applied to this system.

Density functional study of double ionization energies

NASA Astrophysics Data System (ADS)

Chong, D. P.

2008-02-01

In this paper, double ionization energies (DIEs) of gas-phase atoms and molecules are calculated by energy difference method with density functional theory. To determine the best functional for double ionization energies, we first study 24 main group atoms in the second, third, and fourth periods. An approximation is used in which the electron density is first obtained from a density functional computation with the exchange-correlation potential Vxc known as statistical average of orbital potentials, after which the energy is computed from that density with 59 different exchange-correlation energy functionals Exc. For the 24 atoms, the two best Exc functional providing DIEs with average absolute deviation (AAD) of only 0.25eV are the Perdew-Burke-Ernzerhof functional modified by Hammer et al. [Phys. Rev. B 59, 6413 (1999)] and one known as the Krieger-Chen-Iafrate-Savin functional modified by Krieger et al. (unpublished). Surprisingly, none of the 20 available hybrid functionals is among the top 15 functionals for the DIEs of the 24 atoms. A similar procedure is then applied to molecules, with opposite results: Only hybrid functionals are among the top 15 functionals for a selection of 29molecules. The best Exc functional for the 29molecules is found to be the Becke 1997 functional modified by Wilson et al. [J. Chem. Phys. 115, 9233 (2001)]. With that functional, the AAD from experiment for DIEs of 29molecules is just under 0.5eV. If the two suspected values for C2H2 and Fe(CO)5 are excluded, the AAD improves to 0.32eV. Many other hybrid functionals perform almost as well.

Semiclassical spatial correlations in chaotic wave functions.

PubMed

Toscano, Fabricio; Lewenkopf, Caio H

2002-03-01

We study the spatial autocorrelation of energy eigenfunctions psi(n)(q) corresponding to classically chaotic systems in the semiclassical regime. Our analysis is based on the Weyl-Wigner formalism for the spectral average C(epsilon)(q(+),q(-),E) of psi(n)(q(+))psi(*)(n)(q(-)), defined as the average over eigenstates within an energy window epsilon centered at E. In this framework C(epsilon) is the Fourier transform in the momentum space of the spectral Wigner function W(x,E;epsilon). Our study reveals the chord structure that C(epsilon) inherits from the spectral Wigner function showing the interplay between the size of the spectral average window, and the spatial separation scale. We discuss under which conditions is it possible to define a local system independent regime for C(epsilon). In doing so, we derive an expression that bridges the existing formulas in the literature and find expressions for C(epsilon)(q(+),q(-),E) valid for any separation size /q(+)-q(-)/.

Influences of Co doping on the structural and optical properties of ZnO nanostructured

NASA Astrophysics Data System (ADS)

Majeed Khan, M. A.; Wasi Khan, M.; Alhoshan, Mansour; Alsalhi, M. S.; Aldwayyan, A. S.

2010-07-01

Pure and Co-doped ZnO nanostructured samples have been synthesized by a chemical route. We have studied the structural and optical properties of the samples by using X-ray diffraction (XRD), field-emission scanning electron microscopy (FESEM), field-emission transmission electron microscope (FETEM), energy-dispersive X-ray (EDX) analysis and UV-VIS spectroscopy. The XRD patterns show that all the samples are hexagonal wurtzite structures. Changes in crystallite size due to mechanical activation were also determined from X-ray measurements. These results were correlated with changes in particle size followed by SEM and TEM. The average crystallite sizes obtained from XRD were between 20 to 25 nm. The TEM images showed the average particle size of undoped ZnO nanostructure was about 20 nm whereas the smallest average grain size at 3% Co was about 15 nm. Optical parameters such as absorption coefficient ( α), energy band gap ( E g ), the refractive index ( n), and dielectric constants ( σ) have been determined using different methods.

Measurement of transverse energy-energy correlations in multi-jet events in pp collisions at √{ s} = 7 TeV using the ATLAS detector and determination of the strong coupling constant αs (mZ)

NASA Astrophysics Data System (ADS)

Aad, G.; Abbott, B.; Abdallah, J.; Abdinov, O.; Aben, R.; Abolins, M.; AbouZeid, O. S.; Abramowicz, H.; Abreu, H.; Abreu, R.; Abulaiti, Y.; Acharya, B. S.; Adamczyk, L.; Adams, D. L.; Adelman, J.; Adomeit, S.; Adye, T.; Affolder, A. A.; Agatonovic-Jovin, T.; Agricola, J.; Aguilar-Saavedra, J. A.; Ahlen, S. P.; Ahmadov, F.; Aielli, G.; Akerstedt, H.; Åkesson, T. P. A.; Akimov, A. V.; Alberghi, G. L.; Albert, J.; Albrand, S.; Alconada Verzini, M. J.; Aleksa, M.; Aleksandrov, I. N.; Alexa, C.; Alexander, G.; Alexopoulos, T.; Alhroob, M.; Alimonti, G.; Alio, L.; Alison, J.; Alkire, S. P.; Allbrooke, B. M. M.; Allport, P. P.; Aloisio, A.; Alonso, A.; Alonso, F.; Alpigiani, C.; Altheimer, A.; Alvarez Gonzalez, B.; Álvarez Piqueras, D.; Alviggi, M. G.; Amadio, B. T.; Amako, K.; Amaral Coutinho, Y.; Amelung, C.; Amidei, D.; Amor Dos Santos, S. P.; Amorim, A.; Amoroso, S.; Amram, N.; Amundsen, G.; Anastopoulos, C.; Ancu, L. S.; Andari, N.; Andeen, T.; Anders, C. F.; Anders, G.; Anders, J. K.; Anderson, K. J.; Andreazza, A.; Andrei, V.; Angelidakis, S.; Angelozzi, I.; Anger, P.; Angerami, A.; Anghinolfi, F.; Anisenkov, A. V.; Anjos, N.; Annovi, A.; Antonelli, M.; Antonov, A.; Antos, J.; Anulli, F.; Aoki, M.; Aperio Bella, L.; Arabidze, G.; Arai, Y.; Araque, J. P.; Arce, A. T. H.; Arduh, F. A.; Arguin, J.-F.; Argyropoulos, S.; Arik, M.; Armbruster, A. J.; Arnaez, O.; Arnal, V.; Arnold, H.; Arratia, M.; Arslan, O.; Artamonov, A.; Artoni, G.; Asai, S.; Asbah, N.; Ashkenazi, A.; Åsman, B.; Asquith, L.; Assamagan, K.; Astalos, R.; Atkinson, M.; Atlay, N. B.; Augsten, K.; Aurousseau, M.; Avolio, G.; Axen, B.; Ayoub, M. K.; Azuelos, G.; Baak, M. A.; Baas, A. E.; Baca, M. J.; Bacci, C.; Bachacou, H.; Bachas, K.; Backes, M.; Backhaus, M.; Bagiacchi, P.; Bagnaia, P.; Bai, Y.; Bain, T.; Baines, J. T.; Baker, O. K.; Baldin, E. M.; Balek, P.; Balestri, T.; Balli, F.; Banas, E.; Banerjee, Sw.; Bannoura, A. A. E.; Bansil, H. S.; Barak, L.; Barberio, E. L.; Barberis, D.; Barbero, M.; Barillari, T.; Barisonzi, M.; Barklow, T.; Barlow, N.; Barnes, S. L.; Barnett, B. M.; Barnett, R. M.; Barnovska, Z.; Baroncelli, A.; Barone, G.; Barr, A. J.; Barreiro, F.; Barreiro Guimarães da Costa, J.; Bartoldus, R.; Barton, A. E.; Bartos, P.; Basalaev, A.; Bassalat, A.; Basye, A.; Bates, R. L.; Batista, S. J.; Batley, J. R.; Battaglia, M.; Bauce, M.; Bauer, F.; Bawa, H. S.; Beacham, J. B.; Beattie, M. D.; Beau, T.; Beauchemin, P. H.; Beccherle, R.; Bechtle, P.; Beck, H. P.; Becker, K.; Becker, M.; Beckingham, M.; Becot, C.; Beddall, A. J.; Beddall, A.; Bednyakov, V. A.; Bee, C. P.; Beemster, L. J.; Beermann, T. A.; Begel, M.; Behr, J. K.; Belanger-Champagne, C.; Bell, W. H.; Bella, G.; Bellagamba, L.; Bellerive, A.; Bellomo, M.; Belotskiy, K.; Beltramello, O.; Benary, O.; Benchekroun, D.; Bender, M.; Bendtz, K.; Benekos, N.; Benhammou, Y.; Benhar Noccioli, E.; Benitez Garcia, J. A.; Benjamin, D. P.; Bensinger, J. R.; Bentvelsen, S.; Beresford, L.; Beretta, M.; Berge, D.; Bergeaas Kuutmann, E.; Berger, N.; Berghaus, F.; Beringer, J.; Bernard, C.; Bernard, N. R.; Bernius, C.; Bernlochner, F. U.; Berry, T.; Berta, P.; Bertella, C.; Bertoli, G.; Bertolucci, F.; Bertsche, C.; Bertsche, D.; Besana, M. I.; Besjes, G. J.; Bessidskaia Bylund, O.; Bessner, M.; Besson, N.; Betancourt, C.; Bethke, S.; Bevan, A. J.; Bhimji, W.; Bianchi, R. M.; Bianchini, L.; Bianco, M.; Biebel, O.; Biedermann, D.; Bieniek, S. P.; Biglietti, M.; Bilbao De Mendizabal, J.; Bilokon, H.; Bindi, M.; Binet, S.; Bingul, A.; Bini, C.; Biondi, S.; Black, C. W.; Black, J. E.; Black, K. M.; Blackburn, D.; Blair, R. E.; Blanchard, J.-B.; Blanco, J. E.; Blazek, T.; Bloch, I.; Blocker, C.; Blum, W.; Blumenschein, U.; Bobbink, G. J.; Bobrovnikov, V. S.; Bocchetta, S. S.; Bocci, A.; Bock, C.; Boehler, M.; Bogaerts, J. A.; Bogavac, D.; Bogdanchikov, A. G.; Bohm, C.; Boisvert, V.; Bold, T.; Boldea, V.; Boldyrev, A. 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R.; Suzuki, S.; Svatos, M.; Swiatlowski, M.; Sykora, I.; Sykora, T.; Ta, D.; Taccini, C.; Tackmann, K.; Taenzer, J.; Taffard, A.; Tafirout, R.; Taiblum, N.; Takai, H.; Takashima, R.; Takeda, H.; Takeshita, T.; Takubo, Y.; Talby, M.; Talyshev, A. A.; Tam, J. Y. C.; Tan, K. G.; Tanaka, J.; Tanaka, R.; Tanaka, S.; Tannenwald, B. B.; Tannoury, N.; Tapprogge, S.; Tarem, S.; Tarrade, F.; Tartarelli, G. F.; Tas, P.; Tasevsky, M.; Tashiro, T.; Tassi, E.; Tavares Delgado, A.; Tayalati, Y.; Taylor, F. E.; Taylor, G. N.; Taylor, P. T. E.; Taylor, W.; Teischinger, F. A.; Teixeira Dias Castanheira, M.; Teixeira-Dias, P.; Temming, K. K.; Temple, D.; Ten Kate, H.; Teng, P. K.; Teoh, J. J.; Tepel, F.; Terada, S.; Terashi, K.; Terron, J.; Terzo, S.; Testa, M.; Teuscher, R. J.; Theveneaux-Pelzer, T.; Thomas, J. P.; Thomas-Wilsker, J.; Thompson, E. N.; Thompson, P. D.; Thompson, R. J.; Thompson, A. S.; Thomsen, L. A.; Thomson, E.; Thomson, M.; Thun, R. P.; Tibbetts, M. J.; Ticse Torres, R. E.; Tikhomirov, V. O.; Tikhonov, Yu. A.; Timoshenko, S.; Tiouchichine, E.; Tipton, P.; Tisserant, S.; Todome, K.; Todorov, T.; Todorova-Nova, S.; Tojo, J.; Tokár, S.; Tokushuku, K.; Tollefson, K.; Tolley, E.; Tomlinson, L.; Tomoto, M.; Tompkins, L.; Toms, K.; Torrence, E.; Torres, H.; Torró Pastor, E.; Toth, J.; Touchard, F.; Tovey, D. R.; Trefzger, T.; Tremblet, L.; Tricoli, A.; Trigger, I. M.; Trincaz-Duvoid, S.; Tripiana, M. F.; Trischuk, W.; Trocmé, B.; Troncon, C.; Trottier-McDonald, M.; Trovatelli, M.; True, P.; Truong, L.; Trzebinski, M.; Trzupek, A.; Tsarouchas, C.; Tseng, J. C.-L.; Tsiareshka, P. V.; Tsionou, D.; Tsipolitis, G.; Tsirintanis, N.; Tsiskaridze, S.; Tsiskaridze, V.; Tskhadadze, E. G.; Tsukerman, I. I.; Tsulaia, V.; Tsuno, S.; Tsybychev, D.; Tudorache, A.; Tudorache, V.; Tuna, A. N.; Tupputi, S. A.; Turchikhin, S.; Turecek, D.; Turra, R.; Turvey, A. J.; Tuts, P. M.; Tykhonov, A.; Tylmad, M.; Tyndel, M.; Ueda, I.; Ueno, R.; Ughetto, M.; Ugland, M.; Ukegawa, F.; Unal, G.; Undrus, A.; Unel, G.; Ungaro, F. C.; Unno, Y.; Unverdorben, C.; Urban, J.; Urquijo, P.; Urrejola, P.; Usai, G.; Usanova, A.; Vacavant, L.; Vacek, V.; Vachon, B.; Valderanis, C.; Valencic, N.; Valentinetti, S.; Valero, A.; Valery, L.; Valkar, S.; Valladolid Gallego, E.; Vallecorsa, S.; Valls Ferrer, J. A.; Van Den Wollenberg, W.; Van Der Deijl, P. C.; van der Geer, R.; van der Graaf, H.; van Eldik, N.; van Gemmeren, P.; Van Nieuwkoop, J.; van Vulpen, I.; van Woerden, M. C.; Vanadia, M.; Vandelli, W.; Vanguri, R.; Vaniachine, A.; Vannucci, F.; Vardanyan, G.; Vari, R.; Varnes, E. W.; Varol, T.; Varouchas, D.; Vartapetian, A.; Varvell, K. E.; Vazeille, F.; Vazquez Schroeder, T.; Veatch, J.; Veloce, L. M.; Veloso, F.; Velz, T.; Veneziano, S.; Ventura, A.; Ventura, D.; Venturi, M.; Venturi, N.; Venturini, A.; Vercesi, V.; Verducci, M.; Verkerke, W.; Vermeulen, J. C.; Vest, A.; Vetterli, M. C.; Viazlo, O.; Vichou, I.; Vickey, T.; Vickey Boeriu, O. E.; Viehhauser, G. H. A.; Viel, S.; Vigne, R.; Villa, M.; Villaplana Perez, M.; Vilucchi, E.; Vincter, M. G.; Vinogradov, V. B.; Vivarelli, I.; Vives Vaque, F.; Vlachos, S.; Vladoiu, D.; Vlasak, M.; Vogel, M.; Vokac, P.; Volpi, G.; Volpi, M.; von der Schmitt, H.; von Radziewski, H.; von Toerne, E.; Vorobel, V.; Vorobev, K.; Vos, M.; Voss, R.; Vossebeld, J. H.; Vranjes, N.; Vranjes Milosavljevic, M.; Vrba, V.; Vreeswijk, M.; Vuillermet, R.; Vukotic, I.; Vykydal, Z.; Wagner, P.; Wagner, W.; Wahlberg, H.; Wahrmund, S.; Wakabayashi, J.; Walder, J.; Walker, R.; Walkowiak, W.; Wang, C.; Wang, F.; Wang, H.; Wang, H.; Wang, J.; Wang, J.; Wang, K.; Wang, R.; Wang, S. M.; Wang, T.; Wang, T.; Wang, X.; Wanotayaroj, C.; Warburton, A.; Ward, C. P.; Wardrope, D. R.; Washbrook, A.; Wasicki, C.; Watkins, P. M.; Watson, A. T.; Watson, I. J.; Watson, M. F.; Watts, G.; Watts, S.; Waugh, B. M.; Webb, S.; Weber, M. S.; Weber, S. W.; Webster, J. S.; Weidberg, A. R.; Weinert, B.; Weingarten, J.; Weiser, C.; Weits, H.; Wells, P. S.; Wenaus, T.; Wengler, T.; Wenig, S.; Wermes, N.; Werner, M.; Werner, P.; Wessels, M.; Wetter, J.; Whalen, K.; Wharton, A. M.; White, A.; White, M. J.; White, R.; White, S.; Whiteson, D.; Wickens, F. J.; Wiedenmann, W.; Wielers, M.; Wienemann, P.; Wiglesworth, C.; Wiik-Fuchs, L. A. M.; Wildauer, A.; Wilkens, H. G.; Williams, H. H.; Williams, S.; Willis, C.; Willocq, S.; Wilson, A.; Wilson, J. A.; Wingerter-Seez, I.; Winklmeier, F.; Winter, B. T.; Wittgen, M.; Wittkowski, J.; Wollstadt, S. J.; Wolter, M. W.; Wolters, H.; Wosiek, B. K.; Wotschack, J.; Woudstra, M. J.; Wozniak, K. W.; Wu, M.; Wu, M.; Wu, S. L.; Wu, X.; Wu, Y.; Wyatt, T. R.; Wynne, B. M.; Xella, S.; Xu, D.; Xu, L.; Yabsley, B.; Yacoob, S.; Yakabe, R.; Yamada, M.; Yamaguchi, D.; Yamaguchi, Y.; Yamamoto, A.; Yamamoto, S.; Yamanaka, T.; Yamauchi, K.; Yamazaki, Y.; Yan, Z.; Yang, H.; Yang, H.; Yang, Y.; Yao, W.-M.; Yasu, Y.; Yatsenko, E.; Yau Wong, K. H.; Ye, J.; Ye, S.; Yeletskikh, I.; Yen, A. L.; Yildirim, E.; Yorita, K.; Yoshida, R.; Yoshihara, K.; Young, C.; Young, C. J. S.; Youssef, S.; Yu, D. R.; Yu, J.; Yu, J. M.; Yu, J.; Yuan, L.; Yuen, S. P. Y.; Yurkewicz, A.; Yusuff, I.; Zabinski, B.; Zaidan, R.; Zaitsev, A. M.; Zalieckas, J.; Zaman, A.; Zambito, S.; Zanello, L.; Zanzi, D.; Zeitnitz, C.; Zeman, M.; Zemla, A.; Zeng, Q.; Zengel, K.; Zenin, O.; Ženiš, T.; Zerwas, D.; Zhang, D.; Zhang, F.; Zhang, H.; Zhang, J.; Zhang, L.; Zhang, R.; Zhang, X.; Zhang, Z.; Zhao, X.; Zhao, Y.; Zhao, Z.; Zhemchugov, A.; Zhong, J.; Zhou, B.; Zhou, C.; Zhou, L.; Zhou, L.; Zhou, M.; Zhou, N.; Zhu, C. G.; Zhu, H.; Zhu, J.; Zhu, Y.; Zhuang, X.; Zhukov, K.; Zibell, A.; Zieminska, D.; Zimine, N. I.; Zimmermann, C.; Zimmermann, S.; Zinonos, Z.; Zinser, M.; Ziolkowski, M.; Živković, L.; Zobernig, G.; Zoccoli, A.; zur Nedden, M.; Zurzolo, G.; Zwalinski, L.

2015-11-01

High transverse momentum jets produced in pp collisions at a centre of mass energy of 7 TeV are used to measure the transverse energy-energy correlation function and its associated azimuthal asymmetry. The data were recorded with the ATLAS detector at the LHC in the year 2011 and correspond to an integrated luminosity of 158 pb-1. The selection criteria demand the average transverse momentum of the two leading jets in an event to be larger than 250 GeV. The data at detector level are well described by Monte Carlo event generators. They are unfolded to the particle level and compared with theoretical calculations at next-to-leading-order accuracy. The agreement between data and theory is good and provides a precision test of perturbative Quantum Chromodynamics at large momentum transfers. From this comparison, the strong coupling constant given at the Z boson mass is determined to be αs (mZ) = 0.1173 ± 0.0010 (exp.)-0.0026+0.0065 (theo.).

Evolutionary fitness as a function of pubertal age in 22 subsistence-based traditional societies

PubMed Central

2011-01-01

Context The age of puberty has fallen over the past 130 years in industrialized, western countries, and this fall is widely referred to as the secular trend for earlier puberty. The current study was undertaken to test two evolutionary theories: (a) the reproductive system maximizes the number of offspring in response to positive environmental cues in terms of energy balance, and (b) early puberty is a trade-off response for high mortality rate and reduced resource availability. Methods Using a sample of 22 natural-fertility societies of mostly tropical foragers, horticulturalists, and pastoralists from Africa, South America, Australia, and Southeastern Asia, this study compares indices of adolescence growth and menarche with those of fertility fitness in these non-industrial, traditional societies. Results The average age at menarche correlated with the first reproduction, but did not correlate with the total fertility rate TFR or reproductive fitness. The age at menarche correlated negatively with their average adult body mass, and the average adult body weight positively correlated with reproductive fitness. Survivorship did not correlate with the age at menarche or age indices of the adolescent growth spurt. The population density correlated positively with the age at first reproduction, but not with menarche age, TFR, or reproductive fitness. Conclusions Based on our analyses, we reject the working hypotheses that reproductive fitness is enhanced in societies with early puberty or that early menarche is an adaptive response to greater mortality risk. Whereas body mass is a measure of resources is tightly associated with fitness, the age of menarche is not. PMID:21860629

Measurement of the energy and multiplicity distributions of neutrons from the photofission of U 235

DOE PAGES

Clarke, S. D.; Wieger, B. M.; Enqvist, A.; ...

2017-06-20

For the first time, the complete neutron multiplicity distribution has been measured in this study from the photofission of 235U induced by high-energy spallation γ rays arriving ahead of the neutron beam at the Los Alamos Neutron Science Center. The resulting average neutron multiplicity 3.80 ± 0.08 (stat.) neutrons per photofission is in general agreement with previous measurements. In addition, unique measurements of the prompt fission energy spectrum of the neutrons from photofission and the angular correlation of two-neutron energies emitted in photofission also were made. Finally, the results are compared to calculations with the complete event fission model FREYA.

Ecosystem-Service Tradeoffs Associated with Switching from Annual to Perennial Energy Crops in Riparian Zones of the US Midwest

PubMed Central

Meehan, Timothy D.; Gratton, Claudio; Diehl, Erica; Hunt, Natalie D.; Mooney, Daniel F.; Ventura, Stephen J.; Barham, Bradford L.; Jackson, Randall D.

2013-01-01

Integration of energy crops into agricultural landscapes could promote sustainability if they are placed in ways that foster multiple ecosystem services and mitigate ecosystem disservices from existing crops. We conducted a modeling study to investigate how replacing annual energy crops with perennial energy crops along Wisconsin waterways could affect a variety of provisioning and regulating ecosystem services. We found that a switch from continuous corn production to perennial-grass production decreased annual income provisioning by 75%, although it increased annual energy provisioning by 33%, decreased annual phosphorous loading to surface water by 29%, increased below-ground carbon sequestration by 30%, decreased annual nitrous oxide emissions by 84%, increased an index of pollinator abundance by an average of 11%, and increased an index of biocontrol potential by an average of 6%. We expressed the tradeoffs between income provisioning and other ecosystem services as benefit-cost ratios. Benefit-cost ratios averaged 12.06 GJ of additional net energy, 0.84 kg of avoided phosphorus pollution, 18.97 Mg of sequestered carbon, and 1.99 kg of avoided nitrous oxide emissions for every $1,000 reduction in income. These ratios varied spatially, from 2- to 70-fold depending on the ecosystem service. Benefit-cost ratios for different ecosystem services were generally correlated within watersheds, suggesting the presence of hotspots – watersheds where increases in multiple ecosystem services would come at lower-than-average opportunity costs. When assessing the monetary value of ecosystem services relative to existing conservation programs and environmental markets, the overall value of enhanced services associated with adoption of perennial energy crops was far lower than the opportunity cost. However, when we monitized services using estimates for the social costs of pollution, the value of enhanced services far exceeded the opportunity cost. This disparity between recoverable costs and social value represents a fundamental challenge to expansion of perennial energy crops and sustainable agricultural landscapes. PMID:24223215

Ecosystem-service tradeoffs associated with switching from annual to perennial energy crops in riparian zones of the US Midwest.

PubMed

Meehan, Timothy D; Gratton, Claudio; Diehl, Erica; Hunt, Natalie D; Mooney, Daniel F; Ventura, Stephen J; Barham, Bradford L; Jackson, Randall D

2013-01-01

Integration of energy crops into agricultural landscapes could promote sustainability if they are placed in ways that foster multiple ecosystem services and mitigate ecosystem disservices from existing crops. We conducted a modeling study to investigate how replacing annual energy crops with perennial energy crops along Wisconsin waterways could affect a variety of provisioning and regulating ecosystem services. We found that a switch from continuous corn production to perennial-grass production decreased annual income provisioning by 75%, although it increased annual energy provisioning by 33%, decreased annual phosphorous loading to surface water by 29%, increased below-ground carbon sequestration by 30%, decreased annual nitrous oxide emissions by 84%, increased an index of pollinator abundance by an average of 11%, and increased an index of biocontrol potential by an average of 6%. We expressed the tradeoffs between income provisioning and other ecosystem services as benefit-cost ratios. Benefit-cost ratios averaged 12.06 GJ of additional net energy, 0.84 kg of avoided phosphorus pollution, 18.97 Mg of sequestered carbon, and 1.99 kg of avoided nitrous oxide emissions for every $1,000 reduction in income. These ratios varied spatially, from 2- to 70-fold depending on the ecosystem service. Benefit-cost ratios for different ecosystem services were generally correlated within watersheds, suggesting the presence of hotspots--watersheds where increases in multiple ecosystem services would come at lower-than-average opportunity costs. When assessing the monetary value of ecosystem services relative to existing conservation programs and environmental markets, the overall value of enhanced services associated with adoption of perennial energy crops was far lower than the opportunity cost. However, when we monitized services using estimates for the social costs of pollution, the value of enhanced services far exceeded the opportunity cost. This disparity between recoverable costs and social value represents a fundamental challenge to expansion of perennial energy crops and sustainable agricultural landscapes.

Statistical Analysis on the Performance of Molecular Mechanics Poisson–Boltzmann Surface Area versus Absolute Binding Free Energy Calculations: Bromodomains as a Case Study

PubMed Central

2017-01-01

Binding free energy calculations that make use of alchemical pathways are becoming increasingly feasible thanks to advances in hardware and algorithms. Although relative binding free energy (RBFE) calculations are starting to find widespread use, absolute binding free energy (ABFE) calculations are still being explored mainly in academic settings due to the high computational requirements and still uncertain predictive value. However, in some drug design scenarios, RBFE calculations are not applicable and ABFE calculations could provide an alternative. Computationally cheaper end-point calculations in implicit solvent, such as molecular mechanics Poisson–Boltzmann surface area (MMPBSA) calculations, could too be used if one is primarily interested in a relative ranking of affinities. Here, we compare MMPBSA calculations to previously performed absolute alchemical free energy calculations in their ability to correlate with experimental binding free energies for three sets of bromodomain–inhibitor pairs. Different MMPBSA approaches have been considered, including a standard single-trajectory protocol, a protocol that includes a binding entropy estimate, and protocols that take into account the ligand hydration shell. Despite the improvements observed with the latter two MMPBSA approaches, ABFE calculations were found to be overall superior in obtaining correlation with experimental affinities for the test cases considered. A difference in weighted average Pearson () and Spearman () correlations of 0.25 and 0.31 was observed when using a standard single-trajectory MMPBSA setup ( = 0.64 and = 0.66 for ABFE; = 0.39 and = 0.35 for MMPBSA). The best performing MMPBSA protocols returned weighted average Pearson and Spearman correlations that were about 0.1 inferior to ABFE calculations: = 0.55 and = 0.56 when including an entropy estimate, and = 0.53 and = 0.55 when including explicit water molecules. Overall, the study suggests that ABFE calculations are indeed the more accurate approach, yet there is also value in MMPBSA calculations considering the lower compute requirements, and if agreement to experimental affinities in absolute terms is not of interest. Moreover, for the specific protein–ligand systems considered in this study, we find that including an explicit ligand hydration shell or a binding entropy estimate in the MMPBSA calculations resulted in significant performance improvements at a negligible computational cost. PMID:28786670

The effect of state-level funding on energy efficiency outcomes

NASA Astrophysics Data System (ADS)

Downs, Anna

Increasingly, states are formalizing energy efficiency policies. In 2010, states required utilities to budget $5.5 billion through ratepayer-funded energy efficiency programs, investing in both electricity and natural gas programs. However the size and spread of energy efficiency programs was strikingly different from state to state. This paper examines how far each dollar of state-level energy efficiency funding goes in producing efficiency gains. Many states have also pursued innovative policy actions to conserve electricity. Measures of policy effort are also included in this study, along with average electricity prices. The only variable that is consistently correlated with energy usage intensity across all models is electricity price. As politicians at local, state, and Federal levels continue to push for improved energy efficiency, the models in this paper provide a convincing impetus for focusing on strategies that raise energy prices.

Does metabolic compensation explain the majority of less-than-expected weight loss in obese adults during a short-term severe diet and exercise intervention?

PubMed

Byrne, N M; Wood, R E; Schutz, Y; Hills, A P

2012-11-01

We investigated to what extent changes in metabolic rate and composition of weight loss explained the less-than-expected weight loss in obese men and women during a diet-plus-exercise intervention. In all, 16 obese men and women (41 ± 9 years; body mass index (BMI) 39 ± 6 kg m(-2)) were investigated in energy balance before, after and twice during a 12-week very-low-energy diet(565-650 kcal per day) plus exercise (aerobic plus resistance training) intervention. The relative energy deficit (EDef) from baseline requirements was severe (74%-87%). Body composition was measured by deuterium dilution and dual energy X-ray absorptiometry, and resting metabolic rate (RMR) was measured by indirect calorimetry. Fat mass (FM) and fat-free mass (FFM) were converted into energy equivalents using constants 9.45 kcal per g FM and 1.13 kcal per g FFM. Predicted weight loss was calculated from the EDef using the '7700 kcal kg(-1) rule'. Changes in weight (-18.6 ± 5.0 kg), FM (-15.5 ± 4.3 kg) and FFM (-3.1 ± 1.9 kg) did not differ between genders. Measured weight loss was on average 67% of the predicted value, but ranged from 39% to 94%. Relative EDef was correlated with the decrease in RMR (R=0.70, P<0.01), and the decrease in RMR correlated with the difference between actual and expected weight loss (R=0.51, P<0.01). Changes in metabolic rate explained on average 67% of the less-than-expected weight loss, and variability in the proportion of weight lost as FM accounted for a further 5%. On average, after adjustment for changes in metabolic rate and body composition of weight lost, actual weight loss reached 90% of the predicted values. Although weight loss was 33% lower than predicted at baseline from standard energy equivalents, the majority of this differential was explained by physiological variables. Although lower-than-expected weight loss is often attributed to incomplete adherence to prescribed interventions, the influence of baseline calculation errors and metabolic downregulation should not be discounted.

MO-DE-207A-05: Dictionary Learning Based Reconstruction with Low-Rank Constraint for Low-Dose Spectral CT

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

Xu, Q; Stanford University School of Medicine, Stanford, CA; Liu, H

Purpose: Spectral CT enabled by an energy-resolved photon-counting detector outperforms conventional CT in terms of material discrimination, contrast resolution, etc. One reconstruction method for spectral CT is to generate a color image from a reconstructed component in each energy channel. However, given the radiation dose, the number of photons in each channel is limited, which will result in strong noise in each channel and affect the final color reconstruction. Here we propose a novel dictionary learning method for spectral CT that combines dictionary-based sparse representation method and the patch based low-rank constraint to simultaneously improve the reconstruction in each channelmore » and to address the inter-channel correlations to further improve the reconstruction. Methods: The proposed method has two important features: (1) guarantee of the patch based sparsity in each energy channel, which is the result of the dictionary based sparse representation constraint; (2) the explicit consideration of the correlations among different energy channels, which is realized by patch-by-patch nuclear norm-based low-rank constraint. For each channel, the dictionary consists of two sub-dictionaries. One is learned from the average of the images in all energy channels, and the other is learned from the average of the images in all energy channels except the current channel. With average operation to reduce noise, these two dictionaries can effectively preserve the structural details and get rid of artifacts caused by noise. Combining them together can express all structural information in current channel. Results: Dictionary learning based methods can obtain better results than FBP and the TV-based method. With low-rank constraint, the image quality can be further improved in the channel with more noise. The final color result by the proposed method has the best visual quality. Conclusion: The proposed method can effectively improve the image quality of low-dose spectral CT. This work is partially supported by the National Natural Science Foundation of China (No. 61302136), and the Natural Science Basic Research Plan in Shaanxi Province of China (No. 2014JQ8317).« less

Spectral optimized asymmetric segmented phase-only correlation filter.

PubMed

Leonard, I; Alfalou, A; Brosseau, C

2012-05-10

We suggest a new type of optimized composite filter, i.e., the asymmetric segmented phase-only filter (ASPOF), for improving the effectiveness of a VanderLugt correlator (VLC) when used for face identification. Basically, it consists in merging several reference images after application of a specific spectral optimization method. After segmentation of the spectral filter plane to several areas, each area is assigned to a single winner reference according to a new optimized criterion. The point of the paper is to show that this method offers a significant performance improvement on standard composite filters for face identification. We first briefly revisit composite filters [adapted, phase-only, inverse, compromise optimal, segmented, minimum average correlation energy, optimal trade-off maximum average correlation, and amplitude-modulated phase-only (AMPOF)], which are tools of choice for face recognition based on correlation techniques, and compare their performances with those of the ASPOF. We illustrate some of the drawbacks of current filters for several binary and grayscale image identifications. Next, we describe the optimization steps and introduce the ASPOF that can overcome these technical issues to improve the quality and the reliability of the correlation-based decision. We derive performance measures, i.e., PCE values and receiver operating characteristic curves, to confirm consistency of the results. We numerically find that this filter increases the recognition rate and decreases the false alarm rate. The results show that the discrimination of the ASPOF is comparable to that of the AMPOF, but the ASPOF is more robust than the trade-off maximum average correlation height against rotation and various types of noise sources. Our method has several features that make it amenable to experimental implementation using a VLC.

A Meta-Analysis of Single-Family Deep Energy Retrofit Performance in the U.S.

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

Less, Brennan; Walker, Iain

2014-03-01

The current state of Deep Energy Retrofit (DER) performance in the U.S. has been assessed in 116 homes in the United States (US), using actual and simulated data gathered from the available domestic literature. Substantial airtightness reductions averaging 63% (n=48) were reported (two- to three-times more than in conventional retrofits), with average post-retrofit airtightness of 4.7 Air Changes per House at 50 Pascal (ACH50) (n=94). Yet, mechanical ventilation was not installed consistently. In order to avoid indoor air quality (IAQ) issues, all future DERs should comply with ASHRAE 62.2-2013 requirements or equivalent. Projects generally achieved good energy results, with averagemore » annual net-site and net-source energy savings of 47%±20% and 45%±24% (n=57 and n=35), respectively, and carbon emission reductions of 47%±22% (n=23). Net-energy reductions did not vary reliably with house age, airtightness, or reported project costs, but pre-retrofit energy usage was correlated with total reductions (MMBtu). Annual energy costs were reduced $1,283±$804 (n=31), from a pre-retrofit average of $2,738±$1,065 to $1,588±$561 post-retrofit (n=25 and n=39). The average reported incremental project cost was $40,420±$30,358 (n=59). When financed on a 30-year term, the median change in net-homeownership cost was only $1.00 per month, ranging from $149 in savings to an increase of $212 (mean=$15.67±$87.74; n=28), and almost half of the projects resulted in reductions in net-cost. The economic value of a DER may be much greater than is suggested by these net-costs, because DERs entail substantial non-energy benefits (NEBs), and retrofit measures may add value to a home at resale similarly to general remodeling, PV panel installation, and green/energy efficient home labels. These results provide estimates of the potential of DERs to address energy use in existing homes across climate zones that can be used in future estimates of the technical potential to reduce household energy use and greenhouse gas emissions through DERs.« less

Equations of state and transport properties of mixtures in the warm dense regime

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

Hou, Yong; Dai, Jiayu; Kang, Dongdong

2015-02-15

We have performed average-atom molecular dynamics to simulate the CH and LiH mixtures in the warm dense regime, and obtained equations of state and the ionic transport properties. The electronic structures are calculated by using the modified average-atom model, which have included the broadening of energy levels, and the ion-ion pair potentials of mixtures are constructed based on the temperature-dependent density functional theory. The ionic transport properties, such as ionic diffusion and shear viscosity, are obtained through the ionic velocity correlation functions. The equations of state and transport properties for carbon, hydrogen and lithium, hydrogen mixtures in a wide regionmore » of density and temperature are calculated. Through our computing the average ionization degree, average ion-sphere diameter and transition properties in the mixture, it is shown that transport properties depend not only on the ionic mass but also on the average ionization degree.« less

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

Lapsa, Melissa Voss; Khowailed, Gannate

The heating and cooling equipment market in the United States (U.S.) evolved in the last two decades affected by the housing market and external market conditions. The average home size increased by 25% since 1999, contributing to increased average equipment size of heat pumps (HPs) and air conditioners (ACs). The home size increase did not correlate with higher residential energy used. The last decade is recognized for improved home insulation and equipment efficiency, which has made up for the larger home size and still yielded lower residential energy use. The lower energy use coincides with more homes using HPs. HPmore » growth was supported by the price stability and affordability of electricity. The heating and cooling equipment market also seems to be rebounding faster than the housing market after the economic crises. In 2009 only 22% of HPs were sold to new homes, reflecting increased heat pump sales for add-on and replacement applications. HPs are growing in popularity and becoming an established economic technology. The increased usage of HPs will result in reduced residential heating energy use and carbon dioxide emissions.« less

A quantum chemistry study on surface reactivity of pristine and carbon-substituted AlN nanotubes

NASA Astrophysics Data System (ADS)

Mahdaviani, Amir; Esrafili, Mehdi D.; Esrafili, Ali; Behzadi, Hadi

2013-09-01

A density functional theory investigation was performed to predict the surface reactivity of pristine and carbon-substituted (6,0) single-walled aluminum nitride nanotubes (AlNNTs). The properties determined include the electrostatic potentials VS(r) and average local ionization energies ĪS(r) on the surfaces of the investigated tubes. According to computed VS(r) results, the Al/N atoms in edge or cap regions show a different reactivity pattern than those at the middle portion of the tubes. Due to the carbon-substitution at the either Al or N sites of the tubes, the negative regions associated with nitrogen atoms are stronger than before. The prediction of surface reactivity and regioselectivity using average local ionization energies has been verified by atomic hydrogen chemisorption energies calculated for AlNNTs at the B3LYP/6-31 G* level. There is an acceptable correlation between the minima of ĪS(r) and the atomic hydrogen chemisorption energies, demonstrating that ĪS(r) provides an effective means for rapidly and economically assessing the relative reactivities of finite sized AlNNTs.

Correlation between oxygen adsorption energy and electronic structure of transition metal macrocyclic complexes.

PubMed

Liu, Kexi; Lei, Yinkai; Wang, Guofeng

2013-11-28

Oxygen adsorption energy is directly relevant to the catalytic activity of electrocatalysts for oxygen reduction reaction (ORR). In this study, we established the correlation between the O2 adsorption energy and the electronic structure of transition metal macrocyclic complexes which exhibit activity for ORR. To this end, we have predicted the molecular and electronic structures of a series of transition metal macrocyclic complexes with planar N4 chelation, as well as the molecular and electronic structures for the O2 adsorption on these macrocyclic molecules, using the density functional theory calculation method. We found that the calculated adsorption energy of O2 on the transition metal macrocyclic complexes was linearly related to the average position (relative to the lowest unoccupied molecular orbital of the macrocyclic complexes) of the non-bonding d orbitals (d(z(2)), d(xy), d(xz), and d(yz)) which belong to the central transition metal atom. Importantly, our results suggest that varying the energy level of the non-bonding d orbitals through changing the central transition metal atom and/or peripheral ligand groups could be an effective way to tuning their O2 adsorption energy for enhancing the ORR activity of transition metal macrocyclic complex catalysts.

LASER APPLICATIONS AND OTHER ASPECTS OF QUANTUM ELECTRONICS Nonlinearity, optoelectronic properties, and their correlations for some mixed ternary defect chalcopyrites

NASA Astrophysics Data System (ADS)

Dutta Roy, S.

2010-12-01

The refractive index, optical nonlinearity, lowest energy band gap, and other related parameters of some mixed defect ternary chalcopyrites are calculated using Levine's bond charge model and its modification developed by Samanta et al. for multinary and mixed compounds. The dependence of the band gap energy on the average quantum number, molecular weight, and anion displacement parameter is shown for the first time, which will be very useful for designing various optoelectronic and nonlinear laser devices.

[Height and weight growth delay and protein-energy malnutrition in children with chronic dialysis].

PubMed

Perţea, L; Diaconeasa, Lavinia; Burlea, M; Munteanu, Mihaela; Brumariu, O

2010-01-01

Growth retardation is an important problem in children with chronic renal disease, and malnutrition is a determinative factor. The study intends to assess the relationship between protein-energy malnutrition and stature-weight retardation in children enrolled in chronic dialysis program. The study group was composed of 16 children (5 boys and 11 girls--sex ratio of 2.2) hospitalized in the IVth Nephrology Clinic at Clinical Emergency Hospital "St. Maria" Iaşi, 13 rural and 3 urban, aged between 9 and 17 years, with chronic dialysis program. This was a follow-up study during a period of 4 years (2006-2009), resulting in correlations between anthropometric paremeters, biochemical, BIA and DEXA data. The stature-weight deficiency of the 16 patients was as follows: after an average period of 61.7 months of HD and 32.7 months of PD, in children older than 12 years (mean age 15.27 years), 7 of 10 had stature-weight deficits higher than (-3DS) or (-4DS). The group with less than (-2DS) stature-weight deficits showed the same mean age of 15.2 years, the protein energy-malnutrition was present in 2 cases (33%) and was attributed to a dialysis period shorter than 13.8 months. The late diagnosis of the disease (at an average age of 13 years), the long period of chronic dialysis program (over 39.5 months on average) and the early debut of malnutrition are favoring or worsening factors of stature-weight retardation. After correlating ESG with biochemical, BIA and DEXA data, in our group were identified 4 cases of moderate malnutrition and 9 cases of severe malnutrition.

The insertion torque-depth curve integral as a measure of implant primary stability: An in vitro study on polyurethane foam blocks.

PubMed

Di Stefano, Danilo Alessio; Arosio, Paolo; Gastaldi, Giorgio; Gherlone, Enrico

2017-07-08

Recent research has shown that dynamic parameters correlate with insertion energy-that is, the total work needed to place an implant into its site-might convey more reliable information concerning immediate implant primary stability at insertion than the commonly used insertion torque (IT), the reverse torque (RT), or the implant stability quotient (ISQ). Yet knowledge on these dynamic parameters is still limited. The purpose of this in vitro study was to evaluate whether an energy-related parameter, the torque-depth curve integral (I), could be a reliable measure of primary stability. This was done by assessing if (I) measurement was operator-independent, by investigating its correlation with other known primary stability parameters (IT, RT, or ISQ) by quantifying the (I) average error and correlating (I), IT, RT, and ISQ variations with bone density. Five operators placed 200 implants in polyurethane foam blocks of different densities using a micromotor that calculated the (I) during implant placement. Primary implant stability was assessed by measuring the ISQ, IT, and RT. ANOVA tests were used to evaluate whether measurements were operator independent (P>.05 in all cases). A correlation analysis was performed between (I) and IT, ISQ, and RT. The (I) average error was calculated and compared with that of the other parameters by ANOVA. (I)-density, IT-density, ISQ-density, and RT-density plots were drawn, and their slopes were compared by ANCOVA. The (I) measurements were operator independent and correlated with IT, ISQ, and RT. The average error of these parameters was not significantly different (P>.05 in all cases). The (I)-density, IT-density, ISQ-density, and RT-density curves were linear in the 0.16 to 0.49 g/cm³ range, with the (I)-density curves having a significantly greater slope than those regarding the other parameters (P≤.001 in all cases). The torque-depth curve integral (I) provides a reliable assessment of primary stability and shows a greater sensitivity to density variations than other known primary stability parameters. Copyright © 2017 Editorial Council for the Journal of Prosthetic Dentistry. Published by Elsevier Inc. All rights reserved.

Influence of wheat kernel physical properties on the pulverizing process.

PubMed

Dziki, Dariusz; Cacak-Pietrzak, Grażyna; Miś, Antoni; Jończyk, Krzysztof; Gawlik-Dziki, Urszula

2014-10-01

The physical properties of wheat kernel were determined and related to pulverizing performance by correlation analysis. Nineteen samples of wheat cultivars about similar level of protein content (11.2-12.8 % w.b.) and obtained from organic farming system were used for analysis. The kernel (moisture content 10 % w.b.) was pulverized by using the laboratory hammer mill equipped with round holes 1.0 mm screen. The specific grinding energy ranged from 120 kJkg(-1) to 159 kJkg(-1). On the basis of data obtained many of significant correlations (p < 0.05) were found between wheat kernel physical properties and pulverizing process of wheat kernel, especially wheat kernel hardness index (obtained on the basis of Single Kernel Characterization System) and vitreousness significantly and positively correlated with the grinding energy indices and the mass fraction of coarse particles (> 0.5 mm). Among the kernel mechanical properties determined on the basis of uniaxial compression test only the rapture force was correlated with the impact grinding results. The results showed also positive and significant relationships between kernel ash content and grinding energy requirements. On the basis of wheat physical properties the multiple linear regression was proposed for predicting the average particle size of pulverized kernel.

Evaluating MRI based vascular wall motion as a biomarker of Fontan hemodynamic performance

NASA Astrophysics Data System (ADS)

Menon, Prahlad G.; Hong, Haifa

2015-03-01

The Fontan procedure for single-ventricle heart disease involves creation of pathways to divert venous blood from the superior & inferior venacavae (SVC, IVC) directly into the pulmonary arteries (PA), bypassing the right ventricle. For optimal surgical outcomes, venous flow energy loss in the resulting vascular construction must be minimized and ensuring close to equal flow distribution from the Fontan conduit connecting IVC to the left & right PA is paramount. This requires patient-specific hemodynamic evaluation using computational fluid dynamics (CFD) simulations which are often time and resource intensive, limiting applicability for real-time patient management in the clinic. In this study, we report preliminary efforts at identifying a new non-invasive imaging based surrogate for CFD simulated hemodynamics. We establish correlations between computed hemodynamic criteria from CFD modeling and cumulative wall displacement characteristics of the Fontan conduit quantified from cine cardiovascular MRI segmentations over time (i.e. 20 cardiac phases gated from the start of ventricular systole), in 5 unique Fontan surgical connections. To focus our attention on diameter variations while discounting side-to-side swaying motion of the Fontan conduit, the difference between its instantaneous regional expansion and inward contraction (averaged across the conduit) was computed and analyzed. Maximum Fontan conduit-average expansion over the cardiac cycle correlated with the anatomy-specific diametric offset between the axis of the IVC and SVC (r2=0.13, p=0.55) - a known factor correlated with Fontan energy loss and IVC-to-PA flow distribution. Investigation in a larger study cohort is needed to establish stronger statistical correlations.

Comparison and verification of two models which predict minimum principal in situ stress from triaxial data

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

Harikrishnan, R.; Hareland, G.; Warpinski, N.R.

This paper evaluates the correlation between values of minimum principal in situ stress derived from two different models which use data obtained from triaxial core tests and coefficient for earth at rest correlations. Both models use triaxial laboratory tests with different confining pressures. The first method uses a vcrified fit to the Mohr failure envelope as a function of average rock grain size, which was obtained from detailed microscopic analyses. The second method uses the Mohr-Coulomb failure criterion. Both approaches give an angle in internal friction which is used to calculate the coefficient for earth at rest which gives themore » minimum principal in situ stress. The minimum principal in situ stress is then compared to actual field mini-frac test data which accurately determine the minimum principal in situ stress and are used to verify the accuracy of the correlations. The cores and the mini-frac stress test were obtained from two wells, the Gas Research Institute`s (GRIs) Staged Field Experiment (SFE) no. 1 well through the Travis Peak Formation in the East Texas Basin, and the Department of Energy`s (DOE`s) Multiwell Experiment (MWX) wells located west-southwest of the town of Rifle, Colorado, near the Rulison gas field. Results from this study indicates that the calculated minimum principal in situ stress values obtained by utilizing the rock failure envelope as a function of average rock grain size correlation are in better agreement with the measured stress values (from mini-frac tests) than those obtained utilizing Mohr-Coulomb failure criterion.« less

Statistical errors in molecular dynamics averages

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

Schiferl, S.K.; Wallace, D.C.

1985-11-15

A molecular dynamics calculation produces a time-dependent fluctuating signal whose average is a thermodynamic quantity of interest. The average of the kinetic energy, for example, is proportional to the temperature. A procedure is described for determining when the molecular dynamics system is in equilibrium with respect to a given variable, according to the condition that the mean and the bandwidth of the signal should be sensibly constant in time. Confidence limits for the mean are obtained from an analysis of a finite length of the equilibrium signal. The role of serial correlation in this analysis is discussed. The occurence ofmore » unstable behavior in molecular dynamics data is noted, and a statistical test for a level shift is described.« less

Correlations of neutron multiplicity and γ -ray multiplicity with fragment mass and total kinetic energy in spontaneous fission of Cf 252

DOE PAGES

Wang, Taofeng; Li, Guangwu; Zhu, Liping; ...

2016-01-08

The dependence of correlations of neutron multiplicity ν and γ-ray multiplicity M γ in spontaneous fission of 252Cf on fragment mass A* and total kinetic energy (TKE) have been investigated by employing the ratio of M γ/ν and the form of M γ(ν). We show for the first time that M γ and ν have a complex correlation for heavy fragment masses, while there is a positive dependence of Mγ for light fragment masses and for near-symmetric mass splits. The ratio M γ/ν exhibits strong shell effects for neutron magic number N=50 and near doubly magic number shell closure atmore » Z=50 and N=82. The γ-ray multiplicity Mγ has a maximum for TKE=165-170 MeV. Above 170 MeV M γ(TKE) is approximately linear, while it deviates significantly from a linear dependence at lower TKE. The correlation between the average neutron and γ-ray multiplicities can be partly reproduced by model calculations.« less

Oscillating-Flow Regenerator Test Rig: Hardware and Theory With Derived Correlations for Screens and Felts

NASA Technical Reports Server (NTRS)

Gedeon, D.; Wood, J. G.

1996-01-01

A number of wire mesh and metal felt test samples, with a range of porosities, yield generic correlations for friction factor, Nusselt number, enhanced axial conduction ratio, and overall heat flux ratio. This information is directed primarily toward stirling cycle regenerator modelers, but will be of use to anyone seeking to better model fluid flow through these porous materials. Behind these results lies an oscillating-flow test rig, which measures pumping dissipation and thermal energy transport in sample matrices, and several stages of data-reduction software, which correlate instantaneous values for the above dimensionless groups. Within the software, theoretical model reduces instantaneous quantifies from cycle-averaged measurables using standard parameter estimation techniques.

Evaluation of the dietary intake of homebound elderly and the feasibility of dietary supplementation.

PubMed

Gray-Donald, K; Payette, H; Boutier, V; Page, S

1994-06-01

The dietary intake of elderly subjects receiving home care services (n = 145) was studied to assess the adequacy of their intake, and their ability to maintain normal body weight. In a second part of the study, the feasibility of providing nutrient supplements to underweight subjects or those with important recent weight loss was evaluated. For the survey, three 24-hour recalls, height, weight and lifestyle habits were evaluated in a home interview and two follow-up telephone contacts. The effects of dietary supplementation of 14 subjects at risk of malnutrition (underweight or with substantial weight loss) over 12 weeks were evaluated. Mean energy intake for the entire group was low (males 1546 kcal; females 1152 kcal) and on average barely covered estimated resting energy expenditure. Recent weight loss was negatively correlated with energy intake among underweight subjects (R = -0.64; p < 0.001). Dietary supplementation resulted in an average increase in daily intake of 390 kcal with an average weight gain of 1.27 kg over the 12-week period. Weight change was directly associated with measures of functional status; hand-grip strength (r = 0.75; p = 0.002) and general well-being score (r = 0.46; p = 0.095). Homebound elderly were at high risk of inadequate protein and energy intake. Dietary supplementation in high risk individuals was well tolerated and led to modest weight gain and improvements in general well-being.

Correlations between reaction product yields as a tool for probing heavy-ion reaction scenarios

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

Gawlikowicz, W.; Heavy-Ion Laboratory, Warsaw University, PL-02-093 Warsaw; Agnihotri, D. K.

2010-01-15

Experimental multidimensional joint distributions of neutrons and charged reaction products were analyzed for {sup 136}Xe + {sup 209}Bi reactions at E/A=28, 40, and 62 MeV and were found to exhibit several different types of prominent correlation patterns. Some of these correlations have a simple explanation in terms of the system excitation energy and pose little challenge to most statistical decay theories. However, several other types of correlation patterns are difficult to reconcile with some, but not other, possible reaction scenarios. In this respect, correlations between the average atomic numbers of intermediate-mass fragments, on the one hand, and light particle multiplicities,more » on the other, are notable. This kind of multiparticle correlation provides a useful tool for probing reaction scenarios, which is different from the traditional approach of interpreting inclusive yields of individual reaction products.« less

Kinetic energy equations for the average-passage equation system

NASA Technical Reports Server (NTRS)

Johnson, Richard W.; Adamczyk, John J.

1989-01-01

Important kinetic energy equations derived from the average-passage equation sets are documented, with a view to their interrelationships. These kinetic equations may be used for closing the average-passage equations. The turbulent kinetic energy transport equation used is formed by subtracting the mean kinetic energy equation from the averaged total instantaneous kinetic energy equation. The aperiodic kinetic energy equation, averaged steady kinetic energy equation, averaged unsteady kinetic energy equation, and periodic kinetic energy equation, are also treated.

Mass Yields and Average Total Kinetic Energy Release in Fission for 235U, 238U, and 239Pu

NASA Astrophysics Data System (ADS)

Duke, Dana

2015-10-01

Mass yield distributions and average total kinetic energy (TKE) in neutron induced fission of 235U, 238U, and 239Pu targets were measured with a gridded ionization chamber. Despite decades of fission research, our understanding of how fragment mass yields and TKE depend on incident neutron energy is limited, especially at higher energies (above 5-10 MeV). Improved accuracy in these quantities is important for nuclear technology as it enhances our simulation capabilities and increases the confidence in diagnostic tools. The data can also guide and validate theoretical fission models where the correlation between the fragment mass and TKE is of particular value for constraining models. The Los Alamos Neutron Science Center - Weapons Neutron Research (LANSCE - WNR) provides a neutron beam with energies from thermal to hundreds of MeV, well-suited for filling in the gaps in existing data and exploring fission behavior in the fast neutron region. The results of the studies on target nuclei 235U, 238U, and 239Pu will be presented with a focus on exploring data trends as a function of neutron energy from thermal through 30 MeV. Results indicate clear evidence of structure due to multi-chance fission in the TKE . LA-UR-15-24761.

ON THE MAGNETIC AND ENERGY CHARACTERISTICS OF RECURRENT HOMOLOGOUS JETS FROM AN EMERGING FLUX

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

Liu, Jiajia; Wang, Yuming; Liu, Rui

In this paper, we present the detailed analysis of recurrent homologous jets originating from an emerging negative magnetic flux at the edge of an active region. The observed jets show multithermal features. Their evolution shows high consistence with the characteristic parameters of the emerging flux, suggesting that with more free magnetic energy, the eruptions tend to be more violent, frequent, and blowout-like. The average temperature, average electron number density, and axial speed are found to be similar for different jets, indicating that they should have been formed by plasmas from similar origins. Statistical analysis of the jets and their footpointmore » region conditions reveals a strong positive relationship between the footpoint region total 131 Å intensity enhancement and jets’ length/width. Stronger linearly positive relationships also exist between the total intensity enhancement/thermal energy of the footpoint regions and jets’ mass/kinetic/thermal energy, with higher cross-correlation coefficients. All the above results together confirm the direct relationship between the magnetic reconnection and the jets and validate the important role of magnetic reconnection in transporting large amounts of free magnetic energy into jets. It is also suggested that there should be more free energy released during the magnetic reconnection of blowout than of standard jet events.« less

The RPA Atomization Energy Puzzle.

PubMed

Ruzsinszky, Adrienn; Perdew, John P; Csonka, Gábor I

2010-01-12

There is current interest in the random phase approximation (RPA), a "fifth-rung" density functional for the exchange-correlation energy. RPA has full exact exchange and constructs the correlation with the help of the unoccupied Kohn-Sham orbitals. In many cases (uniform electron gas, jellium surface, and free atom), the correction to RPA is a short-ranged effect that is captured by a local spin density approximation (LSDA) or a generalized gradient approximation (GGA). Nonempirical density functionals for the correction to RPA were constructed earlier at the LSDA and GGA levels (RPA+), but they are constructed here at the fully nonlocal level (RPA++), using the van der Waals density functional (vdW-DF) of Langreth, Lundqvist, and collaborators. While they make important and helpful corrections to RPA total and ionization energies of free atoms, they correct the RPA atomization energies of molecules by only about 1 kcal/mol. Thus, it is puzzling that RPA atomization energies are, on average, about 10 kcal/mol lower than those of accurate values from experiment. We find here that a hybrid of 50% Perdew-Burke-Ernzerhof GGA with 50% RPA+ yields atomization energies much more accurate than either one does alone. This suggests a solution to the puzzle: While the proper correction to RPA is short-ranged in some systems, its contribution to the correlation hole can spread out in a molecule with multiple atomic centers, canceling part of the spread of the exact exchange hole (more so than in RPA or RPA+), making the true exchange-correlation hole more localized than in RPA or RPA+. This effect is not captured even by the vdW-DF nonlocality, but it requires the different kind of full nonlocality present in a hybrid functional.

Quantitative study of fluctuation effects by fast lattice Monte Carlo simulations: Compression of grafted homopolymers

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

Zhang, Pengfei; Wang, Qiang, E-mail: q.wang@colostate.edu

2014-01-28

Using fast lattice Monte Carlo (FLMC) simulations [Q. Wang, Soft Matter 5, 4564 (2009)] and the corresponding lattice self-consistent field (LSCF) calculations, we studied a model system of grafted homopolymers, in both the brush and mushroom regimes, in an explicit solvent compressed by an impenetrable surface. Direct comparisons between FLMC and LSCF results, both of which are based on the same Hamiltonian (thus without any parameter-fitting between them), unambiguously and quantitatively reveal the fluctuations/correlations neglected by the latter. We studied both the structure (including the canonical-ensemble averages of the height and the mean-square end-to-end distances of grafted polymers) and thermodynamicsmore » (including the ensemble-averaged reduced energy density and the related internal energy per chain, the differences in the Helmholtz free energy and entropy per chain from the uncompressed state, and the pressure due to compression) of the system. In particular, we generalized the method for calculating pressure in lattice Monte Carlo simulations proposed by Dickman [J. Chem. Phys. 87, 2246 (1987)], and combined it with the Wang-Landau–Optimized Ensemble sampling [S. Trebst, D. A. Huse, and M. Troyer, Phys. Rev. E 70, 046701 (2004)] to efficiently and accurately calculate the free energy difference and the pressure due to compression. While we mainly examined the effects of the degree of compression, the distance between the nearest-neighbor grafting points, the reduced number of chains grafted at each grafting point, and the system fluctuations/correlations in an athermal solvent, the θ-solvent is also considered in some cases.« less

Validity of a new food frequency questionnaire for pregnant women in the Norwegian Mother and Child Cohort Study (MoBa).

PubMed

Brantsaeter, Anne Lise; Haugen, Margaretha; Alexander, Jan; Meltzer, Helle Margrete

2008-01-01

The aim of the present study was to examine the relative validity of foods and nutrients calculated by a new food frequency questionnaire (FFQ) in the Norwegian Mother and Child Cohort Study (MoBa). Reference measures were a 4-day weighed food diary (FD), a motion sensor for measuring total energy expenditure, one 24-h urine collection for analysis of nitrogen and iodine excretion, and a venous blood specimen for analysis of plasma 25-hydroxy-vitamin D and serum folate. A total of 119 women participated in the validation study, and 112 completed the motion sensor registration. Overall, the level of agreement between the FFQ and the FD was satisfactory, and significant correlations were found for all major food groups and for all nutrients except vitamin E. The average correlation coefficient between the FFQ and the FD for daily intake was 0.48 for foods and 0.36 for nutrients, and on average, 68% of the participants were classified into the same or adjacent quintiles by the two methods. Estimated total energy expenditure indicated that under-reporting of energy intake was more extensive with the FD than with the FFQ. The biological markers confirmed that the FFQ was able to distinguish between high and low intakes of nutrients, as measured by vitamin D, folate, protein and iodine. This validation study indicates that the MoBa FFQ produces reasonable valid intake estimates and is a valid tool to rank pregnant women according to low and high intakes of energy, nutrients and foods.

Electronic structures and geometries of the XF{sub 3} (X = Cl, Br, I, At) fluorides

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

Sergentu, Dumitru-Claudiu; CEISAM, UMR CNRS 6230, Université de Nantes, 2 Rue de la Houssinière, BP 92208, 44322 Nantes Cedex 3; Amaouch, Mohamed

The potential energy surfaces of the group 17 XF{sub 3} (X = Cl, Br, I, At) fluorides have been investigated for the first time with multiconfigurational wave function theory approaches. In agreement with experiment, bent T-shaped C{sub 2v} structures are computed for ClF{sub 3}, BrF{sub 3}, and IF{sub 3}, while we predict that an average D{sub 3h} structure would be experimentally observed for AtF{sub 3}. Electron correlation and scalar relativistic effects strongly reduce the energy difference between the D{sub 3h} geometry and the C{sub 2v} one, along the XF{sub 3} series, and in the X = At case, spin-orbit couplingmore » also slightly reduces this energy difference. AtF{sub 3} is a borderline system where the D{sub 3h} structure becomes a minimum, i.e., the pseudo-Jahn-Teller effect is inhibited since electron correlation and scalar-relativistic effects create small energy barriers leading to the global C{sub 2v} minima, although both types of effects interfere.« less

Breakfast food patterns among urban and rural Croatian schoolchildren.

PubMed

Colic Baric, Irena; Satalic, Zvonimir

2003-01-01

The aim of this study was to report breakfast food patterns among the rural and urban Croatian schoolchildren in the post-war socioeconomic changes. A quantitative Food Frequency Questionnaire was used. Subjects were 7-18 year old schoolchildren (815 from urban and 375 from rural areas). The average energy intake was 27.5 and 23.0% of the Recommended Dietary Allowance (RDA) in the urban and rural area respectively. Urban subjects tend to choose healthier options when older, while the rural subjects displayed the opposite (significantly correlated age with energy intake (% RDA) and dietary fibre intake (% of 'age + 5' rule). The same applied to age versus iron intake (urban positive, rural negative correlation). Breakfasts providing 20-30% RDA for energy and more than 300 mg of calcium were consumed by 20.7 and 32.4% of the urban and rural subjects respectively. Cereal products and milk and dairy products were the major breakfast constituents everywhere. Meat and its products, and eggs seem to be uncommon breakfast foods. The urban subjects had a more adequate energy intake at breakfast, but better food choices were observed among rural subjects.

Two-dimensional Electronic Double-Quantum Coherence Spectroscopy

PubMed Central

Kim, Jeongho; Mukamel, Shaul

2009-01-01

CONSPECTUS The theory of electronic structure of many-electron systems like molecules is extraordinarily complicated. A lot can be learned by considering how electron density is distributed, on average, in the average field of the other electrons in the system. That is, mean field theory. However, to describe quantitatively chemical bonds, reactions, and spectroscopy requires consideration of the way that electrons avoid each other by the way they move; this is called electron correlation (or in physics, the many-body problem for fermions). While great progress has been made in theory, there is a need for incisive experimental tests that can be undertaken for large molecular systems in the condensed phase. Here we report a two-dimensional (2D) optical coherent spectroscopy that correlates the double excited electronic states to constituent single excited states. The technique, termed two-dimensional double-coherence spectroscopy (2D-DQCS), makes use of multiple, time-ordered ultrashort coherent optical pulses to create double- and single-quantum coherences over time intervals between the pulses. The resulting two-dimensional electronic spectrum maps the energy correlation between the first excited state and two-photon allowed double-quantum states. The principle of the experiment is that when the energy of the double-quantum state, viewed in simple models as a double HOMO to LUMO excitation, equals twice that of a single excitation, then no signal is radiated. However, electron-electron interactions—a combination of exchange interactions and electron correlation—in real systems generates a signal that reveals precisely how the energy of the double-quantum resonance differs from twice the single-quantum resonance. The energy shift measured in this experiment reveals how the second excitation is perturbed by both the presence of the first excitation and the way that the other electrons in the system have responded to the presence of that first excitation. We compare a series of organic dye molecules and find that the energy offset for adding a second electronic excitation to the system relative to the first excitation is on the order of tens of milli-electronvolts, and it depends quite sensitively on molecular geometry. These results demonstrate the effectiveness of 2D-DQCS for elucidating quantitative information about electron-electron interactions, many-electron wavefunctions, and electron correlation in electronic excited states and excitons. PMID:19552412

Resting Energy Expenditure in Patients with Stroke during the Subacute Phases - Relationships with Stroke Types, Location, Severity of Paresis, and Activities of Daily Living.

PubMed

Kawakami, Michiyuki; Liu, Meigen; Wada, Ayako; Otsuka, Tomoyoshi; Nishimura, Atsuko

2015-01-01

The energy demands in patients with stroke during the subacute phases are unclear. However, this information is essential for appropriate clinical and nutritional management. The aims of this study were to determine the resting energy expenditure (REE) during the subacute phases, examine its relationships with stroke types, location, severity of hemiparesis, and activities of daily living (ADL), and evaluate whether estimation of REE from the Harris-Benedict equation (HB) requires the addition of a 'stress factor' to capture possible additional REE imposed by stroke. We measured REE in 95 patients with subacute stroke (53.5 ± 16.6 days post-stroke) with indirect calorimetry, and compared it with predicted values of energy expenditure estimated from the HB (expressed as percentage). Patients were admitted for rehabilitation of their first ischemic or nonsurgical hemorrhagic stroke. The severity of hemiparesis was assessed with the motor items of the Stroke Impairment Assessment Set (SIAS). The ADL was assessed with the Functional Independence Measure (FIM). We compared REE and %HB of the two groups divided by hemiparesis severity and ADL limitation using the Student's t-test, and those of the five groups divided by stroke location. The correlations between REE and the motor items of the SIAS and the FIM score were assessed with the Spearman rank correlation test. A multiple regression analysis for REE was conducted. The average body weight (BW) was 57.1 ± 11.3 kg. The average body mass index (BMI) was 22.5 ± 4.0. The mean REE (%HB) was 1,271 ± 284 kcal/day (106.0 ± 17.3%). REE and %HB of the low ADL group was less than that of the high ADL group (p < 0.05). The REE had a positive correlation with the FIM score (rs = 0.51, p < 0.01). The motor items of the SIAS were not significantly correlated with REE. BW, FIM, and stroke location were independent predictors of REE. Analysis of energy expenditure suggests that stroke patients are not hypermetabolic during the subacute phase. The 'stress factor' in stroke patients during the subacute phase was 1.0-1.1. This finding provides important information for improving nutritional management during the subacute phase in patients with stroke. © 2015 S. Karger AG, Basel.

SU-E-I-91: Quantitative Assessment of Early Hepatocellular Carcinoma and Cavernous Hemangioma of Live Using In-Line Phase-Contrast X-Ray Imaging

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

Duan, J

Purpose: To investigate the potential utility of in-line phase-contrast imaging (ILPCI) technique with synchrotron radiation in detecting early hepatocellular carcinoma and cavernous hemangioma of live using in vitro model system. Methods: Without contrast agents, three typical early hepatocellular carcinoma specimens and three typical cavernous hemangioma of live specimens were imaged using ILPCI. To quantitatively discriminate early hepatocellular carcinoma tissues and cavernous hemangioma tissues, the projection images texture feature based on gray level co-occurrence matrix (GLCM) were extracted. The texture parameters of energy, inertia, entropy, correlation, sum average, sum entropy, difference average, difference entropy and inverse difference moment, were obtained respectively.more » Results: In the ILPCI planar images of early hepatocellular carcinoma specimens, vessel trees were clearly visualized on the micrometer scale. Obvious distortion deformation was presented, and the vessel mostly appeared as a ‘dry stick’. Liver textures appeared not regularly. In the ILPCI planar images of cavernous hemangioma of live specimens, typical vessels had not been found compared with the early hepatocellular carcinoma planar images. The planar images of cavernous hemangioma of live specimens clearly displayed the dilated hepatic sinusoids with the diameter of less than 100 microns, but all of them were overlapped with each other. The texture parameters of energy, inertia, entropy, correlation, sum average, sum entropy, and difference average, showed a statistically significant between the two types specimens image (P<0.01), except the texture parameters of difference entropy and inverse difference moment(P>0.01). Conclusion: The results indicate that there are obvious changes in morphological levels including vessel structures and liver textures. The study proves that this imaging technique has a potential value in evaluating early hepatocellular carcinoma and cavernous hemangioma of live.« less

Overview of crew member energy expenditure during Shuttle Flight 61-8 EASE/ACCESS task performance

NASA Technical Reports Server (NTRS)

Horrigan, D. J.; Waligora, J. W.; Stanford, J.; Edwards, B. F.

1987-01-01

The energy expenditure of the Shuttle Flight 61-B crewmembers during the extravehicular performance of Experimental Assembly of Structures in EVA (EASE) and Assembly Concept of Construction of Space Structures (ACCESS) construction system tasks are reported. These data consist of metabolic rate time profiles correlated with specific EASE and ACCESS tasks and crew comments. Average extravehicular activity metabolic rates are computed and compared with those reported from previous Apollo, Shylab, and Shuttle flights. These data reflect total energy expenditure and not that of individual muscle groups such as hand and forearm. When correlated with specific EVA tasks and subtasks, the metabolic profile data is expected to be useful in planning future EVA protocols. For example, after experiencing high work rates and apparent overheating during some Gemini EVAs, it was found useful to carefully monitor work rates in subsequent flights to assess the adequacy of cooling garments and as an aid to preplanning EVA procedures. This presentation is represented by graphs and charts.

Reliability of hunger-related assessments during 24-hour fasts and their relationship to body composition and subsequent energy compensation.

PubMed

Tinsley, Grant M; Moore, M Lane; Graybeal, Austin J

2018-05-01

Many diets employ regular periods of fasting that extend beyond a typical overnight fast (i.e. intermittent fasting [IF]). Evaluation of acute fasting responses provides information concerning the potential theoretical rationale for IF. The purpose of the present investigation was to assess the test-retest reliability of hunger-related variables during 24-hour fasts and the relationship between these variables and body composition, as well as subsequent energy intake (EI) after fasting. Eleven participants (6 F, 5 M) completed two 24-hour fasts after being provided a 3-day standardized weight-maintenance diet. From 16 to 24 h of fasting, participants were directly observed and provided hourly assessments of hunger, desire to eat (DTE), prospective food consumption (PFC), fullness and energy. After the fast, participants were allowed ad libitum food consumption, and compensation was calculated as EI relative to weight-maintenance energy needs. Test-retest reliability for hunger-related assessments at particular durations of fasting was evaluated using intraclass correlation coefficients (ICC), changes in dependent variables were evaluated using ANOVA with repeated measures, and relationships between variables were explored using bivariate correlations. At 16 h of fasting, the ICCs for all hunger-related assessments were statistically significant (r = 0.67-0.91; p ≤ 0.05). However, as the fast progressed, reliability varied substantially. When averaged across the nine measurements, the ICCs were: 0.81 (fullness), 0.74 (PFC), 0.67 (energy), 0.44 (DTE) and 0.36 (hunger). Body fat percentage was significantly correlated with changes in PFC (r = 0.62, p = 0.04), hunger (r = 0.66, p = 0.03), DTE (r = 0.71, p = 0.02), and fullness (r = -0.63, p = 0.04), but not energy (r = -0.16, p = 0.64). Average EI compensation was only 60% of weight-maintenance needs, but substantial variability was observed (7 to 110% compensation). Compensation was significantly correlated with changes in PFC (r = 0.72, p = 0.01), hunger (r = 0.63, p = 0.04) and DTE (r = 0.60, p = 0.05), but not fullness (r = 0.58, p = 0.06) or energy (r = 0.35, p = 0.29). Compensation and body fat percentage were not correlated (r = 0.03, p = 0.94). The percent of energy intake from fat and protein increased after the fast (29.9 to 37.3% and 13.8 to 16.8%; p < 0.05), while the percent of energy intake from carbohydrate decreased (56.4 to 46.0%; p = 0.02). These results may have implications for IF programs. It is possible that the implementation of multiple "test fasts," in which subjective variables and subsequent energy intake are evaluated, could be used to identify candidates who may be more likely to benefit from an IF program. Copyright © 2018 Elsevier Inc. All rights reserved.

Optimized Hypernetted-Chain Solutions for Helium -4 Surfaces and Metal Surfaces

NASA Astrophysics Data System (ADS)

Qian, Guo-Xin

This thesis is a study of inhomogeneous Bose systems such as liquid ('4)He slabs and inhomogeneous Fermi systems such as the electron gas in metal films, at zero temperature. Using a Jastrow-type many-body wavefunction, the ground state energy is expressed by means of Bogoliubov-Born-Green-Kirkwood -Yvon and Hypernetted-Chain techniques. For Bose systems, Euler-Lagrange equations are derived for the one- and two -body functions and systematic approximation methods are physically motivated. It is shown that the optimized variational method includes a self-consistent summation of ladder- and ring-diagrams of conventional many-body theory. For Fermi systems, a linear potential model is adopted to generate the optimized Hartree-Fock basis. Euler-Lagrange equations are derived for the two-body correlations which serve to screen the strong bare Coulomb interaction. The optimization of the pair correlation leads to an expression of correlation energy in which the state averaged RPA part is separated. Numerical applications are presented for the density profile and pair distribution function for both ('4)He surfaces and metal surfaces. Both the bulk and surface energies are calculated in good agreement with experiments.

A quantitative quantum chemical model of the Dewar-Knott color rule for cationic diarylmethanes

NASA Astrophysics Data System (ADS)

Olsen, Seth

2012-04-01

We document the quantitative manifestation of the Dewar-Knott color rule in a four-electron, three-orbital state-averaged complete active space self-consistent field (SA-CASSCF) model of a series of bridge-substituted cationic diarylmethanes. We show that the lowest excitation energies calculated using multireference perturbation theory based on the model are linearly correlated with the development of hole density in an orbital localized on the bridge, and the depletion of pair density in the same orbital. We quantitatively express the correlation in the form of a generalized Hammett equation.

Probabilistic distribution and stochastic P-bifurcation of a hybrid energy harvester under colored noise

NASA Astrophysics Data System (ADS)

Mokem Fokou, I. S.; Nono Dueyou Buckjohn, C.; Siewe Siewe, M.; Tchawoua, C.

2018-03-01

In this manuscript, a hybrid energy harvesting system combining piezoelectric and electromagnetic transduction and subjected to colored noise is investigated. By using the stochastic averaging method, the stationary probability density functions of amplitudes are obtained and reveal interesting dynamics related to the long term behavior of the device. From stationary probability densities, we discuss the stochastic bifurcation through the qualitative change which shows that noise intensity, correlation time and other system parameters can be treated as bifurcation parameters. Numerical simulations are made for a comparison with analytical findings. The Mean first passage time (MFPT) is numerical provided in the purpose to investigate the system stability. By computing the Mean residence time (TMR), we explore the stochastic resonance phenomenon; we show how it is related to the correlation time of colored noise and high output power.

Development and validation of a Semi-quantitative food frequency questionnaire among older people in north of Iran

PubMed Central

Bijani, Ali; Esmaili, Haleh; Ghadimi, Reza; Babazadeh, Atekeh; Rezaei, Reyhaneh; G Cumming, Robert; Hosseini, Seyed Reza

2018-01-01

Background: The study was conducted to assess reliability of modified semi-quantitative food frequency questionnaire (SQFFQ) as a part of the Amirkola Health and Aging Project (AHAP). Methods: The study was carried out in a sample of 200 men and women aged 60 years and older. A 138-item SQFFQ and two 24-hour dietary recalls were completed. The reliability of SQFFQ was evaluated by comparing eighteen food groups, energy and nutrient intakes derived from both methods using Spearman and Pearson’s correlation coefficients for food groups and nutrients, respectively. Bland-Altman plots and Pitman’s tests were applied to compare the two dietary assessment methods. Results: The mean (SD) age of subjects was 68.16 (6.56) years. The average energy intake from 24-hour dietary recalls and the SQFFQ were 1470.2 and 1535.4 kcal/day, respectively. Spearman correlation coefficients, comparing food groups intake based on two dietary assessment methods ranged from 0.25 (meat) to 0.62 (tea and coffee) in men and from 0.39 (whole grains) to 0.60 (sugars) in women. Pearson correlation coefficients for energy and macronutrients were 0.53 for energy to 0.21 for zinc in male and 0.71 for energy to 0.26 for vitamin C in females. The Pitman’s test reflected the reasonable agreement between the mean energy and macronutrients of the SQFFQ and 24-hour recalls. Conclusions: The modified SQFFQ that was designed for the AHAP was found to be reliable for assessing the intake of several food groups, energy, micro-and macronutrients. PMID:29387324

Postprandial appetite ratings are reproducible and moderately related to total day energy intakes, but not ad libitum lunch energy intakes, in healthy young women.

PubMed

Tucker, Amy J; Heap, Sarah; Ingram, Jessica; Law, Marron; Wright, Amanda J

2016-04-01

Reproducibility and validity testing of appetite ratings and energy intakes are needed in experimental and natural settings. Eighteen healthy young women ate a standardized breakfast for 8 days. Days 1 and 8, they rated their appetite (Hunger, Fullness, Desire to Eat, Prospective Food Consumption (PFC)) over a 3.5 h period using visual analogue scales, consumed an ad libitum lunch, left the research center and recorded food intake for the remainder of the day. Days 2-7, participants rated their at-home Hunger at 0 and 30 min post-breakfast and recorded food intake for the day. Total area under the curve (AUC) over the 180 min period before lunch, and energy intakes were calculated. Reproducibility of satiety measures between days was evaluated using coefficients of repeatability (CR), coefficients of variation (CV) and intra-class coefficients (ri). Correlation analysis was used to examine validity between satiety measures. AUCs for Hunger, Desire to Eat and PFC (ri = 0.73-0.78), ad libitum energy intakes (ri = 0.81) and total day energy intakes (ri​ = 0.48) were reproducible; fasted ratings were not. Average AUCs for Hunger, Desire to Eat and PFC, Desire to Eat at nadir and PFC at fasting, nadir and 180 min were correlated to total day energy intakes (r = 0.50-0.77, P < 0.05), but no ratings were correlated to lunch consumption. At-home Hunger ratings were weakly reproducible but not correlated to reported total energy intakes. Satiety ratings did not concur with next meal intake but PFC ratings may be useful predictors of intake. Overall, this study adds to the limited satiety research on women and challenges the accepted measures of satiety in an experimental setting. Copyright © 2016 Elsevier Ltd. All rights reserved.

Lagrangian coherent structures separate dynamically distinct regions in fluid flows.

PubMed

Kelley, Douglas H; Allshouse, Michael R; Ouellette, Nicholas T

2013-07-01

Using filter-space techniques, we study the scale-to-scale transport of energy in a quasi-two-dimensional, weakly turbulent fluid flow averaged along the trajectories of fluid elements. We find that although the spatial mean of this Lagrangian-averaged flux is nearly unchanged from its Eulerian counterpart, the spatial structure of the scale-to-scale energy flux changes significantly. In particular, its features appear to correlate with the positions of Lagrangian coherent structures (LCS's). We show that the LCS's tend to lie at zeros of the scale-to-scale flux, and therefore that the LCS's separate regions that have qualitatively different dynamics. Since LCS's are also known to be impenetrable barriers to advection and mixing, we therefore find that the fluid on either side of an LCS is both kinematically and dynamically distinct. Our results extend the utility of LCS's by making clear the role they play in the flow dynamics in addition to the kinematics.

Statistical Analysis on the Performance of Molecular Mechanics Poisson-Boltzmann Surface Area versus Absolute Binding Free Energy Calculations: Bromodomains as a Case Study.

PubMed

Aldeghi, Matteo; Bodkin, Michael J; Knapp, Stefan; Biggin, Philip C

2017-09-25

Binding free energy calculations that make use of alchemical pathways are becoming increasingly feasible thanks to advances in hardware and algorithms. Although relative binding free energy (RBFE) calculations are starting to find widespread use, absolute binding free energy (ABFE) calculations are still being explored mainly in academic settings due to the high computational requirements and still uncertain predictive value. However, in some drug design scenarios, RBFE calculations are not applicable and ABFE calculations could provide an alternative. Computationally cheaper end-point calculations in implicit solvent, such as molecular mechanics Poisson-Boltzmann surface area (MMPBSA) calculations, could too be used if one is primarily interested in a relative ranking of affinities. Here, we compare MMPBSA calculations to previously performed absolute alchemical free energy calculations in their ability to correlate with experimental binding free energies for three sets of bromodomain-inhibitor pairs. Different MMPBSA approaches have been considered, including a standard single-trajectory protocol, a protocol that includes a binding entropy estimate, and protocols that take into account the ligand hydration shell. Despite the improvements observed with the latter two MMPBSA approaches, ABFE calculations were found to be overall superior in obtaining correlation with experimental affinities for the test cases considered. A difference in weighted average Pearson ([Formula: see text]) and Spearman ([Formula: see text]) correlations of 0.25 and 0.31 was observed when using a standard single-trajectory MMPBSA setup ([Formula: see text] = 0.64 and [Formula: see text] = 0.66 for ABFE; [Formula: see text] = 0.39 and [Formula: see text] = 0.35 for MMPBSA). The best performing MMPBSA protocols returned weighted average Pearson and Spearman correlations that were about 0.1 inferior to ABFE calculations: [Formula: see text] = 0.55 and [Formula: see text] = 0.56 when including an entropy estimate, and [Formula: see text] = 0.53 and [Formula: see text] = 0.55 when including explicit water molecules. Overall, the study suggests that ABFE calculations are indeed the more accurate approach, yet there is also value in MMPBSA calculations considering the lower compute requirements, and if agreement to experimental affinities in absolute terms is not of interest. Moreover, for the specific protein-ligand systems considered in this study, we find that including an explicit ligand hydration shell or a binding entropy estimate in the MMPBSA calculations resulted in significant performance improvements at a negligible computational cost.

Deconstructing Free Energies in the Law of Matching Water Affinities.

PubMed

Shi, Yu; Beck, Thomas

2017-03-09

The law of matching water affinities (LMWA) is explored in classical molecular dynamics simulations of several alkali halide ion pairs, spanning the size range from small kosmotropes to large chaotropes. The ion-ion potentials of mean force (PMFs) are computed using three methods: the local molecular field theory (LMFT), the weighted histogram analysis method (WHAM), and integration of the average force. All three methods produce the same total PMF for a given ion pair. In addition, LMFT-based partitioning into van der Waals and local and far-field electrostatic free energies and assessment of the enthalpic, entropic, and ion-water components yield insights into the origins of the observed free energy profiles in water. The results highlight the importance of local electrostatic interactions in determining the shape of the PMFs, while longer-ranged interactions enhance the overall ion-ion attraction, as expected in a dielectric continuum model. The association equilibrium constants are estimated from the smooth WHAM curves and compared to available experimental conductance data. By examining the variations in the average hydration numbers of ions with ion-ion distance, a correlation of the water structure in the hydration shells with the free energy features is found.

Fast shuttling of a particle under weak spring-constant noise of the moving trap

NASA Astrophysics Data System (ADS)

Lu, Xiao-Jing; Ruschhaupt, A.; Muga, J. G.

2018-05-01

We investigate the excitation of a quantum particle shuttled in a harmonic trap with weak spring-constant colored noise. The Ornstein-Uhlenbeck model for the noise correlation function describes a wide range of possible noises, in particular for short correlation times the white-noise limit examined by Lu et al. [Phys. Rev. A 89, 063414 (2014)], 10.1103/PhysRevA.89.063414 and, by averaging over correlation times, "1 /f flicker noise." We find expressions for the excitation energy in terms of static (independent of trap motion) and dynamical sensitivities, with opposite behavior with respect to shuttling time, and demonstrate that the excitation can be reduced by proper process timing and design of the trap trajectory.

Turbulence kinetic energy equation for dilute suspensions

NASA Technical Reports Server (NTRS)

Abou-Arab, T. W.; Roco, M. C.

1989-01-01

A multiphase turbulence closure model is presented which employs one transport equation, namely the turbulence kinetic energy equation. The proposed form of this equation is different from the earlier formulations in some aspects. The power spectrum of the carrier fluid is divided into two regions, which interact in different ways and at different rates with the suspended particles as a function of the particle-eddy size ratio and density ratio. The length scale is described algebraically. A mass/time averaging procedure for the momentum and kinetic energy equations is adopted. The resulting turbulence correlations are modeled under less retrictive assumptions comparative to previous work. The closures for the momentum and kinetic energy equations are given. Comparisons of the predictions with experimental results on liquid-solid jet and gas-solid pipe flow show satisfactory agreement.

Validation of a semi-quantitative food-frequency questionnaire used among 2-year-old Norwegian children.

PubMed

Andersen, L F; Lande, B; Trygg, K; Hay, G

2004-09-01

An adequate diet is of profound importance in infancy and early childhood. To ensure an optimal diet, knowledge about actual intake must be obtained. The aims of this study were to assess the validity of a semi-quantitative food-frequency questionnaire (SFFQ) applied in a large nation-wide survey among 2-year-old children and to examine the validity of the SFFQ in relation to different background parameters. The SFFQ was administered to the parents close to the child's second birthday, and one to two weeks later they started to weigh and record the child's diet for 7 days. One-hundred and eighty-seven families with a 2-year-old child completed both methods. There were no differences between the intakes of protein, saturated fatty acids, total carbohydrates and calcium estimated from the two methods. The average intake of all micronutrients, except for calcium, was overestimated by the SFFQ. Bland-Altman plots showed a systematic increase in difference between the two methods with increasing intake for most nutrients. Spearman correlation coefficients between methods for nutrient intakes ranged from 0.26 to 0.50, the median correlation was 0.38. The correlations increased when estimates were adjusted for energy intake, the median correlation being 0.52. Differences in observed validity were found according to the number of siblings. This study indicates that the SFFQ may be a valuable tool for measuring average intakes of energy, macronutrients and several food items among a 2-year-old population in Norway. The ability of the questionnaire to rank children according to intakes of nutrients and food items was rather low.

Perceived Stress and Coffee and Energy Drink Consumption Predict Poor Sleep Quality in Podiatric Medical Students A Cross-sectional Study.

PubMed

Sawah, Mohomad Al; Ruffin, Naeemah; Rimawi, Mohammad; Concerto, Carmen; Aguglia, Eugenio; Chusid, Eileen; Infortuna, Carmenrita; Battaglia, Fortunato

2015-09-01

A cross-sectional survey administered to first- and second-year podiatric medical students aimed to investigate the effect of coffee intake, energy drink consumption, and perceived stress on sleep quality in medical students during their preclinical studies. Ninety-eight of 183 students contacted (53.6%) completed a questionnaire comprising standard instruments measuring sleep quality (Pittsburgh Sleep Quality Index), daytime sleepiness (Epworth Sleepiness scale), and perceived stress (ten-item Perceived Stress Scale). Furthermore, we investigated coffee and energy drink consumption. Logistic regression was conducted to identify factors associated with poor sleep quality and the relation between sleep quality and academic performance (grade point average). High prevalences of poor sleep quality, excessive daytime sleepiness, and perceived stress were reported. In addition, higher odds of developing poor sleep quality were associated with coffee and energy drink intake, perceived stress, and excessive daytime sleepiness. The total Pittsburgh Sleep Quality Index score was inversely correlated with grade point average. First- and second-year podiatric medical students have poor sleep quality. Further research is needed to identify effective strategies to reduce stress and decrease coffee and energy drink intake to minimize their negative effect on sleep quality and academic performance in podiatric medical students.

Bose-Einstein correlations in p p ,   p Pb , and PbPb collisions at s N N = 0.9 – 7 TeV

DOE PAGES

Sirunyan, A. M.; Tumasyan, A.; Adam, W.; ...

2018-06-14

Here, quantum-statistical (Bose-Einstein) two-particle correlations are measured in pp collisions at √s = 0.9, 2.76, and 7 TeV, as well as in pPb and peripheral PbPb collisions at nucleon-nucleon center-of-mass energies of 5.02 and 2.76 TeV, respectively, using the CMS detector at the Large Hadron Collider. Separate analyses are performed for same-sign unidentified charged particles as well as for same-sign pions and kaons identified via their energy loss in the silicon tracker. The characteristics of the one-, two-, and three-dimensional correlation functions are studied as functions of the pair average transverse momentum (k T) and the charged-particle multiplicity in themore » event. For all systems, the extracted correlation radii steadily increase with the event multiplicity, and decrease with increasing k T. The radii are in the range 1–5 fm, the largest values corresponding to very high multiplicity pPb interactions and to peripheral PbPb collisions with multiplicities similar to those seen in pPb data. It is also observed that the dependencies of the radii on multiplicity and k T largely factorize. At the same multiplicity, the radii are relatively independent of the colliding system and center-of-mass energy.« less

Bose-Einstein correlations in $$pp, p\\mathrm{Pb}$$, and PbPb collisions at $$\\sqrt{{s}_{NN}}=0.9-7$$ TeV

DOE PAGES

Sirunyan, Albert M; et al.

2018-06-15

Quantum-statistical (Bose-Einstein) two-particle correlations are measured in pp collisions at s=0.9, 2.76, and 7 TeV, as well as in pPb and peripheral PbPb collisions at nucleon-nucleon center-of-mass energies of 5.02 and 2.76 TeV, respectively, using the CMS detector at the Large Hadron Collider. Separate analyses are performed for same-sign unidentified charged particles as well as for same-sign pions and kaons identified via their energy loss in the silicon tracker. The characteristics of the one-, two-, and three-dimensional correlation functions are studied as functions of the pair average transverse momentum (kT) and the charged-particle multiplicity in the event. For all systems, the extractedmore » correlation radii steadily increase with the event multiplicity, and decrease with increasing kT. The radii are in the range 1–5 fm, the largest values corresponding to very high multiplicity pPb interactions and to peripheral PbPb collisions with multiplicities similar to those seen in pPb data. It is also observed that the dependencies of the radii on multiplicity and kT largely factorize. At the same multiplicity, the radii are relatively independent of the colliding system and center-of-mass energy.« less

Bose-Einstein correlations in $$pp, p\\mathrm{Pb}$$, and PbPb collisions at $$\\sqrt{{s}_{NN}}=0.9-7$$ TeV

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

Sirunyan, Albert M; et al.

Quantum-statistical (Bose-Einstein) two-particle correlations are measured in pp collisions at s=0.9, 2.76, and 7 TeV, as well as in pPb and peripheral PbPb collisions at nucleon-nucleon center-of-mass energies of 5.02 and 2.76 TeV, respectively, using the CMS detector at the Large Hadron Collider. Separate analyses are performed for same-sign unidentified charged particles as well as for same-sign pions and kaons identified via their energy loss in the silicon tracker. The characteristics of the one-, two-, and three-dimensional correlation functions are studied as functions of the pair average transverse momentum (kT) and the charged-particle multiplicity in the event. For all systems, the extractedmore » correlation radii steadily increase with the event multiplicity, and decrease with increasing kT. The radii are in the range 1–5 fm, the largest values corresponding to very high multiplicity pPb interactions and to peripheral PbPb collisions with multiplicities similar to those seen in pPb data. It is also observed that the dependencies of the radii on multiplicity and kT largely factorize. At the same multiplicity, the radii are relatively independent of the colliding system and center-of-mass energy.« less

Bose-Einstein correlations in p p ,   p Pb , and PbPb collisions at s N N = 0.9 – 7 TeV

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

Sirunyan, A. M.; Tumasyan, A.; Adam, W.

Here, quantum-statistical (Bose-Einstein) two-particle correlations are measured in pp collisions at √s = 0.9, 2.76, and 7 TeV, as well as in pPb and peripheral PbPb collisions at nucleon-nucleon center-of-mass energies of 5.02 and 2.76 TeV, respectively, using the CMS detector at the Large Hadron Collider. Separate analyses are performed for same-sign unidentified charged particles as well as for same-sign pions and kaons identified via their energy loss in the silicon tracker. The characteristics of the one-, two-, and three-dimensional correlation functions are studied as functions of the pair average transverse momentum (k T) and the charged-particle multiplicity in themore » event. For all systems, the extracted correlation radii steadily increase with the event multiplicity, and decrease with increasing k T. The radii are in the range 1–5 fm, the largest values corresponding to very high multiplicity pPb interactions and to peripheral PbPb collisions with multiplicities similar to those seen in pPb data. It is also observed that the dependencies of the radii on multiplicity and k T largely factorize. At the same multiplicity, the radii are relatively independent of the colliding system and center-of-mass energy.« less

The lunar neutron energy spectrum inferred from the isotope compositions of rare-earth elements and hafnium in Apollo samples

NASA Astrophysics Data System (ADS)

Albalat, Emmanuelle; Blichert-Toft, Janne; Telouk, Philippe; Albarède, Francis

2015-11-01

The isotopic abundances of Sm, Gd, Dy, Er, Yb, and Hf have been measured in nine lunar samples by MC-ICP-MS. The data were corrected for both instrumental mass bias and natural isotope fractionation. We used the data to calculate the total flux and energy spectrum of the neutrons absorbed by the rocks. We write the constitutive equations of the isotopic changes for these elements induced by neutrons and solve the inverse problem by computing local energy averages. Resonant absorption peaks can be used as convenient kernels to define the spectrum of epithermal neutrons. We find that 149Sm and 157Gd anomalies correlate with neutron flux density for E < 0.015 eV (r2 > 0.98) and E ≈ 0.13 eV (r2 > 0.85), while no significant correlation exists between the ratio of these anomalies and the epithermal/thermal flux ratio at any value of energy. Neutron flux density variations can be used to trace the proportions of neutrons scattered out of the samples. The spectrum in the thermal region follows the expected E - 1 / 2 dependence but with 'notches' corresponding to neutron absorption. A major notch at the lowest end of the epithermal neutron spectrum (0.2-0.8 eV) is possibly due to absorption of neutrons by 151Eu, 167Er, and 149Sm. In general, we find a rather good correlation between the neutron flux density at specific energies and the exposure age, which suggests a mean residence time of the samples at the surface of the regolith of 2-300 Ma. Another correlation of epithermal neutrons with sample wt% FeO + TiO2 is consistent with orbital reflectance observations.

Influence of average ion energy and atomic oxygen flux per Si atom on the formation of silicon oxide permeation barrier coatings on PET

NASA Astrophysics Data System (ADS)

Mitschker, F.; Wißing, J.; Hoppe, Ch; de los Arcos, T.; Grundmeier, G.; Awakowicz, P.

2018-04-01

The respective effect of average incorporated ion energy and impinging atomic oxygen flux on the deposition of silicon oxide (SiO x ) barrier coatings for polymers is studied in a microwave driven low pressure discharge with additional variable RF bias. Under consideration of plasma parameters, bias voltage, film density, chemical composition and particle fluxes, both are determined relative to the effective flux of Si atoms contributing to film growth. Subsequently, a correlation with barrier performance and chemical structure is achieved by measuring the oxygen transmission rate (OTR) and by performing x-ray photoelectron spectroscopy. It is observed that an increase in incorporated energy to 160 eV per deposited Si atom result in an enhanced cross-linking of the SiO x network and, therefore, an improved barrier performance by almost two orders of magnitude. Furthermore, independently increasing the number of oxygen atoms to 10 500 per deposited Si atom also lead to a comparable barrier improvement by an enhanced cross-linking.

Configuration interaction singles natural orbitals: An orbital basis for an efficient and size intensive multireference description of electronic excited states

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

Shu, Yinan; Levine, Benjamin G., E-mail: levine@chemistry.msu.edu; Hohenstein, Edward G.

2015-01-14

Multireference quantum chemical methods, such as the complete active space self-consistent field (CASSCF) method, have long been the state of the art for computing regions of potential energy surfaces (PESs) where complex, multiconfigurational wavefunctions are required, such as near conical intersections. Herein, we present a computationally efficient alternative to the widely used CASSCF method based on a complete active space configuration interaction (CASCI) expansion built from the state-averaged natural orbitals of configuration interaction singles calculations (CISNOs). This CISNO-CASCI approach is shown to predict vertical excitation energies of molecules with closed-shell ground states similar to those predicted by state averaged (SA)-CASSCFmore » in many cases and to provide an excellent reference for a perturbative treatment of dynamic electron correlation. Absolute energies computed at the CISNO-CASCI level are found to be variationally superior, on average, to other CASCI methods. Unlike SA-CASSCF, CISNO-CASCI provides vertical excitation energies which are both size intensive and size consistent, thus suggesting that CISNO-CASCI would be preferable to SA-CASSCF for the study of systems with multiple excitable centers. The fact that SA-CASSCF and some other CASCI methods do not provide a size intensive/consistent description of excited states is attributed to changes in the orbitals that occur upon introduction of non-interacting subsystems. Finally, CISNO-CASCI is found to provide a suitable description of the PES surrounding a biradicaloid conical intersection in ethylene.« less

The air quality analysis of Dalian based on the data of AQI

NASA Astrophysics Data System (ADS)

Gu, Ji-lin; Liu, Miao

2018-02-01

The data of AQI from 10 countries accused of automatic air quality monitoring station of Dalian from June 2015 to December 2016 were analyzed to investigate the daily mean change of air quality index, the change of the hour and the correlation analysis between AQI and PM2.5, PM10, SO2, NO2, CO, O3 six parameters. The 856,800 index samples showed that the air quality index of autumn and winter was obviously higher than that of summer. The maximum AQI value in autumn and winter reached 389, with an average of 82. The maximum value of AQI in summer was 130, and the average was 50. From 2015 to 2016, the excellent air quality in the summer in Dalian was 60.3%; the standard rate was 98.4%. The autumn and winter air quality accounted for 39.1% and the compliance rate was 68.5%. The mean of the AQI average daily was a wavy trend, and the changes of summer and autumn and winter were roughly the same. The regularity of AQI 24-hour showed multi-peak changes, bimodal changes and single peak changes. The air quality in Dalian is affected by the weather conditions such as wind direction, rainfall and fog, the air quality in surrounding cities, urban pollution, vehicle exhaust and excessive consumption of coal energy. Through correlation calculation, AQI, PM2.5, and PM10 were significantly correlated irrespective of season. AQI and O3 were positively correlated in summer, but negatively correlated in autumn and winter, which is the basis for the treatment of air pollution in Dalian.

Statistical characteristics of cloud variability. Part 1: Retrieved cloud liquid water path at three ARM sites

NASA Astrophysics Data System (ADS)

Huang, Dong; Campos, Edwin; Liu, Yangang

2014-09-01

Statistical characteristics of cloud variability are examined for their dependence on averaging scales and best representation of probability density function with the decade-long retrieval products of cloud liquid water path (LWP) from the tropical western Pacific (TWP), Southern Great Plains (SGP), and North Slope of Alaska (NSA) sites of the Department of Energy's Atmospheric Radiation Measurement Program. The statistical moments of LWP show some seasonal variation at the SGP and NSA sites but not much at the TWP site. It is found that the standard deviation, relative dispersion (the ratio of the standard deviation to the mean), and skewness all quickly increase with the averaging window size when the window size is small and become more or less flat when the window size exceeds 12 h. On average, the cloud LWP at the TWP site has the largest values of standard deviation, relative dispersion, and skewness, whereas the NSA site exhibits the least. Correlation analysis shows that there is a positive correlation between the mean LWP and the standard deviation. The skewness is found to be closely related to the relative dispersion with a correlation coefficient of 0.6. The comparison further shows that the lognormal, Weibull, and gamma distributions reasonably explain the observed relationship between skewness and relative dispersion over a wide range of scales.

Influences of land cover types, meteorological conditions, anthropogenic heat and urban area on surface urban heat island in the Yangtze River Delta Urban Agglomeration.

PubMed

Du, Hongyu; Wang, Duoduo; Wang, Yuanyuan; Zhao, Xiaolei; Qin, Fei; Jiang, Hong; Cai, Yongli

2016-11-15

Urban heat islands (UHIs) reflect the localized impact of human activities on thermal fields. In this study, we assessed the surface UHI and its relationship with types of land, meteorological conditions, anthropogenic heat sources and urban areas in the Yangtze River Delta Urban Agglomeration (YRDUA) with the aid of remote sensing data, statistical data and meteorological data. The results showed that the UHI intensity in YRDUA was the strongest (0.84°C) in summer, followed by 0.81°C in autumn, 0.78°C in spring and 0.53°C in winter. The daytime UHI intensity is 0.98°C, which is higher than the nighttime UHI intensity of 0.50°C. Then, the relationship between the UHI intensity and several factors such as meteorological conditions, anthropogenic heat sources and the urban area were analysed. The results indicated that there was an insignificant correlation between population density and the UHI intensity. Energy consumption, average temperature and urban area had a significant positive correlation with UHI intensity. However, the average wind speed and average precipitation were significantly negatively correlated with UHI intensity. This study provides insight into the regional climate characteristics and a scientific basis for city layout. Copyright © 2016 Elsevier B.V. All rights reserved.

A Mobile Phone Based Method to Assess Energy and Food Intake in Young Children: A Validation Study against the Doubly Labelled Water Method and 24 h Dietary Recalls.

PubMed

Delisle Nyström, Christine; Forsum, Elisabet; Henriksson, Hanna; Trolle-Lagerros, Ylva; Larsson, Christel; Maddison, Ralph; Timpka, Toomas; Löf, Marie

2016-01-15

Mobile phones are becoming important instruments for assessing diet and energy intake. We developed the Tool for Energy Balance in Children (TECH), which uses a mobile phone to assess energy and food intake in pre-school children. The aims of this study were: (a) to compare energy intake (EI) using TECH with total energy expenditure (TEE) measured via doubly labelled water (DLW); and (b) to compare intakes of fruits, vegetables, fruit juice, sweetened beverages, candy, ice cream, and bakery products using TECH with intakes acquired by 24 h dietary recalls. Participants were 39 healthy, Swedish children (5.5 ± 0.5 years) within the ongoing Mobile-based Intervention Intended to Stop Obesity in Preschoolers (MINISTOP) obesity prevention trial. Energy and food intakes were assessed during four days using TECH and 24 h telephone dietary recalls. Mean EI (TECH) was not statistically different from TEE (DLW) (5820 ± 820 kJ/24 h and 6040 ± 680 kJ/24 h, respectively). No significant differences in the average food intakes using TECH and 24 h dietary recalls were found. All food intakes were correlated between TECH and the 24 h dietary recalls (ρ = 0.665-0.896, p < 0.001). In conclusion, TECH accurately estimated the average intakes of energy and selected foods and thus has the potential to be a useful tool for dietary studies in pre-school children, for example obesity prevention trials.

Streamwise evolution of statistical events and the triple correlation in a model wind turbine array

NASA Astrophysics Data System (ADS)

Viestenz, Kyle; Cal, Raúl Bayoán

2013-11-01

Hot-wire anemometry data, obtained from a wind tunnel experiment containing a 3 × 3 wind turbine array, are used to conditionally average the Reynolds stresses. Nine profiles at the centerline behind the array are analyzed to characterize the turbulent velocity statistics of the wake flow. Quadrant analysis yields statistical events occurring in the wake of the wind farm, where quadrants 2 and 4 produce ejections and sweeps, respectively. A balance between these quadrants is expressed via the ΔSo parameter, which attains a maximum value at the bottom tip and changes sign near the top tip of the rotor. These are then associated to the triple correlation term present in the turbulent kinetic energy equation of the fluctuations. The development of these various quantities is assessed in light of wake remediation, energy transport and possess significance in closure models. National Science Foundation: ECCS-1032647.

Analysis of satellite data on energetic particles of ionospheric origin

NASA Technical Reports Server (NTRS)

Sharp, R. D.; Johnson, R. G.; Shelley, E. G.

1975-01-01

The morphology was studied of precipitating O(+) and H(+) ions in the energy range 0.7 equal to or less than E equal to or less than 12 keV during the storm-time period from December 16-18, 1971, which encompassed two principal magnetic storms. The results are described with emphasis on the temporal variations of parameters characterizing the intensity, average energy, and spatial location of the zones of precipitation of the two ionic species. One of the principal results was the finding that the intensity of the precipitating O(+) ions was well correlated with the geomagnetic indices which measure the strength of magnetospheric substorm activity and the strength of the storm-time ring current. Since the O(+) ions are almost certainly of ionospheric origin the correlations indicate that a previously unknown strong coupling mechanism existed between the magnetosphere and the ionosphere during the storm period.

Prediction of kinase-inhibitor binding affinity using energetic parameters

PubMed Central

Usha, Singaravelu; Selvaraj, Samuel

2016-01-01

The combination of physicochemical properties and energetic parameters derived from protein-ligand complexes play a vital role in determining the biological activity of a molecule. In the present work, protein-ligand interaction energy along with logP values was used to predict the experimental log (IC50) values of 25 different kinase-inhibitors using multiple regressions which gave a correlation coefficient of 0.93. The regression equation obtained was tested on 93 kinase-inhibitor complexes and an average deviation of 0.92 from the experimental log IC50 values was shown. The same set of descriptors was used to predict binding affinities for a test set of five individual kinase families, with correlation values > 0.9. We show that the protein-ligand interaction energies and partition coefficient values form the major deterministic factors for binding affinity of the ligand for its receptor. PMID:28149052

Cold collisions of SH- with He: Potential energy surface and rate coefficients

NASA Astrophysics Data System (ADS)

Bop, C. T.; Trabelsi, T.; Hammami, K.; Mogren Al Mogren, M.; Lique, F.; Hochlaf, M.

2017-09-01

Collisional energy transfer under cold conditions is of great importance from the fundamental and applicative point of view. Here, we investigate low temperature collisions of the SH- anion with He. We have generated a three-dimensional potential energy surface (PES) for the SH-(X1Σ+)-He(1S) van der Waals complex. The ab initio multi-dimensional interaction PES was computed using the explicitly correlated coupled cluster approach with simple, double, and perturbative triple excitation in conjunction with the augmented-correlation consistent-polarized valence triple zeta Gaussian basis set. The PES presents two minima located at linear geometries. Then, the PES was averaged over the ground vibrational wave function of the SH- molecule and the resulting two-dimensional PES was incorporated into exact quantum mechanical close coupling calculations to study the collisional excitation of SH- by He. We have computed inelastic cross sections among the 11 first rotational levels of SH- for energies up to 2500 cm-1. (De-)excitation rate coefficients were deduced for temperatures ranging from 1 to 300 K by thermally averaging the cross sections. We also performed calculations using the new PES for a fixed internuclear SH- distance. Both sets of results were found to be in reasonable agreement despite differences existing at low temperatures confirming that accurate predictions require the consideration of all internal degrees of freedom in the case of molecular hydrides. The rate coefficients presented here may be useful in interpreting future experimental work on the SH- negative ion colliding with He as those recently done for the OH--He collisional system as well as for possible astrophysical applications in case SH- would be detected in the interstellar medium.

Fission-fragment total kinetic energy and mass yields for neutron-induced fission of 235U and 238U with En =200 keV - 30 MeV

NASA Astrophysics Data System (ADS)

Duke, D. L.; Tovesson, F.; Brys, T.; Geppert-Kleinrath, V.; Hambsch, F.-J.; Laptev, A.; Meharchand, R.; Manning, B.; Mayorov, D.; Meierbachtol, K.; Mosby, S.; Perdue, B.; Richman, D.; Shields, D.; Vidali, M.

2017-09-01

The average Total Kinetic Energy (TKE) release and fission-fragment yields in neutron-induced fission of 235U and 238U was measured using a Frisch-gridded ionization chamber. These observables are important nuclear data quantites that are relevant to applications and for informing the next generation of fission models. The measurements were performed a the Los Alamos Neutron Science Center and cover En = 200 keV - 30 MeV. The double-energy (2E) method was used to determine the fission-fragment yields and two methods of correcting for prompt-neutron emission were explored. The results of this study are correlated mass and TKE data.

Empirical multi-wavelength prediction method for very high energy gamma-ray emitting BL Lacertae objects

NASA Astrophysics Data System (ADS)

Fallah Ramazani, V.; Lindfors, E.; Nilsson, K.

2017-12-01

Aim: We have collected the most complete multi-wavelength (6.0-6.0 × 10-18 cm) dataset of very high energy (VHE) γ-ray emitting (TeV) BL Lacs, which are the most numerous extragalactic VHE sources. Using significant correlations between different bands, we aim to identify the best TeV BL Lac candidates that can be discovered by the current and next generation of imaging air Cherenkov telescopes. Methods: We formed five datasets from lower energy data, i.e. radio, mid-infrared, optical, X-rays, and GeV γ-ray, and five VHE γ-ray datasets to perform a correlation study between different bands and to construct the prediction method. The low energy datasets were averaged for individual sources, while the VHE γ-ray data were divided into subsets according to the flux state of the source. We then looked for significant correlations and determined their best-fit parameters. Using the best-fit parameters we predicted the level of VHE γ-ray flux for a sample of 182 BL Lacs, which have not been detected at TeV energies. We identified the most promising TeV BL Lac candidates based on the predicted VHE γ-ray flux for each source. Results: We found 14 significant correlations between radio, mid-infrared, optical, γ-ray, and VHE γ-ray bands. The correlation between optical and VHE γ-ray luminosity is established for the first time. We attribute this to the more complete sample and more accurate handling of host galaxy flux in our work. We found nine BL Lac candidates whose predicted VHE γ-ray flux is high enough for detection in less than 25 h with current imaging air Cherenkov telescopes. Full Tables A.1 and A.2 are only available at the CDS via anonymous ftp to http://cdsarc.u-strasbg.fr (http://130.79.128.5) or via http://cdsarc.u-strasbg.fr/viz-bin/qcat?J/A+A/608/A68

Exploring energy loss by vector flow mapping in children with ventricular septal defect: Pathophysiologic significance.

PubMed

Honda, Takashi; Itatani, Keiichi; Takanashi, Manabu; Kitagawa, Atsushi; Ando, Hisashi; Kimura, Sumito; Oka, Norihiko; Miyaji, Kagami; Ishii, Masahiro

2017-10-01

Vector flow mapping is a novel echocardiographic flow visualization method, and it has enabled us to quantitatively evaluate the energy loss in the left ventricle (intraventricular energy loss). Although intraventricular energy loss is assumed to be a part of left ventricular workload itself, it is unclear what this parameter actually represents. The aim of the present study was to elucidate the characteristics of intraventricular energy loss. We enrolled 26 consecutive children with ventricular septal defect (VSD). On echocardiography vector flow mapping, intraventricular energy loss was measured in the apical 3-chamber view. We measured peak energy loss and averaged energy loss in the diastolic and systolic phases, and subsequently compared these parameters with catheterization parameters and serum brain natrium peptide (BNP) level. Diastolic, peak, and systolic energy loss were strongly and positively correlated with right ventricular systolic pressure (r=0.76, 0.68, and 0.56, p<0.0001, = 0.0001, and 0.0029, respectively) and right ventricular end diastolic pressure (r=0.55, 0.49, and 0.49, p=0.0038, 0.0120, and 0.0111, respectively). In addition, diastolic, peak, and systolic energy loss were significantly correlated with BNP (r=0.75, 0.69 and 0.49, p<0.0001, < 0.0001, and=0.0116, respectively). In children with VSD, elevated right ventricular pressure is one of the factors that increase energy loss in the left ventricle. The results of the present study encourage further studies in other study populations to elucidate the characteristics of intraventricular energy loss for its possible clinical application. Copyright © 2017 Elsevier B.V. All rights reserved.

The energy separation between the classical and nonclassical isomers of protonated acetylene - An extensive study in one- and n-particle space saturation

NASA Technical Reports Server (NTRS)

Lindh, Roland; Rice, Julia E.; Lee, Timothy J.

1991-01-01

The energy separation between the classical and nonclassical forms of protonated acetylene has been reinvestigated in light of the recent experimentally deduced lower bound to this value of 6.0 kcal/mol. The objective of the present study is to use state-of-the-art ab initio quantum mechanical methods to establish this energy difference to within chemical accuracy (i.e., about 1 kcal/mol). The one-particle basis sets include up to g-type functions and the electron correlation methods include single and double excitation coupled-cluster (CCSD), the CCSD(T) extension, multireference configuration interaction, and the averaged coupled-pair functional methods. A correction for zero-point vibrational energies has also been included, yielding a best estimate for the energy difference between the classical and nonclassical forms of 3.7 + or - 1.3 kcal/mol.

Diffusion of a particle in the spatially correlated exponential random energy landscape: Transition from normal to anomalous diffusion.

PubMed

Novikov, S V

2018-01-14

Diffusive transport of a particle in a spatially correlated random energy landscape having exponential density of states has been considered. We exactly calculate the diffusivity in the nondispersive quasi-equilibrium transport regime for the 1D transport model and found that for slow decaying correlation functions the diffusivity becomes singular at some particular temperature higher than the temperature of the transition to the true non-equilibrium dispersive transport regime. It means that the diffusion becomes anomalous and does not follow the usual ∝ t 1/2 law. In such situation, the fully developed non-equilibrium regime emerges in two stages: first, at some temperature there is the transition from the normal to anomalous diffusion, and then at lower temperature the average velocity for the infinite medium goes to zero, thus indicating the development of the true dispersive regime. Validity of the Einstein relation is discussed for the situation where the diffusivity does exist. We provide also some arguments in favor of conservation of the major features of the new transition scenario in higher dimensions.

Adiabatic-connection fluctuation-dissipation DFT for the structural properties of solids—The renormalized ALDA and electron gas kernels

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

Patrick, Christopher E., E-mail: chripa@fysik.dtu.dk; Thygesen, Kristian S., E-mail: thygesen@fysik.dtu.dk

2015-09-14

We present calculations of the correlation energies of crystalline solids and isolated systems within the adiabatic-connection fluctuation-dissipation formulation of density-functional theory. We perform a quantitative comparison of a set of model exchange-correlation kernels originally derived for the homogeneous electron gas (HEG), including the recently introduced renormalized adiabatic local-density approximation (rALDA) and also kernels which (a) satisfy known exact limits of the HEG, (b) carry a frequency dependence, or (c) display a 1/k{sup 2} divergence for small wavevectors. After generalizing the kernels to inhomogeneous systems through a reciprocal-space averaging procedure, we calculate the lattice constants and bulk moduli of a testmore » set of 10 solids consisting of tetrahedrally bonded semiconductors (C, Si, SiC), ionic compounds (MgO, LiCl, LiF), and metals (Al, Na, Cu, Pd). We also consider the atomization energy of the H{sub 2} molecule. We compare the results calculated with different kernels to those obtained from the random-phase approximation (RPA) and to experimental measurements. We demonstrate that the model kernels correct the RPA’s tendency to overestimate the magnitude of the correlation energy whilst maintaining a high-accuracy description of structural properties.« less

A Divergence Median-based Geometric Detector with A Weighted Averaging Filter

NASA Astrophysics Data System (ADS)

Hua, Xiaoqiang; Cheng, Yongqiang; Li, Yubo; Wang, Hongqiang; Qin, Yuliang

2018-01-01

To overcome the performance degradation of the classical fast Fourier transform (FFT)-based constant false alarm rate detector with the limited sample data, a divergence median-based geometric detector on the Riemannian manifold of Heimitian positive definite matrices is proposed in this paper. In particular, an autocorrelation matrix is used to model the correlation of sample data. This method of the modeling can avoid the poor Doppler resolution as well as the energy spread of the Doppler filter banks result from the FFT. Moreover, a weighted averaging filter, conceived from the philosophy of the bilateral filtering in image denoising, is proposed and combined within the geometric detection framework. As the weighted averaging filter acts as the clutter suppression, the performance of the geometric detector is improved. Numerical experiments are given to validate the effectiveness of our proposed method.

Jellyfish support high energy intake of leatherback sea turtles (Dermochelys coriacea): video evidence from animal-borne cameras.

PubMed

Heaslip, Susan G; Iverson, Sara J; Bowen, W Don; James, Michael C

2012-01-01

The endangered leatherback turtle is a large, highly migratory marine predator that inexplicably relies upon a diet of low-energy gelatinous zooplankton. The location of these prey may be predictable at large oceanographic scales, given that leatherback turtles perform long distance migrations (1000s of km) from nesting beaches to high latitude foraging grounds. However, little is known about the profitability of this migration and foraging strategy. We used GPS location data and video from animal-borne cameras to examine how prey characteristics (i.e., prey size, prey type, prey encounter rate) correlate with the daytime foraging behavior of leatherbacks (n = 19) in shelf waters off Cape Breton Island, NS, Canada, during August and September. Video was recorded continuously, averaged 1:53 h per turtle (range 0:08-3:38 h), and documented a total of 601 prey captures. Lion's mane jellyfish (Cyanea capillata) was the dominant prey (83-100%), but moon jellyfish (Aurelia aurita) were also consumed. Turtles approached and attacked most jellyfish within the camera's field of view and appeared to consume prey completely. There was no significant relationship between encounter rate and dive duration (p = 0.74, linear mixed-effects models). Handling time increased with prey size regardless of prey species (p = 0.0001). Estimates of energy intake averaged 66,018 kJ • d(-1) but were as high as 167,797 kJ • d(-1) corresponding to turtles consuming an average of 330 kg wet mass • d(-1) (up to 840 kg • d(-1)) or approximately 261 (up to 664) jellyfish • d(-1). Assuming our turtles averaged 455 kg body mass, they consumed an average of 73% of their body mass • d(-1) equating to an average energy intake of 3-7 times their daily metabolic requirements, depending on estimates used. This study provides evidence that feeding tactics used by leatherbacks in Atlantic Canadian waters are highly profitable and our results are consistent with estimates of mass gain prior to southward migration.

Jellyfish Support High Energy Intake of Leatherback Sea Turtles (Dermochelys coriacea): Video Evidence from Animal-Borne Cameras

PubMed Central

Heaslip, Susan G.; Iverson, Sara J.; Bowen, W. Don; James, Michael C.

2012-01-01

The endangered leatherback turtle is a large, highly migratory marine predator that inexplicably relies upon a diet of low-energy gelatinous zooplankton. The location of these prey may be predictable at large oceanographic scales, given that leatherback turtles perform long distance migrations (1000s of km) from nesting beaches to high latitude foraging grounds. However, little is known about the profitability of this migration and foraging strategy. We used GPS location data and video from animal-borne cameras to examine how prey characteristics (i.e., prey size, prey type, prey encounter rate) correlate with the daytime foraging behavior of leatherbacks (n = 19) in shelf waters off Cape Breton Island, NS, Canada, during August and September. Video was recorded continuously, averaged 1:53 h per turtle (range 0:08–3:38 h), and documented a total of 601 prey captures. Lion's mane jellyfish (Cyanea capillata) was the dominant prey (83–100%), but moon jellyfish (Aurelia aurita) were also consumed. Turtles approached and attacked most jellyfish within the camera's field of view and appeared to consume prey completely. There was no significant relationship between encounter rate and dive duration (p = 0.74, linear mixed-effects models). Handling time increased with prey size regardless of prey species (p = 0.0001). Estimates of energy intake averaged 66,018 kJ•d−1 but were as high as 167,797 kJ•d−1 corresponding to turtles consuming an average of 330 kg wet mass•d−1 (up to 840 kg•d−1) or approximately 261 (up to 664) jellyfish•d-1. Assuming our turtles averaged 455 kg body mass, they consumed an average of 73% of their body mass•d−1 equating to an average energy intake of 3–7 times their daily metabolic requirements, depending on estimates used. This study provides evidence that feeding tactics used by leatherbacks in Atlantic Canadian waters are highly profitable and our results are consistent with estimates of mass gain prior to southward migration. PMID:22438906

Covariances for the 56Fe radiation damage cross sections

NASA Astrophysics Data System (ADS)

Simakov, Stanislav P.; Koning, Arjan; Konobeyev, Alexander Yu.

2017-09-01

The energy-energy and reaction-reaction covariance matrices were calculated for the n + 56Fe damage cross-sections by Total Monte Carlo method using the TENDL-2013 random files. They were represented in the ENDF-6 format and added to the unperturbed evaluation file. The uncertainties for the spectrum averaged radiation quantities in the representative fission, fusion and spallation facilities were first time assessed as 5-25%. Additional 5 to 20% have to be added to the atom displacement rate uncertainties to account for accuracy of the primary defects simulation in materials. The reaction-reaction correlation were shown to be 1% or less.

Fully Resolved Simulations of Particle-Bed-Turbulence Interactions in Oscillatory Flows

NASA Astrophysics Data System (ADS)

Apte, S.; Ghodke, C.

2017-12-01

Particle-resolved direct numerical simulations (DNS) are performed to investigate the behavior of an oscillatory flow field over a bed of closely packed fixed spherical particles for a range of Reynolds numbers in transitional and rough turbulent flow regime. Presence of roughness leads to a substantial modification of the underlying boundary layer mechanism resulting in increased bed shear stress, reduction in the near-bed anisotropy, modification of the near-bed sweep and ejection motions along with marked changes in turbulent energy transport mechanisms. Characterization of such resulting flow field is performed by studying statistical descriptions of the near-bed turbulence for different roughness parameters. A double-averaging technique is employed to reveal spatial inhomogeneities at the roughness scale that provide alternate paths of energy transport in the turbulent kinetic energy (TKE) budget. Spatio-temporal characteristics of unsteady particle forces by studying their spatial distribution, temporal auto-correlations, frequency spectra, cross-correlations with near-bed turbulent flow variables and intermittency intermittency in the forces using the concept of impulse are investigated in detail. These first principle simulations provide substantial insights into the modeling of incipient motion of sediments.

Analysis of blinkers and EUV brightenings in the quiet Sun observed with CDS

NASA Astrophysics Data System (ADS)

Brković, A.; Solanki, S. K.; Rüedi, I.

2001-07-01

Movies of quiet Sun regions at disc centre obtained with the Coronal Diagnostic Spectrometer (CDS) onboard the SOHO spacecraft are used to study the properties of transient brightenings seen in the extreme ultraviolet (EUV), so-called blinkers, at three different temperatures sampled simultaneously in the chromospheric He I 584.3 Å (2 x 104 K), the transition region O V 629.7 Å (2.5 x 105 K) and coronal Mg IX 368.1 Å (106 K) lines. Blinkers, here defined somewhat differently than in previous studies, were clearly detected in the O V and He I lines. Brightenings of the Mg IX line were also seen. A thorough analysis of blinker properties is carried out and their detailed properties are determined. Blinkers are found to be present in both bright (network) and dark (intranetwork) regions, but their number density is larger in the brighter areas (in O V) although the rest of their properties appear to be unaffected. The average sizes of brightenings range from 2.8 Mm2 in Mg IX, 12.4 Mm2 in He I to 23.5 Mm2 in O V. The durations of blinkers are in the range 3-110 min, with the average durations being 23 min in He I, about 16 min in O V and 12 min in Mg IX. The frequency distributions of ratio of peak to background intensity, excess energy and size follow power laws with exponents <-5 for the intensity ratio, and between -1 and -3 for the other two parameters. The correlation coefficients between pairs of ratio, energy and size are at least 0.5, while other pairs of parameters describing the blinkers appear to be uncorrelated. The best correlation is between size and energy. The blinker durations exhibit a distribution whose form is compatible with a log-normal function. Finally, blinkers in the 3 lines (i.e. 3 temperature regimes) are poorly correlated; with the correlation coefficient being always less than 0.4. This suggests that to a large extent the transition region reacts independently of the corona and chromosphere to energy deposition, so that these parts of the atmosphere are at least partly decoupled from each other. This agrees with the expectations from models having separate transition-region loops, but contradicts the classical picture of the transition region, as being heated dominantly by energy conduction from the corona.

Energy density of ionospheric and solar wind origin ions in the near-Earth magnetotail during substorms

NASA Technical Reports Server (NTRS)

Daglis, Loannis A.; Livi, Stefano; Sarris, Emmanuel T.; Wilken, Berend

1994-01-01

Comprehensive energy density studies provide an important measure of the participation of various sources in energization processes and have been relatively rare in the literature. We present a statistical study of the energy density of the near-Earth magnetotail major ions (H(+), O(+), He(++), He(+)) during substorm expansion phase and discuss its implications for the solar wind/magnetosphere/ionosphere coupling. Our aim is to examine the relation between auroral activity and the particle energization during substorms through the correlation between the AE indices and the energy density of the major magnetospheric ions. The data we used here were collected by the charge-energy-mass (CHEM) spectrometer on board the Active Magnetospheric Particle Trace Explorer (AMPTE)/Charge Composition Explorer (CCE) satellite in the near-equatorial nightside magnetosphere, at geocentric distances approximately 7 to 9 R(sub E). CHEM provided the opportunity to conduct the first statistical study of energy density in the near-Earth magnetotail with multispecies particle data extending into the higher energy range (greater than or equal to 20 keV/E). the use of 1-min AE indices in this study should be emphasized, as the use (in previous statistical studies) of the (3-hour) Kp index or of long-time averages of AE indices essentially smoothed out all the information on substorms. Most distinct feature of our study is the excellent correlation of O(+) energy density with the AE index, in contrast with the remarkably poor He(++) energy density - AE index correlation. Furthermore, we examined the relation of the ion energy density to the electrojet activity during substorm growth phase. The O(+) energy density is strongly correlated with the pre-onset AU index, that is the eastward electrojet intensity, which represents the growth phase current system. Our investigation shows that the near-Earth magnetotail is increasingly fed with energetic ionospheric ions during periods of enhanced dissipation of auroral currents. The participation of the ionosphere in the substorm energization processes seems to be closely, although not solely, associated with the solar wind/magnetosphere coupling. That is, the ionosphere influences actively the substorm energization processes by responding to the increased solar wind/magnetosphere coupling as well as to the unloading dissipation of stored energy, with the increased feeding of new material into the magnetosphere.

Observation of Markarian 421 in TeV Gamma Rays Over a 14-Year Time Span

NASA Technical Reports Server (NTRS)

Acciari, V. A.; Arlen, T.; Aune, T.; Benbow, W.; Bird, R.; Bouvier, A.; Bradbury, S. M.; Buckley, J. H.; Bugaev, V.; McEnery, Julie E.

2013-01-01

The variability of the blazar Markarian 421 in TeV gamma rays over a 14-year time period has been explored with theWhipple 10 m telescope. It is shown that the dynamic range of its flux variations is large and similar to that in X-rays. A correlation between the X-ray and TeV energy bands is observed during some bright flares and when the complete data sets are binned on long timescales. The main database consists of 878.4 hours of observation with theWhipple telescope, spread over 783 nights. The peak energy response of the telescope was 400 GeV with 20% uncertainty. This is the largest database of any TeV-emitting active galactic nucleus (AGN) and hence was used to explore the variability profile of Markarian 421. The time-averaged flux from Markarian 421 over this period was 0.446+/-0.008 Crab flux units. The flux exceeded 10 Crab flux units on three separate occasions. For the 2000-2001 season the average flux reached 1.86 Crab units, while in the 1996-1997 season the average flux was only 0.23 Crab units.

Cortical processing of dynamic sound envelope transitions.

PubMed

Zhou, Yi; Wang, Xiaoqin

2010-12-08

Slow envelope fluctuations in the range of 2-20 Hz provide important segmental cues for processing communication sounds. For a successful segmentation, a neural processor must capture envelope features associated with the rise and fall of signal energy, a process that is often challenged by the interference of background noise. This study investigated the neural representations of slowly varying envelopes in quiet and in background noise in the primary auditory cortex (A1) of awake marmoset monkeys. We characterized envelope features based on the local average and rate of change of sound level in envelope waveforms and identified envelope features to which neurons were selective by reverse correlation. Our results showed that envelope feature selectivity of A1 neurons was correlated with the degree of nonmonotonicity in their static rate-level functions. Nonmonotonic neurons exhibited greater feature selectivity than monotonic neurons in quiet and in background noise. The diverse envelope feature selectivity decreased spike-timing correlation among A1 neurons in response to the same envelope waveforms. As a result, the variability, but not the average, of the ensemble responses of A1 neurons represented more faithfully the dynamic transitions in low-frequency sound envelopes both in quiet and in background noise.

Temporal studies of black hole X-ray transients during outburst decay

NASA Astrophysics Data System (ADS)

Kalemci, Emrah

Galactic black holes (GBH) are a class of astrophysical sources with X-ray emission that is powered by accretion from a companion star. An important goal of GBH research is to understand the accretion structure and the nature of the variability of these systems. The GBHs sometimes show significant changes in the X-ray emission properties, and these changes are called state transitions. The transitions are believed to be caused by variation of the mass accretion rate and changes in accretion geometry. Thus, their study provides valuable information on the nature of the accretion structure. In this thesis work, I present results from studying the spectral and temporal evolution of all GBH transients that have been observed with NASA's Rossi X-ray Timing Explorer during outburst decay. I explore the physical conditions before, during and after the state transition, characterize the quasi-periodic oscillations (QPO) and continuum of power spectral density (PSD) in different energy bands, and study the correlations between spectral and temporal fit parameters. I also analyze the evolution of the cross- spectral parameters during and after the transition. I show that the appearance of the broad band variability is coincident with an increase of power-law flux. The evolution of the characteristic frequencies and the spectral parameters after the transition are consistent with retreating of the inner accretion disk. The energy dependent PSD analysis shows that the level of variability increases with energy when there is significant soft flux from the optically thick accretion disk. The variability level also increases with energy if the absorption column density to the source is high. This may be a result of small angle scatterings of lower energy X-ray photons with the ISM dust around these sources. I find global correlations between the spectral index and three temporal fit parameters: the QPO frequency, the overall level of variability and the integrated time lag. The relation between the spectral index and the time lags are interpreted within the context of the average number of Compton scatterings and the temperature of the scattering medium. During the transitions, the average lag is higher and average coherence is lower. I discuss whether a hybrid accretion model, for which the hot electron corona is the base of an optically thin outflow or a jet, can explain the physical properties during the transition.

Do Practical Standard Coupled Cluster Calculations Agree Better than Kohn–Sham Calculations with Currently Available Functionals When Compared to the Best Available Experimental Data for Dissociation Energies of Bonds to 3d Transition Metals?

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

Xu, Xuefei; Zhang, Wenjing; Tang, Mingsheng

2015-05-12

Coupled-cluster (CC) methods have been extensively used as the high-level approach in quantum electronic structure theory to predict various properties of molecules when experimental results are unavailable. It is often assumed that CC methods, if they include at least up to connected-triple-excitation quasiperturbative corrections to a full treatment of single and double excitations (in particular, CCSD(T)), and a very large basis set, are more accurate than Kohn–Sham (KS) density functional theory (DFT). In the present work, we tested and compared the performance of standard CC and KS methods on bond energy calculations of 20 3d transition metal-containing diatomic molecules againstmore » the most reliable experimental data available, as collected in a database called 3dMLBE20. It is found that, although the CCSD(T) and higher levels CC methods have mean unsigned deviations from experiment that are smaller than most exchange-correlation functionals for metal–ligand bond energies of transition metals, the improvement is less than one standard deviation of the mean unsigned deviation. Furthermore, on average, almost half of the 42 exchange-correlation functionals that we tested are closer to experiment than CCSD(T) with the same extended basis set for the same molecule. The results show that, when both relativistic and core–valence correlation effects are considered, even the very high-level (expensive) CC method with single, double, triple, and perturbative quadruple cluster operators, namely, CCSDT(2)Q, averaged over 20 bond energies, gives a mean unsigned deviation (MUD(20) = 4.7 kcal/mol when one correlates only valence, 3p, and 3s electrons of transition metals and only valence electrons of ligands, or 4.6 kcal/mol when one correlates all core electrons except for 1s shells of transition metals, S, and Cl); and that is similar to some good xc functionals (e.g., B97-1 (MUD(20) = 4.5 kcal/mol) and PW6B95 (MUD(20) = 4.9 kcal/mol)) when the same basis set is used. We found that, for both coupled cluster calculations and KS calculations, the T1 diagnostics correlate the errors better than either the M diagnostics or the B1 DFT-based diagnostics. The potential use of practical standard CC methods as a benchmark theory is further confounded by the finding that CC and DFT methods usually have different signs of the error. We conclude that the available experimental data do not provide a justification for using conventional single-reference CC theory calculations to validate or test xc functionals for systems involving 3d transition metals.« less

Forest Surface Energy Balance and Evapotranspiration Estimated From Four Eddy Covariance Towers

NASA Astrophysics Data System (ADS)

Rabbani, G. A.; Adam, J. C.; Elliot, W. J.; Liu, H.

2016-12-01

Evapotranspiration (ET), which refers to the combined effect of surface water evaporation and plant transpiration, is one of the vital elements of the global water balance. It is also an important process for plants, providing water, nutrient, and cooling needs, and helping to regulate carbon dioxide entry through open/closure of the plant's stomata. Quantifying ET in forested environments is an ongoing research area. Complex physiological responses with climatic variation, combined with difficulty in making wide-spread measurements, makes ET one of the least understood components of a forest water balance. The objective of this study is to estimate ET and energy balance closure by using flux net data from eddy covariance towers. ET is estimated for different forest types with multiple age classes during the years of 2011, 2012 and 2013. We studied two coniferous forests (F1, F2), one deciduous forest (F3) and one mixed forest (F4) in Washington, Wyoming, Wisconsin and New Jersey, respectively. Label 2 (Data checked and formatted by Carbon Dioxide Information Analysis Center) gap filled flux data were collected from the AmeriFlux database (ameriflux.ornl.gov). Discrepancies between turbulent fluxes and available energy are investigated. Among the studied forests, the highest and lowest average monthly ET are exhibited by the mixed forest (F4) and coniferous forest (F1) in 2012 which are 2,692 and 633 mm/month, respectively. Difference in average monthly ET can be an implication of substantial age difference between these two types of forest. The regression analysis showed significant correlation between turbulent fluxes and available energy (R2=0.91) for mixed forest where the discrepancy varied from 5-11%. Conversely, for coniferous and deciduous forests, the discrepancy varied from 46-49% and 28%, respectively, with almost similar correlation between the fluxes (0.86 and 0.84, respectively). This study will facilitate an improved understanding of how forest type and age pose differences in ET and surface energy components.

Performance of the quantitative food frequency questionnaire used in the Brazilian center of the prospective study Natural History of Human Papillomavirus Infection in Men: The HIM Study.

PubMed

Teixeira, Juliana Araujo; Baggio, Maria Luiza; Giuliano, Anna R; Fisberg, Regina Mara; Marchioni, Dirce Maria Lobo

2011-07-01

The Natural History of Human Papillomavirus (HPV) Infection in Men: The HIM Study is a prospective multicenter cohort study that, among other factors, analyzes participants' diet. A parallel cross-sectional study was designed to evaluate the validity and reproducibility of the quantitative food frequency questionnaire (QFFQ) used in the Brazilian center from the HIM Study. For this, a convenience subsample of 98 men aged 18 to 70 years from the HIM Study in Brazil answered three 54-item QFFQ and three 24-hour recall interviews, with 6-month intervals between them (data collection January to September 2007). A Bland-Altman analysis indicated that the difference between instruments was dependent on the magnitude of the intake for energy and most nutrients included in the validity analysis, with the exception of carbohydrates, fiber, polyunsaturated fat, vitamin C, and vitamin E. The correlation between the QFFQ and the 24-hour recall for the deattenuated and energy-adjusted data ranged from 0.05 (total fat) to 0.57 (calcium). For the energy and nutrients consumption included in the validity analysis, 33.5% of participants on average were correctly classified into quartiles, and the average value of 0.26 for weighted kappa shows a reasonable agreement. The intraclass correlation coefficients for all nutrients were greater than 0.40 in the reproducibility analysis. The QFFQ demonstrated good reproducibility and acceptable validity. The results support the use of this instrument in the HIM Study. Copyright © 2011 American Dietetic Association. Published by Elsevier Inc. All rights reserved.

The role of the attractive and the repulsive interactions in the nonpolar solvation dynamics in simple fluids from the gas-like to the liquid-like densities

NASA Astrophysics Data System (ADS)

Yamaguchi, T.; Kimura, Y.; Hirota, N.

1999-09-01

We have performed molecular dynamics (MD) simulations of the nonpolar solvation dynamics in simple fluids composed of particles interacting through the Lennard-Jones (LJ) 12-6 potential or its repulsive part. The attractive or the repulsive part of the solute-solvent interaction is assumed to change on the excitation of a solute. We have followed the transition energy fluctuation of the solute by the equilibrium simulation. The division of the LJ potential followed the method of WCA [J. W. Weeks, D. Chandler, and H. C. Andersen, J. Chem. Phys. 54, 5237 (1971)]. We have surveyed over a wide solvent density region from gas-like to liquid-like densities at the constant temperature. When the attractive part changes, the relaxation becomes faster with an increase of the solvent density. This result contradicts with previous theories that treat the nonpolar solvation dynamics in terms of the diffusion of solvent particles. The time scale of the initial part of the relaxation is well correlated with the static fluctuation divided by the static average, which suggests the importance of the curvature of the free energy surface in the initial part of the solvation. When the repulsive part changes, the initial part of the relaxation is almost density independent, determined by the binary motion between solute and solvent. It is consistent with the result that the static fluctuation is almost proportional to the static average, which indicates the absence of the static correlation between solvent particles. On the other hand, the solvation correlation function shows rather complicated density dependence at the longer time scale. In the case of the binary mixture solvent, the relaxation time is inversely proportional to the diffusion coefficient. On the basis of the nonpolar solvation dynamics, the validity of the isolated binary collision model for the vibrational energy relaxation is also discussed, and the recent hydrodynamic theory on the vibrational energy relaxation [B. J. Cherayil and M. D. Feyer, J. Chem. Phys. 107, 7642 (1997)] is critically examined.

Dynamic dual-energy chest radiography: a potential tool for lung tissue motion monitoring and kinetic study

PubMed Central

Xu, Tong; Ducote, Justin L.; Wong, Jerry T.; Molloi, Sabee

2011-01-01

Dual-energy chest radiography has the potential to provide better diagnosis of lung disease by removing the bone signal from the image. Dynamic dual-energy radiography is now possible with the introduction of digital flat panel detectors. The purpose of this study is to evaluate the feasibility of using dynamic dual-energy chest radiography for functional lung imaging and tumor motion assessment. The dual energy system used in this study can acquire up to 15 frame of dual-energy images per second. A swine animal model was mechanically ventilated and imaged using the dual-energy system. Sequences of soft-tissue images were obtained using dual-energy subtraction. Time subtracted soft-tissue images were shown to be able to provide information on regional ventilation. Motion tracking of a lung anatomic feature (a branch of pulmonary artery) was performed based on an image cross-correlation algorithm. The tracking precision was found to be better than 1 mm. An adaptive correlation model was established between the above tracked motion and an external surrogate signal (temperature within the tracheal tube). This model is used to predict lung feature motion using the continuous surrogate signal and low frame rate dual-energy images (0.1 to 3.0 frames /sec). The average RMS error of the prediction was (1.1 ± 0.3) mm. The dynamic dual-energy was shown to be potentially useful for lung functional imaging such as regional ventilation and kinetic studies. It can also be used for lung tumor motion assessment and prediction during radiation therapy. PMID:21285477

Dynamic dual-energy chest radiography: a potential tool for lung tissue motion monitoring and kinetic study.

PubMed

Xu, Tong; Ducote, Justin L; Wong, Jerry T; Molloi, Sabee

2011-02-21

Dual-energy chest radiography has the potential to provide better diagnosis of lung disease by removing the bone signal from the image. Dynamic dual-energy radiography is now possible with the introduction of digital flat-panel detectors. The purpose of this study is to evaluate the feasibility of using dynamic dual-energy chest radiography for functional lung imaging and tumor motion assessment. The dual-energy system used in this study can acquire up to 15 frames of dual-energy images per second. A swine animal model was mechanically ventilated and imaged using the dual-energy system. Sequences of soft-tissue images were obtained using dual-energy subtraction. Time subtracted soft-tissue images were shown to be able to provide information on regional ventilation. Motion tracking of a lung anatomic feature (a branch of pulmonary artery) was performed based on an image cross-correlation algorithm. The tracking precision was found to be better than 1 mm. An adaptive correlation model was established between the above tracked motion and an external surrogate signal (temperature within the tracheal tube). This model is used to predict lung feature motion using the continuous surrogate signal and low frame rate dual-energy images (0.1-3.0 frames per second). The average RMS error of the prediction was (1.1 ± 0.3) mm. The dynamic dual energy was shown to be potentially useful for lung functional imaging such as regional ventilation and kinetic studies. It can also be used for lung tumor motion assessment and prediction during radiation therapy.

Statistical properties of proportional residual energy intake as a new measure of energetic efficiency.

PubMed

Zamani, Pouya

2017-08-01

Traditional ratio measures of efficiency, including feed conversion ratio (FCR), gross milk efficiency (GME), gross energy efficiency (GEE) and net energy efficiency (NEE) may have some statistical problems including high correlations with milk yield. Residual energy intake (REI) or residual feed intake (RFI) is another criterion, proposed to overcome the problems attributed to the traditional ratio criteria, but it does not account for production or intake levels. For example, the same REI value could be considerable for low producing and negligible for high producing cows. The aim of this study was to propose a new measure of efficiency to overcome the problems attributed to the previous criteria. A total of 1478 monthly records of 268 lactating Holstein cows were used for this study. In addition to FCR, GME, GEE, NEE and REI, a new criterion called proportional residual energy intake (PREI) was calculated as REI to net energy intake ratio and defined as proportion of net energy intake lost as REI. The PREI had an average of -0·02 and range of -0·36 to 0·27, meaning that the least efficient cow lost 0·27 of her net energy intake as REI, while the most efficient animal saved 0·36 of her net energy intake as less REI. Traditional ratio criteria (FCR, GME, GEE and NEE) had high correlations with milk and fat corrected milk yields (absolute values from 0·469 to 0·816), while the REI and PREI had low correlations (0·000 to 0·069) with milk production. The results showed that the traditional ratio criteria (FCR, GME, GEE and NEE) are highly influenced by production traits, while the REI and PREI are independent of production level. Moreover, the PREI adjusts the REI magnitude for intake level. It seems that the PREI could be considered as a worthwhile measure of efficiency for future studies.

Stone Attenuation Values Measured by Average Hounsfield Units and Stone Volume as Predictors of Total Laser Energy Required During Ureteroscopic Lithotripsy Using Holmium:Yttrium-Aluminum-Garnet Lasers.

PubMed

Ofude, Mitsuo; Shima, Takashi; Yotsuyanagi, Satoshi; Ikeda, Daisuke

2017-04-01

To evaluate the predictors of the total laser energy (TLE) required during ureteroscopic lithotripsy (URS) using the holmium:yttrium-aluminum-garnet (Ho:YAG) laser for a single ureteral stone. We retrospectively analyzed the data of 93 URS procedures performed for a single ureteral stone in our institution from November 2011 to September 2015. We evaluated the association between TLE and preoperative clinical data, such as age, sex, body mass index, and noncontrast computed tomographic findings, including stone laterality, location, maximum diameter, volume, stone attenuation values measured using average Hounsfield units (HUs), and presence of secondary signs (severe hydronephrosis, tissue rim sign, and perinephric stranding). The mean maximum stone diameter, volume, and average HUs were 9.2 ± 3.8 mm, 283.2 ± 341.4 mm 3 , and 863 ± 297, respectively. The mean TLE and operative time were 2.93 ± 3.27 kJ and 59.1 ± 28.1 minutes, respectively. Maximum stone diameter, volume, average HUs, severe hydronephrosis, and tissue rim sign were significantly correlated with TLE (Spearman's rho analysis). Stepwise multiple linear regression analysis defining stone volume, average HUs, severe hydronephrosis, and tissue rim sign as explanatory variables showed that stone volume and average HUs were significant predictors of TLE (standardized coefficients of 0.565 and 0.320, respectively; adjusted R 2  = 0.55, F = 54.7, P <.001). Stone attenuation values measured by average HUs and stone volume were strong predictors of TLE during URS using Ho:YAG laser procedures. Copyright © 2016 Elsevier Inc. All rights reserved.

Reproducibility and validity of the Shanghai Men's Health Study physical activity questionnaire.

PubMed

Jurj, Adriana L; Wen, Wanqing; Xiang, Yong-Bing; Matthews, Charles E; Liu, Dake; Zheng, Wei; Shu, Xiao-Ou

2007-05-15

Reproducibility and validity of the physical activity questionnaire (PAQ) used in the Shanghai Men's Health Study (2003-2006, People's Republic of China) was evaluated in a random sample of 196 participants aged 40-74 years. Participants completed a PAQ at baseline and again 1 year later, 12 monthly 7-day physical activity recalls, and four quarterly 1-week physical activity logs. Reproducibility was evaluated by using the two PAQs and validity by comparing the PAQs with 1-year averages of the two criterion measures: 7-day physical activity recall and physical activity log. The PAQ had moderate to high reproducibility for measuring adult exercise participation (kappa = 0.60) and energy expenditure (r(s) = 0.68), nonexercise activities (correlation coefficients = 0.42-0.68), and total daily energy expenditure (r(s) = 0.68, kappa(quartiles) = 0.47). Correlations between the PAQ and criterion measures of adult exercise were 0.45 (7-day physical activity recall) and 0.51 (physical activity log) for the first PAQ and 0.62 (7-day physical activity recall) and 0.71 (physical activity log) for the second PAQ. Correlations between PAQ nonexercise activities and the physical activity log and 7-day physical activity recall were 0.31-0.86. Correlations for total energy expenditure were high (0.62-0.77). Results indicate that the Shanghai Men's Health Study PAQ has reasonable reproducibility and validity for classifying men by their level of exercise and nonexercise activities in this cohort.

An accurate global potential energy surface, dipole moment surface, and rovibrational frequencies for NH3

NASA Astrophysics Data System (ADS)

Huang, Xinchuan; Schwenke, David W.; Lee, Timothy J.

2008-12-01

A global potential energy surface (PES) that includes short and long range terms has been determined for the NH3 molecule. The singles and doubles coupled-cluster method that includes a perturbational estimate of connected triple excitations and the internally contracted averaged coupled-pair functional electronic structure methods have been used in conjunction with very large correlation-consistent basis sets, including diffuse functions. Extrapolation to the one-particle basis set limit was performed and core correlation and scalar relativistic contributions were included directly, while the diagonal Born-Oppenheimer correction was added. Our best purely ab initio PES, denoted "mixed," is constructed from two PESs which differ in whether the ic-ACPF higher-order correlation correction was added or not. Rovibrational transition energies computed from the mixed PES agree well with experiment and the best previous theoretical studies, but most importantly the quality does not deteriorate even up to 10300cm-1 above the zero-point energy (ZPE). The mixed PES was improved further by empirical refinement using the most reliable J =0-2 rovibrational transitions in the HITRAN 2004 database. Agreement between high-resolution experiment and rovibrational transition energies computed from our refined PES for J =0-6 is excellent. Indeed, the root mean square (rms) error for 13 HITRAN 2004 bands for J =0-2 is 0.023cm-1 and that for each band is always ⩽0.06cm-1. For J =3-5 the rms error is always ⩽0.15cm-1. This agreement means that transition energies computed with our refined PES should be useful in the assignment of new high-resolution NH3 spectra and in correcting mistakes in previous assignments. Ideas for further improvements to our refined PES and for extension to other isotopolog are discussed.

An energetic scale for equilibrium H/D fractionation factors illuminates hydrogen bond free energies in proteins

PubMed Central

Cao, Zheng; Bowie, James U

2014-01-01

Equilibrium H/D fractionation factors have been extensively employed to qualitatively assess hydrogen bond strengths in protein structure, enzyme active sites, and DNA. It remains unclear how fractionation factors correlate with hydrogen bond free energies, however. Here we develop an empirical relationship between fractionation factors and free energy, allowing for the simple and quantitative measurement of hydrogen bond free energies. Applying our empirical relationship to prior fractionation factor studies in proteins, we find: [1] Within the folded state, backbone hydrogen bonds are only marginally stronger on average in α-helices compared to β-sheets by ∼0.2 kcal/mol. [2] Charge-stabilized hydrogen bonds are stronger than neutral hydrogen bonds by ∼2 kcal/mol on average, and can be as strong as –7 kcal/mol. [3] Changes in a few hydrogen bonds during an enzyme catalytic cycle can stabilize an intermediate state by –4.2 kcal/mol. [4] Backbone hydrogen bonds can make a large overall contribution to the energetics of conformational changes, possibly playing an important role in directing conformational changes. [5] Backbone hydrogen bonding becomes more uniform overall upon ligand binding, which may facilitate participation of the entire protein structure in events at the active site. Our energetic scale provides a simple method for further exploration of hydrogen bond free energies. PMID:24501090

Direct Numerical Simulation of Pebble Bed Flows: Database Development and Investigation of Low-Frequency Temporal Instabilities

DOE PAGES

Fick, Lambert H.; Merzari, Elia; Hassan, Yassin A.

2017-02-20

Computational analyses of fluid flow through packed pebble bed domains using the Reynolds-averaged NavierStokes framework have had limited success in the past. Because of a lack of high-fidelity experimental or computational data, optimization of Reynolds-averaged closure models for these geometries has not been extensively developed. In the present study, direct numerical simulation was employed to develop a high-fidelity database that can be used for optimizing Reynolds-averaged closure models for pebble bed flows. A face-centered cubic domain with periodic boundaries was used. Flow was simulated at a Reynolds number of 9308 and cross-verified by using available quasi-DNS data. During the simulations,more » low-frequency instability modes were observed that affected the stationary solution. Furthermore, these instabilities were investigated by using the method of proper orthogonal decomposition, and a correlation was found between the time-dependent asymmetry of the averaged velocity profile data and the behavior of the highest energy eigenmodes.« less

Direct Numerical Simulation of Pebble Bed Flows: Database Development and Investigation of Low-Frequency Temporal Instabilities

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

Fick, Lambert H.; Merzari, Elia; Hassan, Yassin A.

Computational analyses of fluid flow through packed pebble bed domains using the Reynolds-averaged NavierStokes framework have had limited success in the past. Because of a lack of high-fidelity experimental or computational data, optimization of Reynolds-averaged closure models for these geometries has not been extensively developed. In the present study, direct numerical simulation was employed to develop a high-fidelity database that can be used for optimizing Reynolds-averaged closure models for pebble bed flows. A face-centered cubic domain with periodic boundaries was used. Flow was simulated at a Reynolds number of 9308 and cross-verified by using available quasi-DNS data. During the simulations,more » low-frequency instability modes were observed that affected the stationary solution. Furthermore, these instabilities were investigated by using the method of proper orthogonal decomposition, and a correlation was found between the time-dependent asymmetry of the averaged velocity profile data and the behavior of the highest energy eigenmodes.« less

A Mobile Phone Based Method to Assess Energy and Food Intake in Young Children: A Validation Study against the Doubly Labelled Water Method and 24 h Dietary Recalls

PubMed Central

Delisle Nyström, Christine; Forsum, Elisabet; Henriksson, Hanna; Trolle-Lagerros, Ylva; Larsson, Christel; Maddison, Ralph; Timpka, Toomas; Löf, Marie

2016-01-01

Mobile phones are becoming important instruments for assessing diet and energy intake. We developed the Tool for Energy Balance in Children (TECH), which uses a mobile phone to assess energy and food intake in pre-school children. The aims of this study were: (a) to compare energy intake (EI) using TECH with total energy expenditure (TEE) measured via doubly labelled water (DLW); and (b) to compare intakes of fruits, vegetables, fruit juice, sweetened beverages, candy, ice cream, and bakery products using TECH with intakes acquired by 24 h dietary recalls. Participants were 39 healthy, Swedish children (5.5 ± 0.5 years) within the ongoing Mobile-based Intervention Intended to Stop Obesity in Preschoolers (MINISTOP) obesity prevention trial. Energy and food intakes were assessed during four days using TECH and 24 h telephone dietary recalls. Mean EI (TECH) was not statistically different from TEE (DLW) (5820 ± 820 kJ/24 h and 6040 ± 680kJ/24 h, respectively). No significant differences in the average food intakes using TECH and 24 h dietary recalls were found. All food intakes were correlated between TECH and the 24 h dietary recalls (ρ = 0.665–0.896, p < 0.001). In conclusion, TECH accurately estimated the average intakes of energy and selected foods and thus has the potential to be a useful tool for dietary studies in pre-school children, for example obesity prevention trials. PMID:26784226

Particle model for nonlocal heat transport in fusion plasmas.

PubMed

Bufferand, H; Ciraolo, G; Ghendrih, Ph; Lepri, S; Livi, R

2013-02-01

We present a simple stochastic, one-dimensional model for heat transfer in weakly collisional media as fusion plasmas. Energies of plasma particles are treated as lattice random variables interacting with a rate inversely proportional to their energy schematizing a screened Coulomb interaction. We consider both the equilibrium (microcanonical) and nonequilibrium case in which the system is in contact with heat baths at different temperatures. The model exhibits a characteristic length of thermalization that can be associated with an interaction mean free path and one observes a transition from ballistic to diffusive regime depending on the average energy of the system. A mean-field expression for heat flux is deduced from system heat transport properties. Finally, it is shown that the nonequilibrium steady state is characterized by long-range correlations.

Assessment of Heavy Metal Contamination in Marine Sediments of East Coast of Tamil Nadu Affected by Different Pollution Sources.

PubMed

Harikrishnan, N; Ravisankar, R; Chandrasekaran, A; Suresh Gandhi, M; Kanagasabapathy, K V; Prasad, M V R; Satapathy, K K

2017-08-15

The aim of this study was to determine the concentration of heavy metals in the sediments of Periyakalapet to Parangipettai coast, east coast of Tamil Nadu, by using energy-dispersive X-ray fluorescence (EDXRF) technique. The average heavy metal concentrations in the sediment samples were found in the order Al>Fe>Ca>Ti>K>Mg>Mn>Ba>V>Cr>Zn>La>Ni>Pb>Co>Cd>Cu. The average heavy metal concentrations were below the world crustal average. The degree of contamination by heavy metals was evaluated using pollution indices. The results of pollution indices revealed that titanium (Ti) and cadmium (Cd) were significantly enriched in sediments. Pearson correlation analysis was performed among heavy metal concentrations to know the existing relationship between them. Multivariate statistical technique was employed to identify the heavy metal pollution sources. Copyright © 2017 Elsevier Ltd. All rights reserved.

Volatilization of organic compounds from streams

USGS Publications Warehouse

Rathburn, R.E.; Tai, D.Y.

1982-01-01

Mass-transfer coefficients for the volatilization of ethylene and propane were correlated with the hydraulic and geometric properties of seven streams, and predictive equations were developed. The equations were evaluated using a normalized root-mean-square error as the criterion of comparison. The two best equations were a two-variable equation containing the energy dissipated per unit mass per unit time and the average depth of flow and a three-variable equation containing the average velocity, the average depth of flow, and the slope of the stream. Procedures for adjusting the ethylene and propane coefficients for other organic compounds were evaluated. These procedures are based on molecular diffusivity, molecular diameter, or molecular weight. Because of limited data, none of these procedures have been extensively verified. Therefore, until additional data become available, it is suggested that the mass-transfer coefficient be assumed to be inversely proportional to the square root of the molecular weight.

Femtoscopy with identified charged pions in proton-lead collisions at s NN = 5.02 TeV with ATLAS

DOE PAGES

Aaboud, M.; Aad, G.; Abbott, B.; ...

2017-12-28

Bose-Einsmore » tein correlations between identified charged pions are measured for p+Pb collisions at s NN =5.02 TeV using data recorded by the ATLAS detector at the CERN Large Hadron Collider corresponding to a total integrated luminosity of 28nb-1. Pions are identified using ionization energy loss measured in the pixel detector. Two-particle correlation functions and the extracted source radii are presented as a function of collision centrality as well as the average transverse momentum (kT) and rapidity (yππ) of the pair. Pairs are selected with a rapidity -2 < yππ < 1 and with an average transverse momentum 0.1 < kT < 0.8GeV. The effect of jet fragmentation on the two-particle correlation function is studied, and a method using opposite-charge pair data to constrain its contributions to the measured correlations is described. The measured source sizes are substantially larger in more central collisions and are observed to decrease with increasing pair kT. A correlation of the radii with the local charged-particle density is demonstrated. The scaling of the extracted radii with the mean number of participating nucleons is also used to compare a selection of initial-geometry models. The cross term Rol is measured as a function of rapidity, and a nonzero value is observed with 5.1σ combined significance for -1 < yππ < 1 in the most central events.« less

Femtoscopy with identified charged pions in proton-lead collisions at s NN = 5.02 TeV with ATLAS

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

Aaboud, M.; Aad, G.; Abbott, B.

Bose-Einsmore » tein correlations between identified charged pions are measured for p+Pb collisions at s NN =5.02 TeV using data recorded by the ATLAS detector at the CERN Large Hadron Collider corresponding to a total integrated luminosity of 28nb-1. Pions are identified using ionization energy loss measured in the pixel detector. Two-particle correlation functions and the extracted source radii are presented as a function of collision centrality as well as the average transverse momentum (kT) and rapidity (yππ) of the pair. Pairs are selected with a rapidity -2 < yππ < 1 and with an average transverse momentum 0.1 < kT < 0.8GeV. The effect of jet fragmentation on the two-particle correlation function is studied, and a method using opposite-charge pair data to constrain its contributions to the measured correlations is described. The measured source sizes are substantially larger in more central collisions and are observed to decrease with increasing pair kT. A correlation of the radii with the local charged-particle density is demonstrated. The scaling of the extracted radii with the mean number of participating nucleons is also used to compare a selection of initial-geometry models. The cross term Rol is measured as a function of rapidity, and a nonzero value is observed with 5.1σ combined significance for -1 < yππ < 1 in the most central events.« less

Femtoscopy with identified charged pions in proton-lead collisions at √{sNN}=5.02 TeV with ATLAS

NASA Astrophysics Data System (ADS)

Aaboud, M.; Aad, G.; Abbott, B.; Abdallah, J.; Abdinov, O.; Abeloos, B.; Aben, R.; Abouzeid, O. S.; Abraham, N. L.; Abramowicz, H.; Abreu, H.; Abreu, R.; Abulaiti, Y.; Acharya, B. S.; Adamczyk, L.; Adams, D. L.; Adelman, J.; Adomeit, S.; Adye, T.; Affolder, A. A.; Agatonovic-Jovin, T.; Agricola, J.; Aguilar-Saavedra, J. A.; Ahlen, S. P.; Ahmadov, F.; Aielli, G.; Akerstedt, H.; Åkesson, T. P. A.; Akimov, A. V.; Alberghi, G. L.; Albert, J.; Albrand, S.; Alconadaâ Verzini, M. J.; Aleksa, M.; Aleksandrov, I. N.; Alexa, C.; Alexander, G.; Alexopoulos, T.; Alhroob, M.; Ali, B.; Aliev, M.; Alimonti, G.; Alison, J.; Alkire, S. P.; Allbrooke, B. M. M.; Allen, B. W.; Allport, P. P.; Aloisio, A.; Alonso, A.; Alonso, F.; Alpigiani, C.; Alshehri, A. A.; Alstaty, M.; Alvarezâ Gonzalez, B.; Álvarezâ Piqueras, D.; Alviggi, M. G.; Amadio, B. T.; Amako, K.; Amaralâ Coutinho, Y.; Amelung, C.; Amidei, D.; Amorâ Dosâ Santos, S. P.; Amorim, A.; Amoroso, S.; Amundsen, G.; Anastopoulos, C.; Ancu, L. S.; Andari, N.; Andeen, T.; Anders, C. F.; Anders, G.; Anders, J. K.; Anderson, K. J.; Andreazza, A.; Andrei, V.; Angelidakis, S.; Angelozzi, I.; Anger, P.; Angerami, A.; Anghinolfi, F.; Anisenkov, A. V.; Anjos, N.; Annovi, A.; Antel, C.; Antonelli, M.; Antonov, A.; Anulli, F.; Aoki, M.; Aperioâ Bella, L.; Arabidze, G.; Arai, Y.; Araque, J. P.; Arce, A. T. H.; Arduh, F. A.; Arguin, J.-F.; Argyropoulos, S.; Arik, M.; Armbruster, A. J.; Armitage, L. J.; Arnaez, O.; Arnold, H.; Arratia, M.; Arslan, O.; Artamonov, A.; Artoni, G.; Artz, S.; Asai, S.; Asbah, N.; Ashkenazi, A.; Åsman, B.; Asquith, L.; Assamagan, K.; Astalos, R.; Atkinson, M.; Atlay, N. B.; Augsten, K.; Avolio, G.; Axen, B.; Ayoub, M. K.; Azuelos, G.; Baak, M. A.; Baas, A. E.; Baca, M. J.; Bachacou, H.; Bachas, K.; Backes, M.; Backhaus, M.; Bagiacchi, P.; Bagnaia, P.; Bai, Y.; Baines, J. T.; Baker, O. K.; Baldin, E. M.; Balek, P.; Balestri, T.; Balli, F.; Balunas, W. K.; Banas, E.; Banerjee, Sw.; Bannoura, A. A. 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M.; Semprini-Cesari, N.; Serfon, C.; Serin, L.; Serkin, L.; Sessa, M.; Seuster, R.; Severini, H.; Sfiligoj, T.; Sforza, F.; Sfyrla, A.; Shabalina, E.; Shaikh, N. W.; Shan, L. Y.; Shang, R.; Shank, J. T.; Shapiro, M.; Shatalov, P. B.; Shaw, K.; Shaw, S. M.; Shcherbakova, A.; Shehu, C. Y.; Sherwood, P.; Shi, L.; Shimizu, S.; Shimmin, C. O.; Shimojima, M.; Shiyakova, M.; Shmeleva, A.; Shoalehâ Saadi, D.; Shochet, M. J.; Shojaii, S.; Shope, D. R.; Shrestha, S.; Shulga, E.; Shupe, M. A.; Sicho, P.; Sickles, A. M.; Sidebo, P. E.; Sidiropoulou, O.; Sidorov, D.; Sidoti, A.; Siegert, F.; Sijacki, Dj.; Silva, J.; Silverstein, S. B.; Simak, V.; Simic, Lj.; Simion, S.; Simioni, E.; Simmons, B.; Simon, D.; Simon, M.; Sinervo, P.; Sinev, N. B.; Sioli, M.; Siragusa, G.; Sivoklokov, S. Yu.; Sjölin, J.; Skinner, M. B.; Skottowe, H. P.; Skubic, P.; Slater, M.; Slavicek, T.; Slawinska, M.; Sliwa, K.; Slovak, R.; Smakhtin, V.; Smart, B. H.; Smestad, L.; Smiesko, J.; Smirnov, S. Yu.; Smirnov, Y.; Smirnova, L. N.; Smirnova, O.; Smith, M. N. K.; Smith, R. W.; Smizanska, M.; Smolek, K.; Snesarev, A. A.; Snyder, S.; Sobie, R.; Socher, F.; Soffer, A.; Soh, D. A.; Sokhrannyi, G.; Solansâ Sanchez, C. A.; Solar, M.; Soldatov, E. Yu.; Soldevila, U.; Solodkov, A. A.; Soloshenko, A.; Solovyanov, O. V.; Solovyev, V.; Sommer, P.; Son, H.; Song, H. Y.; Sood, A.; Sopczak, A.; Sopko, V.; Sorin, V.; Sosa, D.; Sotiropoulou, C. L.; Soualah, R.; Soukharev, A. M.; South, D.; Sowden, B. C.; Spagnolo, S.; Spalla, M.; Spangenberg, M.; Spanò, F.; Sperlich, D.; Spettel, F.; Spighi, R.; Spigo, G.; Spiller, L. A.; Spousta, M.; St. Denis, R. D.; Stabile, A.; Stamen, R.; Stamm, S.; Stanecka, E.; Stanek, R. W.; Stanescu, C.; Stanescu-Bellu, M.; Stanitzki, M. M.; Stapnes, S.; Starchenko, E. A.; Stark, G. H.; Stark, J.; Stark, S. H.; Staroba, P.; Starovoitov, P.; Stärz, S.; Staszewski, R.; Steinberg, P.; Stelzer, B.; Stelzer, H. J.; Stelzer-Chilton, O.; Stenzel, H.; Stewart, G. A.; Stillings, J. A.; Stockton, M. C.; Stoebe, M.; Stoicea, G.; Stolte, P.; Stonjek, S.; Stradling, A. R.; Straessner, A.; Stramaglia, M. E.; Strandberg, J.; Strandberg, S.; Strandlie, A.; Strauss, M.; Strizenec, P.; Ströhmer, R.; Strom, D. M.; Stroynowski, R.; Strubig, A.; Stucci, S. A.; Stugu, B.; Styles, N. A.; Su, D.; Su, J.; Suchek, S.; Sugaya, Y.; Suk, M.; Sulin, V. V.; Sultansoy, S.; Sumida, T.; Sun, S.; Sun, X.; Sundermann, J. E.; Suruliz, K.; Susinno, G.; Sutton, M. R.; Suzuki, S.; Svatos, M.; Swiatlowski, M.; Sykora, I.; Sykora, T.; Ta, D.; Taccini, C.; Tackmann, K.; Taenzer, J.; Taffard, A.; Tafirout, R.; Taiblum, N.; Takai, H.; Takashima, R.; Takeshita, T.; Takubo, Y.; Talby, M.; Talyshev, A. A.; Tan, K. G.; Tanaka, J.; Tanaka, M.; Tanaka, R.; Tanaka, S.; Tanioka, R.; Tannenwald, B. B.; Tapiaâ Araya, S.; Tapprogge, S.; Tarem, S.; Tartarelli, G. F.; Tas, P.; Tasevsky, M.; Tashiro, T.; Tassi, E.; Tavaresâ Delgado, A.; Tayalati, Y.; Taylor, A. C.; Taylor, G. N.; Taylor, P. T. E.; Taylor, W.; Teischinger, F. A.; Teixeira-Dias, P.; Temple, D.; Tenâ Kate, H.; Teng, P. K.; Teoh, J. J.; Tepel, F.; Terada, S.; Terashi, K.; Terron, J.; Terzo, S.; Testa, M.; Teuscher, R. J.; Theveneaux-Pelzer, T.; Thomas, J. P.; Thomas-Wilsker, J.; Thompson, E. N.; Thompson, P. D.; Thompson, A. S.; Thomsen, L. A.; Thomson, E.; Thomson, M.; Tibbetts, M. J.; Ticseâ Torres, R. E.; Tikhomirov, V. O.; Tikhonov, Yu. A.; Timoshenko, S.; Tipton, P.; Tisserant, S.; Todome, K.; Todorov, T.; Todorova-Nova, S.; Tojo, J.; Tokár, S.; Tokushuku, K.; Tolley, E.; Tomlinson, L.; Tomoto, M.; Tompkins, L.; Toms, K.; Tong, B.; Torrence, E.; Torres, H.; Torróâ Pastor, E.; Toth, J.; Touchard, F.; Tovey, D. R.; Trefzger, T.; Tricoli, A.; Trigger, I. M.; Trincaz-Duvoid, S.; Tripiana, M. F.; Trischuk, W.; Trocmé, B.; Trofymov, A.; Troncon, C.; Trottier-McDonald, M.; Trovatelli, M.; Truong, L.; Trzebinski, M.; Trzupek, A.; Tseng, J. C.-L.; Tsiareshka, P. V.; Tsipolitis, G.; Tsirintanis, N.; Tsiskaridze, S.; Tsiskaridze, V.; Tskhadadze, E. G.; Tsui, K. M.; Tsukerman, I. I.; Tsulaia, V.; Tsuno, S.; Tsybychev, D.; Tu, Y.; Tudorache, A.; Tudorache, V.; Tuna, A. N.; Tupputi, S. A.; Turchikhin, S.; Turecek, D.; Turgeman, D.; Turra, R.; Turvey, A. J.; Tuts, P. M.; Tyndel, M.; Ucchielli, G.; Ueda, I.; Ughetto, M.; Ukegawa, F.; Unal, G.; Undrus, A.; Unel, G.; Ungaro, F. C.; Unno, Y.; Unverdorben, C.; Urban, J.; Urquijo, P.; Urrejola, P.; Usai, G.; Vacavant, L.; Vacek, V.; Vachon, B.; Valderanis, C.; Valdesâ Santurio, E.; Valencic, N.; Valentinetti, S.; Valero, A.; Valéry, L.; Valkar, S.; Vallsâ Ferrer, J. A.; Vanâ Denâ Wollenberg, W.; Vanâ Derâ Deijl, P. C.; Vanâ Derâ Graaf, H.; Vanâ Eldik, N.; Vanâ Gemmeren, P.; Vanâ Nieuwkoop, J.; Vanâ Vulpen, I.; Vanâ Woerden, M. C.; Vanadia, M.; Vandelli, W.; Vanguri, R.; Vaniachine, A.; Vankov, P.; Vardanyan, G.; Vari, R.; Varnes, E. W.; Varol, T.; Varouchas, D.; Vartapetian, A.; Varvell, K. E.; Vasquez, J. G.; Vasquez, G. A.; Vazeille, F.; Vazquezâ Schroeder, T.; Veatch, J.; Veeraraghavan, V.; Veloce, L. M.; Veloso, F.; Veneziano, S.; Ventura, A.; Venturi, M.; Venturi, N.; Venturini, A.; Vercesi, V.; Verducci, M.; Verkerke, W.; Vermeulen, J. C.; Vest, A.; Vetterli, M. C.; Viazlo, O.; Vichou, I.; Vickey, T.; Vickeyâ Boeriu, O. E.; Viehhauser, G. H. A.; Viel, S.; Vigani, L.; Villa, M.; Villaplanaâ Perez, M.; Vilucchi, E.; Vincter, M. G.; Vinogradov, V. B.; Vittori, C.; Vivarelli, I.; Vlachos, S.; Vlasak, M.; Vogel, M.; Vokac, P.; Volpi, G.; Volpi, M.; Vonâ Derâ Schmitt, H.; Vonâ Toerne, E.; Vorobel, V.; Vorobev, K.; Vos, M.; Voss, R.; Vossebeld, J. H.; Vranjes, N.; Vranjesâ Milosavljevic, M.; Vrba, V.; Vreeswijk, M.; Vuillermet, R.; Vukotic, I.; Vykydal, Z.; Wagner, P.; Wagner, W.; Wahlberg, H.; Wahrmund, S.; Wakabayashi, J.; Walder, J.; Walker, R.; Walkowiak, W.; Wallangen, V.; Wang, C.; Wang, C.; Wang, F.; Wang, H.; Wang, H.; Wang, J.; Wang, J.; Wang, K.; Wang, R.; Wang, S. M.; Wang, T.; Wang, T.; Wang, W.; Wang, X.; Wanotayaroj, C.; Warburton, A.; Ward, C. P.; Wardrope, D. R.; Washbrook, A.; Watkins, P. M.; Watson, A. T.; Watson, M. F.; Watts, G.; Watts, S.; Waugh, B. M.; Webb, S.; Weber, M. S.; Weber, S. W.; Webster, J. S.; Weidberg, A. R.; Weinert, B.; Weingarten, J.; Weiser, C.; Weits, H.; Wells, P. S.; Wenaus, T.; Wengler, T.; Wenig, S.; Wermes, N.; Werner, M.; Werner, M. D.; Werner, P.; Wessels, M.; Wetter, J.; Whalen, K.; Whallon, N. L.; Wharton, A. M.; White, A.; White, M. J.; White, R.; Whiteson, D.; Wickens, F. J.; Wiedenmann, W.; Wielers, M.; Wiglesworth, C.; Wiik-Fuchs, L. A. M.; Wildauer, A.; Wilk, F.; Wilkens, H. G.; Williams, H. H.; Williams, S.; Willis, C.; Willocq, S.; Wilson, J. A.; Wingerter-Seez, I.; Winklmeier, F.; Winston, O. J.; Winter, B. T.; Wittgen, M.; Wittkowski, J.; Wolf, T. M. H.; Wolter, M. W.; Wolters, H.; Worm, S. D.; Wosiek, B. K.; Wotschack, J.; Woudstra, M. J.; Wozniak, K. W.; Wu, M.; Wu, M.; Wu, S. L.; Wu, X.; Wu, Y.; Wyatt, T. R.; Wynne, B. M.; Xella, S.; Xu, D.; Xu, L.; Yabsley, B.; Yacoob, S.; Yamaguchi, D.; Yamaguchi, Y.; Yamamoto, A.; Yamamoto, S.; Yamanaka, T.; Yamauchi, K.; Yamazaki, Y.; Yan, Z.; Yang, H.; Yang, H.; Yang, Y.; Yang, Z.; Yao, W.-M.; Yap, Y. C.; Yasu, Y.; Yatsenko, E.; Yauâ Wong, K. H.; Ye, J.; Ye, S.; Yeletskikh, I.; Yen, A. L.; Yildirim, E.; Yorita, K.; Yoshida, R.; Yoshihara, K.; Young, C.; Young, C. J. S.; Youssef, S.; Yu, D. R.; Yu, J.; Yu, J. M.; Yu, J.; Yuan, L.; Yuen, S. P. Y.; Yusuff, I.; Zabinski, B.; Zaidan, R.; Zaitsev, A. M.; Zakharchuk, N.; Zalieckas, J.; Zaman, A.; Zambito, S.; Zanello, L.; Zanzi, D.; Zeitnitz, C.; Zeman, M.; Zemla, A.; Zeng, J. C.; Zeng, Q.; Zengel, K.; Zenin, O.; Ženiš, T.; Zerwas, D.; Zhang, D.; Zhang, F.; Zhang, G.; Zhang, H.; Zhang, J.; Zhang, L.; Zhang, R.; Zhang, R.; Zhang, X.; Zhang, Z.; Zhao, X.; Zhao, Y.; Zhao, Z.; Zhemchugov, A.; Zhong, J.; Zhou, B.; Zhou, C.; Zhou, L.; Zhou, L.; Zhou, M.; Zhou, N.; Zhu, C. G.; Zhu, H.; Zhu, J.; Zhu, Y.; Zhuang, X.; Zhukov, K.; Zibell, A.; Zieminska, D.; Zimine, N. I.; Zimmermann, C.; Zimmermann, S.; Zinonos, Z.; Zinser, M.; Ziolkowski, M.; Živković, L.; Zobernig, G.; Zoccoli, A.; Zurâ Nedden, M.; Zwalinski, L.; Atlas Collaboration

2017-12-01

Bose-Einstein correlations between identified charged pions are measured for p +Pb collisions at √{sNN}=5.02 TeV using data recorded by the ATLAS detector at the CERN Large Hadron Collider corresponding to a total integrated luminosity of 28 nb-1 . Pions are identified using ionization energy loss measured in the pixel detector. Two-particle correlation functions and the extracted source radii are presented as a function of collision centrality as well as the average transverse momentum (kT) and rapidity (yππ ★) of the pair. Pairs are selected with a rapidity -2

General Trends of Dihedral Conformational Transitions in a Globular Protein

PubMed Central

Miao, Yinglong; Baudry, Jerome; Smith, Jeremy C.; McCammon, J. Andrew

2017-01-01

Dihedral conformational transitions are analyzed systematically in a model globular protein, cytochrome P450cam, to examine their structural and chemical dependences through combined conventional molecular dynamics (cMD), accelerated molecular dynamics (aMD) and Adaptive Biasing Force (ABF) simulations. The aMD simulations are performed at two acceleration levels, using dihedral and dual boost, respectively. In comparison with cMD, aMD samples protein dihedral transitions ~2 times faster on average using dihedral boost, and ~3.5 times faster using dual boost. In the protein backbone, significantly higher dihedral transition rates are observed in the Bend, Coil and Turn flexible regions, followed by the β bridge and β sheet, and then the helices. Moreover, protein sidechains of greater length exhibit higher transition rates on average in the aMD-enhanced sampling. Sidechains of the same length (particularly Nχ = 2) exhibit decreasing transition rates with residues when going from hydrophobic to polar, then charged and aromatic chemical types. The reduction of dihedral transition rates is found to be correlated with increasing energy barriers as identified through ABF free energy calculations. These general trends of dihedral conformational transitions provide important insights into the hierarchical dynamics and complex free energy landscapes of functional proteins. PMID:26799251

Electricity supply efficiency and organizational growth and profitability in Lagos, Nigeria

NASA Astrophysics Data System (ADS)

Adeleke, Adedeji Tajudeen

A modern and efficient infrastructure is a basic necessity for economic development and integration into the global economy. The specific problem was the inadequate and unreliable supply of electricity to manufacturing corporations in Lagos, Nigeria. The purpose of the current quantitative correlational research study was to examine if there was a correlation between electricity supply efficiency and organizational growth and profitability in manufacturing corporations in Lagos, Nigeria. The population of the current correlational research study involved 28 out of 34 manufacturing corporations from various industrial sectors in Lagos, Nigeria, that are listed and traded on the Nigerian Stock Exchange. Spearman rho correlations were used to assess the relationships between independent variables of electricity supply efficiency levels and the dependent variables of organizational growth and profitability. The result of the correlational analysis of the data revealed that there was a statistically significant, strong positive correlation between the Average Gross Income (1998-2007) and Average Actual Electricity supply efficiency level (1998-2007), rho = 0.57; p = 0.002. A statistically significant, strong positive correlation was found between the Average Balance Sheet Size (1998-2007) and Average Actual Electricity Supply Efficiency Level (1998-2007), rho = 0.54; p = 0.003. A statistically significant, strong positive correlation between the Average Profit After Tax (1998-2007) and Average Actual Electricity Supply Efficiency Level (1998-2007), rho = 0.60; p = 0.001, was found. No statistically significant correlation between the Average Return on Investment (1998-2007) and Average Actual Electricity supply efficiency level (1998-2007), rho = 0.19; p = 0.33, was discovered.

A Semi-Quantitative Food Frequency Questionnaire Validated in Hispanic Infants and Toddlers Aged 0 to 24 Months.

PubMed

Palacios, Cristina; Rivas-Tumanyan, Sona; Santiago-Rodríguez, Eduardo J; Sinigaglia, Olga; Ríos, Elaine M; Campos, Maribel; Diaz, Beatriz; Willett, Walter

2017-04-01

There are limited validated food frequency questionnaires (FFQs) for infants and toddlers, most of which were evaluated in Europe or Oceania, and the ones available for use in the United States have important limitations. Our aim was to assess the validity of an FFQ developed for infants and toddlers. A semi-quantitative FFQ was developed that included 52 food items, their sources, and portion sizes. The FFQ inquired about diets over the previous 7 days. Its validity was assessed in a cross-sectional study. Participants completed the FFQ, followed by a 24-hour recall on two occasions with 1 week between data collection. A total of 296 caregivers of infants and toddlers aged 0 to 24 months enrolled in the Special Supplemental Nutrition Program for Women, Infants, and Children, Puerto Rico. Intake of nutrients and food groups were averaged for the two FFQs and the two 24-hour food recalls, and adjusted for energy intake. Spearman correlations were performed for intakes of energy, nutrients, and foods between administrations and between instruments. Correlation coefficients were de-attenuated to account for variation in the 24-hour recalls. A total of 241 participants completed the study. Intake of all nutrients and foods were significantly correlated between FFQs and 24-hour recalls and between the means of FFQs and 24-hour food recalls. The de-attenuated correlation for nutrients between the FFQs and 24-hour recalls ranged from 0.26 (folate) to 0.77 (energy), with a mean correlation of 0.53. The de-attenuated correlation for food groups between the FFQs and 24-hour recalls ranged from 0.28 (sweets) to 0.80 (breast milk), with a mean correlation of 0.55. When analyses were restricted to those consuming foods other than breast milk or formula (n=186), results were similar. This semi-quantitative FFQ is a tool that offers reasonably valid rankings for intake of energy, nutrients, foods, and food groups in this sample of infants and toddlers. Copyright © 2017 Academy of Nutrition and Dietetics. Published by Elsevier Inc. All rights reserved.

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

Diakov, Victor; Brinkman, Gregory; Denholm, Paul

Using production-cost model (PLEXOS), we simulate the Western Interchange (WECC) at several levels of the yearly renewable energy (RE) generation, between 13% and 40% of the total load for the year. We look at the overall energy exchange between a region and the rest of the system (net interchange, NI), and find it useful to examine separately (i) (time-)variable and (ii) year-average components of the NI. Both contribute to inter-regional energy exchange, and are affected by wind and PV generation in the system. We find that net load variability (in relatively large portions of WECC) is the leading factor affectingmore » the variable component of inter-regional energy exchange, and the effect is quantifiable: higher regional net load correlation with the rest of the WECC lowers net interchange variability. Further, as the power mix significantly varies between WECC regions, effects of ‘flexibility import’ (regions ‘borrow’ ramping capability) are also observed.« less

Charge states of low energy ions from the sun. Ph.D. Thesis

NASA Technical Reports Server (NTRS)

Sciambi, R. K.

1975-01-01

Measurements of ionization states and energy spectra of carbon, oxygen, and iron accelerated in ten solar flare particle events are reported, for energies between 15 keV per nucleon and 600 keV per nucleon. The ionization states were remarkably constant from flare to flare, despite great variations in other event parameters. The mean ionization state for carbon was 5.7, for oxygen 6.2, and for iron 11.7, values which are similar to the respective ionization states in the solar wind. The time profile of the He/C+N+O ratio was examined, and it was found that the ratio was small early in the event, and increased with time. The energy spectra of the medium ions showed a flattening below 100 keV per nucleon, which was highly correlated with event size as measured by the event averaged flux of 130 to 220 keV protons.

Mitigating the impact of the DESI fiber assignment on galaxy clustering

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

Burden, Angela; Padmanabhan, Nikhil; Cahn, Robert N.

2017-03-01

We present a simple strategy to mitigate the impact of an incomplete spectroscopic redshift galaxy sample as a result of fiber assignment and survey tiling. The method has been designed for the Dark Energy Spectroscopic Instrument (DESI) galaxy survey but may have applications beyond this. We propose a modification to the usual correlation function that nulls the almost purely angular modes affected by survey incompleteness due to fiber assignment. Predictions of this modified statistic can be calculated given a model of the two point correlation function. The new statistic can be computed with a slight modification to the data cataloguesmore » input to the standard correlation function code and does not incur any additional computational time. Finally we show that the spherically averaged baryon acoustic oscillation signal is not biased by the new statistic.« less

Correlation Scales of the Turbulent Cascade at 1 au

NASA Astrophysics Data System (ADS)

Smith, Charles W.; Vasquez, Bernard J.; Coburn, Jesse T.; Forman, Miriam A.; Stawarz, Julia E.

2018-05-01

We examine correlation functions of the mixed, third-order expressions that, when ensemble-averaged, describe the cascade of energy in the inertial range of magnetohydrodynamic turbulence. Unlike the correlation function of primitive variables such as the magnetic field, solar wind velocity, temperature, and density, the third-order expressions decorrelate at a scale that is approximately 20% of the lag. This suggests the nonlinear dynamics decorrelate in less than one wavelength. Therefore, each scale can behave differently from one wavelength to the next. In the same manner, different scales within the inertial range can behave independently at any given time or location. With such a cascade that can be strongly patchy and highly variable, it is often possible to obtain negative cascade rates for short periods of time, as reported earlier for individual samples of data.

16 CFR Appendix K to Part 305 - Representative Average Unit Energy Costs

Code of Federal Regulations, 2014 CFR

2014-01-01

... 16 Commercial Practices 1 2014-01-01 2014-01-01 false Representative Average Unit Energy Costs K... CONGRESS ENERGY AND WATER USE LABELING FOR CONSUMER PRODUCTS UNDER THE ENERGY POLICY AND CONSERVATION ACT (âENERGY LABELING RULEâ) Pt. 305, App. K Appendix K to Part 305—Representative Average Unit Energy...

The importance of particle size in porous titanium and nonporous counterparts for surface energy and its impact on apatite formation.

PubMed

Chen, Xiao-Bo; Li, Yun-Cang; Hodgson, Peter D; Wen, Cuie

2009-07-01

The importance of particle size in titanium (Ti) fabricated by powder metallurgy for the surface energy and its impact on the apatite formation was investigated. Four sorts of Ti powders of different mean particle size were realized through 20min, 2h, 5h and 8h of ball milling, respectively. Each sort of Ti powder was used to fabricate porous Ti and its nonporous counterparts sharing similar surface morphology, grain size and chemical composition, and then alkali-heat treatment was conducted on them. Surface energy was measured on the surfaces of the nonporous Ti counterparts due to the difficulty in measuring the porous surfaces directly. The surface energy increase on the alkali-heat-treated porous and nonporous Ti was observed due to the decrease in the particle size of the Ti powders and the presence of Ti-OH groups brought by the alkali-heat treatment. The apatite-inducing ability of the alkali-heat-treated porous and nonporous Ti with different surface energy values was evaluated in modified simulated body fluid and results indicated that there was a strong correlation between the apatite-inducing ability and the surface energy. The alkali-heat-treated porous and nonporous Ti discs prepared from the powders with an average particle size of 5.89+/-0.76microm possessed the highest surface energy and the best apatite-inducing ability when compared to the samples produced from the powders with the average particle size varying from 19.79+/-0.31 to 10.25+/-0.39microm.

Health, Wealth and the Price of Oil

PubMed Central

Evans, Robert G.

2016-01-01

The correlation between health and wealth is arguably a very solidly established relationship. Yet that relationship may be reversing. Falling oil prices have raised (average) per capita incomes, worldwide. But from a long-run perspective they are a public health disaster. The latter is easy to see: low oil reduces the incentive to develop alternative energy sources and “bend the curve” of global warming. Their principal impact on incomes has been redistributional – Alberta and Russia lose, Ontario and Germany gain, etc. Zero net gain. But the price has fallen because technical progress in extracting American shale oil has forced the Saudis' hand. These efficiencies have real benefits for (average) incomes, but costs for long-run health. A compensating carbon tax is an obvious response. PMID:27232232

BROADBAND TIME-RESOLVED E{sub p,i}-L{sub iso} CORRELATION IN GAMMA-RAY BURSTS

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

Frontera, F.; Guidorzi, C.; Amati, L.

We report the results of a systematic study of the broadband (2-2000 keV) time-resolved prompt emission spectra of a sample of gamma-ray bursts (GRBs) detected with both Wide Field Cameras on board the BeppoSAX satellite and the BATSE experiment on board CGRO. In this first paper, we study the time-resolved dependence of the intrinsic peak energy E{sub p,i} of the E F(E) spectrum on the corresponding isotropic bolometric luminosity L{sub iso}. The E{sub p,i}-L{sub iso} relation or the equivalent relation between E{sub p,i} and the bolometric released energy E{sub iso}, derived using the time-averaged spectra of long GRBs with knownmore » redshift, is well established, but its physical origin is still a subject of discussion. In addition, some authors maintain that these relations are the result of instrumental selection effects. We find that not only a relation between the measured peak energy E{sub p} and the corresponding energy flux, but also a strong E{sub p,i} versus L{sub iso} correlation are found not only within each burst, but also are merging together the time-resolved data points from different GRBs. We do not expect significant instrumental selection effects that can affect the results obtained, apart from the fact that the GRBs in our sample are sufficiently bright to perform a time-resolved spectroscopy and that they have known redshift. If the fundamental physical process that gives rise to the GRB phenomenon does not depend on its brightness, we conclude that the E{sub p,i} versus L{sub iso} correlation found within each GRB is intrinsic to the emission process and that the correlations discovered by Amati et al. and Yonetoku et al. are likely not the result of selection effects. We also discuss the properties of the correlations found.« less

Multiple mobility edges in a 1D Aubry chain with Hubbard interaction in presence of electric field: Controlled electron transport

NASA Astrophysics Data System (ADS)

Saha, Srilekha; Maiti, Santanu K.; Karmakar, S. N.

2016-09-01

Electronic behavior of a 1D Aubry chain with Hubbard interaction is critically analyzed in presence of electric field. Multiple energy bands are generated as a result of Hubbard correlation and Aubry potential, and, within these bands localized states are developed under the application of electric field. Within a tight-binding framework we compute electronic transmission probability and average density of states using Green's function approach where the interaction parameter is treated under Hartree-Fock mean field scheme. From our analysis we find that selective transmission can be obtained by tuning injecting electron energy, and thus, the present model can be utilized as a controlled switching device.

ON THE NONTHERMAL κ-DISTRIBUTED ELECTRONS IN PLANETARY NEBULAE AND H ii REGIONS: THE κ INDEX AND ITS CORRELATIONS WITH OTHER NEBULAR PROPERTIES

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

Zhang, Yong; Zhang, Bing; Liu, Xiao-Wei, E-mail: zhangy96@hku.hk

2016-01-20

Recently, a suspicion arose that the free electrons in planetary nebulae (PNs) and H ii regions might have nonthermal energy distributions. In this scenario, a κ index is introduced to characterize the electron energy distributions, with smaller κ values indicating larger deviations from Maxwell–Boltzmann distributions. Assuming that this is the case, we determine the κ values for a sample of PNs and H ii regions by comparing the intensities of [O iii] collisionally excited lines and the hydrogen Balmer jump. We find the average κ indices of PNs and H ii regions to be 27 and 32, respectively. Correlations betweenmore » the resultant κ values and various physical properties of the nebulae are examined to explore the potential origin of nonthermal electrons in photoionized gaseous nebulae. However, no positive result is obtained. Thus, the current analysis does not lend support to the idea that κ-distributed electrons are present in PNs and H ii regions.« less

Energetics of a strongly correlated Fermi gas

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

Tan, Shina

2008-12-15

The energy of the two-component Fermi gas with the s-wave contact interaction is a simple linear functional of its momentum distribution: E{sub internal}=h{sup 2}{omega}C/4{pi}am+{sigma}{sub k{sigma}}(h{sup 2}k{sup 2}/2m)(n{sub k{sigma}}= -C/k{sup 4}) where the external potential energy is not included, a is the scattering length, {omega} is the volume, n{sub k{sigma}} is the average number of fermions with wave vector k and spin {sigma}, and C{identical_to}lim{sub k{yields}}{sub {infinity}}k{sup 4}n{sub k{up_arrow}}=lim{sub k{yields}}{sub {infinity}}k{sup 4}n{sub k{down_arrow}}. This result is a universal identity. Its proof is facilitated by a novel mathematical idea, which might be of utility in dealing with ultraviolet divergences in quantum fieldmore » theories. Other properties of this Fermi system, including pair correlations and the dimer-fermion scattering length, are also studied.« less

Calorimetry, chemical composition and in vitro digestibility of oilseeds.

PubMed

Ítavo, Luís Carlos Vinhas; Soares, Cláudia Muniz; Ítavo, Camila Celeste Brandão Ferreira; Dias, Alexandre Menezes; Petit, Hélène Veronique; Leal, Eduardo Souza; de Souza, Anderson Dias Vieira

2015-10-15

The objective of the study was to determine the quality of sunflower, soybean, crambe, radish forage and physic nut, by measuring chemical composition, in vitro digestibility and kinetics of thermal decomposition processes of mass loss and heat flow. Lipid was inversely correlated with protein of whole seed (R = -0.67), meal (R = -0.95), and press cake (R = -0.78), and positively correlated with the enthalpy (ΔH) of whole seed. Soybean seed and meal presented a high in vitro digestibility but poor energy sources with ΔH averaging 5907.5 J/g and 2570.1J/g for whole seed and meal, respectively. As suggested by the release of heat, measured by ΔH, whole seeds of crambe (6295.1J/g), radish forage (6182.7 J/g), and physic nut (6420.0 J/g) may be potential energy sources for ruminant animals. The thermal analysis provided additional information besides that obtained from the usual wet chemistry and in vitro measurements. Copyright © 2015 Elsevier Ltd. All rights reserved.

Search for a Correlation Between Very-High-Energy Gamma Rays and Giant Radio Pulses in the Crab Pulsar

NASA Technical Reports Server (NTRS)

Aliu, E.; Archambault, S.; Arlen, T.; Aune, T.; Beilicke, M.; Benbow, W.; Bouvier, A.; Buckley, J. H.; Bugaev, V.; Byrum, K.;

Investigation into the Effects of Textural Properties on Cuttability Performance of a Chisel Tool

NASA Astrophysics Data System (ADS)

Tumac, Deniz; Copur, Hanifi; Balci, Cemal; Er, Selman; Avunduk, Emre

2018-04-01

The main objective of this study is to investigate the effect of textural properties of stones on cutting performance of a standard chisel tool. Therewithal, the relationships between textural properties and cutting performance parameters and physical and mechanical properties were statistically analyzed. For this purpose, physical and mechanical property tests and mineralogical and petrographic analyses were carried out on eighteen natural stone samples, which can be grouped into three fundamentally different geological origins, i.e., metamorphic, igneous, and sedimentary. Then, texture coefficient analyses were performed on the samples. To determine the cuttability of the stones; the samples were cut with a portable linear cutting machine using a standard chisel tool at different depths of cut in unrelieved (non-interactive) cutting mode. The average and maximum forces (normal and cutting) and specific energy were measured, and the obtained values were correlated with texture coefficient, packing weighting, and grain size. With reference to the relation between depth of cut and cutting performance of the chisel tool for three types of natural stone groups, specific energy decreases with increasing depth of cut, and cutting forces increase in proportion to the depth of cut. The same is observed for the relationship between packing weighting and both of specific energy and cutter forces. On the other hand, specific energy and the forces decrease while grain size increases. Based on the findings of the present study, texture coefficient has strong correlation with specific energy. Generally, the lower depth of cut values in cutting tests shows higher and more reliable correlations with texture coefficient than the increased depth of cut. The results of cutting tests show also that, at a lower depth of cut (less than 1.5 mm), even stronger correlations can be observed between texture coefficient and cutting performance. Experimental studies indicate that cutting performance of chisel tools can be predicted based on texture coefficients of the natural stones.

[Relationships between landscape structure and rocky desertification in karst region of northwestern Guangxi].

PubMed

Zhang, Xiao-nan; Wang, Ke-lin; Chen, Hong-song; Zhang, Wei

2008-11-01

By using canonical correspondence analysis (CCA), sixteen landscape indices were adopted to quantitatively analyze the relationships between the landscape structure and rocky desertification in karst region of Huanjiang County, Guangxi Province. The results showed that the first and the second ordination axis of CCA were strongly correlated to the factors of average patch area, average dry land patch area, landscape shape index, and landscape aggregation index. The potential rocky desertification in the region was highly positively correlated with the average dry land patch area and the average fractal dimensions of dry land and shrub land, but negatively correlated with the patch numbers of dry land. Light rocky desertification had obvious positive correlations with the fractal dimension index, average fractal dimension of unused land, and patch numbers of shrub land; while moderate and strong rocky desertification had high positive correlations with the average unused land patch area but negative correlation with the average fractal dimension of shrub land. To some extent, rocky desertification degree might be represented by the values of landscape indices. The gradient variation in karst rocky desertification along landscape structure was clearly presented by the results of CCA.

Adaptable Design Improvements for Electromagnetic Shock Wave Lithotripters and Techniques for Controlling Cavitation

NASA Astrophysics Data System (ADS)

Smith, Nathan Birchard

In this dissertation work, the aim was to garner better mechanistic understanding of how shock wave lithotripsy (SWL) breaks stones in order to guide design improvements to modern electromagnetic (EM) shock wave lithotripters. To accomplish this goal, experimental studies were carefully designed to isolate mechanisms of fragmentation, and models for wave propagation, fragmentation, and stone motion were developed. In the initial study, a representative EM lithotripter was characterized and tested for in vitro stone comminution efficiency at a variety of field positions and doses using phantom kidney stones of variable physical properties, and in different fluid mediums to isolate the contribution of cavitation. Through parametric analysis of the acoustic field measurements alongside comminution results, a logarithmic correlation was determined between average peak pressure incident on the stone surface and comminution efficiency. It was also noted that for a given stone type, the correlations converged to an average peak pressure threshold for fragmentation, independent of fluid medium in use. The correlation of average peak pressure to efficacy supports the rationale for the acoustic lens modifications, which were pursued to simultaneously enhance beam width and optimize the pulse profile of the lithotripter shock wave (LSW) via in situ pulse superposition for improved stone fragmentation by stress waves and cavitation, respectively. In parallel, a numerical model for wave propagation was used to investigate the variations of critical parameters with changes in lens geometry. A consensus was reached on a new lens design based on high-speed imaging and stone comminution experiments against the original lens at a fixed acoustic energy setting. The results have demonstrated that the new lens has improved efficacy away from the focus, where stones may move due to respiration, fragmentation, acoustic radiation forces, or voluntary patient movements. Using the traditional theory of brittle fragmentation and newfound understanding of average peak pressure correlation to stone comminution, the entire set of stone comminution data for lens comparison was heuristically modeled using a Weibull-style distribution function. This model linked both the average peak pressure and shock wave dose to efficacy, including their respective threshold parameters, and demonstrated correlation of coefficients to cavitation activity. Subsequently, this model was used in prediction of stone comminution efficiency from mimicked respiratory motions in vitro, which compared favorably to actual simulated motion studies using both the new and original lenses. Under a variety of mimicked respiratory motions, the new lens produced statistically higher stone comminution efficiency than the original lens. These results were confirmed in vivo in a swine model, where the new lens produced statistically higher stone comminution after 1,000 and 2,000 shocks. Finally, a mechanistic investigation into the effects of cavitation with the original lens was conducted using an integrated, self-focusing annular ring transducer specially designed for tandem pulse lithotripsy. It was found that cavitation and stone comminution efficiency are progressively enhanced by tandem pulsing as source energies of both the primary LSW and trailing pressure pulse increase, which suggests that cavitation and stress waves act synergistically to enhance the efficacy in kidney stone fragmentation.

Coincident measurements of prompt fission γ rays and fission fragments at DANCE

NASA Astrophysics Data System (ADS)

Walker, C. L.; Baramsai, B.; Jandel, M.; Rusev, G.; Couture, A.; Mosby, S.; Ullmann, J.; Kawano, T.; Stetcu, I.; Talou, P.

2015-10-01

Modern statistical approaches to modeling fission involve the calculation of not only average quantities but also fully correlated distributions of all fission products. Applications such as those involving the detection of special nuclear materials also rely on fully correlated data of fission products. Experimental measurements of correlated data are thus critical to the validation of theory and the development of important applications. The goal of this experiment was to measure properties of prompt fission gamma-ray emission as a function of fission fragments' total kinetic energy in the spontaneous fission of 252Cf. The measurement was carried out at the Detector for Advanced Neutron Capture Experiments (DANCE), a 4 π γ-ray calorimeter. A prototype design consisting of two silicon detectors was installed in the center of DANCE, allowing simultaneous measurement of fission fragments and γ rays. Effort has been taken to simulate fragment kinetic energy losses as well as γ-ray attenuation in DANCE using such tools as GEANT4 and SRIM. Theoretical predictions generated by the code CGMF were also incorporated as input for these simulations. Results from the experiment and simulations will be presented, along with plans for future measurements.

Kinetics of self-interstitial migration in bcc and fcc transition metals

NASA Astrophysics Data System (ADS)

Bukkuru, S.; Bhardwaj, U.; Srinivasa Rao, K.; Rao, A. D. P.; Warrier, M.; Valsakumar, M. C.

2018-03-01

Radiation damage is a multi-scale phenomenon. A thorough understanding of diffusivities and the migration energies of defects is a pre-requisite to quantify the after-effects of irradiation. We investigate the thermally activated mobility of self-interstitial atom (SIA) in bcc transition metals Fe, Mo, Nb and fcc transition metals Ag, Cu, Ni, Pt using molecular dynamics (MD) simulations. The self-interstitial diffusion involves various mechanisms such as interstitialcy, dumbbell or crowdion mechanisms. Max-Space Clustering (MSC) method has been employed to identify the interstitial and its configuration over a wide range of temperature. The self-interstitial diffusion is Arrhenius like, however, there is a slight deviation at high temperatures. The migration energies, pre-exponential factors of diffusion and jump-correlation factors, obtained from these simulations can be used as inputs to Monte Carlo simulations of defect transport. The jump-correlation factor shows the degree of preference of rectilinear or rotational jumps. We obtain the average jump-correlation factor of 1.4 for bcc metals and 0.44 for fcc metals. It indicates that rectilinear jumps are preferred in bcc metals and rotational jumps are preferred in fcc metals.

Relativity and the lead-acid battery.

PubMed

Ahuja, Rajeev; Blomqvist, Andreas; Larsson, Peter; Pyykkö, Pekka; Zaleski-Ejgierd, Patryk

2011-01-07

The energies of the solid reactants in the lead-acid battery are calculated ab initio using two different basis sets at nonrelativistic, scalar-relativistic, and fully relativistic levels, and using several exchange-correlation potentials. The average calculated standard voltage is 2.13 V, compared with the experimental value of 2.11 V. All calculations agree in that 1.7-1.8 V of this standard voltage arise from relativistic effects, mainly from PbO2 but also from PbSO4.

Structural and spectroscopic study of mechanically synthesized SnO2 nanostructures

NASA Astrophysics Data System (ADS)

Vij, Ankush; Kumar, Ravi

2016-05-01

We report the single step synthesis of SnO2 nanostructures using high energy mechanical attrition method. X-ray diffraction (XRD) pattern reveals the single phase rutile structure with appreciable broadening of diffraction peaks, which is a signature of nanostructure formation. The average crystallite size of SnO2 nanostructures has been calculated to be ~15 nm. The micro-Raman study reveals the shifting of A1g Raman mode towards lower wave number, which is correlated with the nanostructure formation.

Instrument to average 100 data sets

NASA Technical Reports Server (NTRS)

Tuma, G. B.; Birchenough, A. G.; Rice, W. J.

1977-01-01

An instrumentation system is currently under development which will measure many of the important parameters associated with the operation of an internal combustion engine. Some of these parameters include mass-fraction burn rate, ignition energy, and the indicated mean effective pressure. One of the characteristics of an internal combustion engine is the cycle-to-cycle variation of these parameters. A curve-averaging instrument has been produced which will generate the average curve, over 100 cycles, of any engine parameter. the average curve is described by 2048 discrete points which are displayed on an oscilloscope screen to facilitate recording and is available in real time. Input can be any parameter which is expressed as a + or - 10-volt signal. Operation of the curve-averaging instrument is defined between 100 and 6000 rpm. Provisions have also been made for averaging as many as four parameters simultaneously, with a subsequent decrease in resolution. This provides the means to correlate and perhaps interrelate the phenomena occurring in an internal combustion engine. This instrument has been used successfully on a 1975 Chevrolet V8 engine, and on a Continental 6-cylinder aircraft engine. While this instrument was designed for use on an internal combustion engine, with some modification it can be used to average any cyclically varying waveform.

A general method for the derivation of the functional forms of the effective energy terms in coarse-grained energy functions of polymers. I. Backbone potentials of coarse-grained polypeptide chains

NASA Astrophysics Data System (ADS)

Sieradzan, Adam K.; Makowski, Mariusz; Augustynowicz, Antoni; Liwo, Adam

2017-03-01

A general and systematic method for the derivation of the functional expressions for the effective energy terms in coarse-grained force fields of polymer chains is proposed. The method is based on the expansion of the potential of mean force of the system studied in the cluster-cumulant series and expanding the all-atom energy in the Taylor series in the squares of interatomic distances about the squares of the distances between coarse-grained centers, to obtain approximate analytical expressions for the cluster cumulants. The primary degrees of freedom to average about are the angles for collective rotation of the atoms contained in the coarse-grained interaction sites about the respective virtual-bond axes. The approach has been applied to the revision of the virtual-bond-angle, virtual-bond-torsional, and backbone-local-and-electrostatic correlation potentials for the UNited RESidue (UNRES) model of polypeptide chains, demonstrating the strong dependence of the torsional and correlation potentials on virtual-bond angles, not considered in the current UNRES. The theoretical considerations are illustrated with the potentials calculated from the ab initio potential-energy surface of terminally blocked alanine by numerical integration and with the statistical potentials derived from known protein structures. The revised torsional potentials correctly indicate that virtual-bond angles close to 90° result in the preference for the turn and helical structures, while large virtual-bond angles result in the preference for polyproline II and extended backbone geometry. The revised correlation potentials correctly reproduce the preference for the formation of β-sheet structures for large values of virtual-bond angles and for the formation of α-helical structures for virtual-bond angles close to 90°.

A numerical study of bidisperse particles in cluster-induced turbulence

NASA Astrophysics Data System (ADS)

Patel, Ravi; Kong, Bo; Capecelatro, Jesse; Fox, Rodney; Desjardins, Olivier

2016-11-01

Particle-laden turbulent flow is an important feature of many diverse environmental and industrial systems. To elucidate the mechanics of these types of flows, we study cluster-induced turbulence (CIT), wherein momentum coupling between a carrier fluid and setting particles leads to turbulent-like fluctuations in various quantities of interest. In this work, simulations of CIT with bidisperse particles are presented. The flow of kinetic energy is tracked from its generation due to drag until its dissipation due to fluid viscosity and particle collisions. As suggested by Fox (2014), the particle kinetic energy is separated into a correlated turbulent kinetic energy and an uncorrelated granular energy. An overall energy balance is computed for various exchange terms to determine their relative importance and to understand the underlying physical mechanisms in bidisperse CIT. Additionally, volume fraction and velocity statistics for both particle types and the fluid are presented. From these results, the consequences on closures for Reynolds-averaged stress models of particle-laden flows are discussed. National Science Foundation.

Why Is Benzene Unique? Screening Magnetic Properties of C6 H6 Isomers.

PubMed

Janda, Tomáš; Foroutan-Nejad, Cina

2018-05-25

Magnetic properties are commonly used to identify new aromatic molecules because it is generally believed that magnetization and energetic stability are correlated. To verify the potential correlation between the energy and magnetic response properties, we examined a set of 198 isomers of C 6 H 6 . The energy and magnetic properties of these molecules can be directly compared with no need to invoke any arbitrary reference state because the studied systems are all isomers. Benzene is the global minimum on the potential energy surface of C 6 H 6 , 35 kcal mol -1 lower in energy than the second most stable isomer, fulvene. Unlike its electronic energy, isotropic magnetizability of benzene is slightly lower than the average magnetizability of its isomers. Altogether, 44 isomers of C 6 H 6 were identified to have more negative magnetic susceptibility than benzene but were between 67.0 to 168.6 kcal mol -1 higher in energy than benzene. However, benzene is unique in two ways. Analyzing the paramagnetic contribution to the magnetic susceptibility as originally suggested by Bilde and Hansen (Mol. Phys., 1997, 92, 237) revealed that 53 molecules have lower paramagnetic susceptibility than benzene but among monocyclic systems benzene has the least paramagnetic susceptibility. Furthermore, benzene has the largest out-of-plane magnetic susceptibility that originates from the strongest ring current among all studied species. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Crouch severity is a poor predictor of elevated oxygen consumption in cerebral palsy.

PubMed

Steele, Katherine M; Shuman, Benjamin R; Schwartz, Michael H

2017-07-26

Children with cerebral palsy (CP) expend more energy to walk compared to typically-developing peers. One of the most prevalent gait patterns among children with CP, crouch gait, is often singled out as especially exhausting. The dynamics of crouch gait increase external flexion moments and the demand on extensor muscles. This elevated demand is thought to dramatically increase energy expenditure. However, the impact of crouch severity on energy expenditure has not been investigated among children with CP. We evaluated oxygen consumption and gait kinematics for 573 children with bilateral CP. The average net nondimensional oxygen consumption during gait of the children with CP (0.18±0.06) was 2.9 times that of speed-matched typically-developing peers. Crouch severity was only modestly related to oxygen consumption, with measures of knee flexion angle during gait explaining only 5-20% of the variability in oxygen consumption. While knee moment and muscle activity were moderately to strongly correlated with crouch severity (r 2 =0.13-0.73), these variables were only weakly correlated with oxygen consumption (r 2 =0.02-0.04). Thus, although the dynamics of crouch gait increased muscle demand, these effects did not directly result in elevated energy expenditure. In clinical gait analysis, assumptions about an individual's energy expenditure should not be based upon kinematics or kinetics alone. Identifying patient-specific factors that contribute to increased energy expenditure may provide new pathways to improve gait for children with CP. Copyright © 2017 Elsevier Ltd. All rights reserved.

Validation of a semi-quantitative food frequency questionnaire to assess food groups and nutrient intake.

PubMed

Macedo-Ojeda, Gabriela; Vizmanos-Lamotte, Barbara; Márquez-Sandoval, Yolanda Fabiola; Rodríguez-Rocha, Norma Patricia; López-Uriarte, Patricia Josefina; Fernández-Ballart, Joan D

2013-11-01

Semi-quantitative Food Frequency Questionnaires (FFQs) analyze average food and nutrient intake over extended periods to associate habitual dietary intake with health problems and chronic diseases. A tool of this nature applicable to both women and men is not presently available in Mexico. To validate a FFQ for adult men and women. The study was conducted on 97 participants, 61% were women. Two FFQs were administered (with a one-year interval) to measure reproducibility. To assess validity, the second FFQ was compared against dietary record (DR) covering nine days. Statistical analyses included Pearson correlations and Intraclass Correlation Coefficients (ICC). The de-attenuation of the ICC resulting from intraindividual variability was controlled. The validity analysis was complemented by comparing the classification ability of FFQ to that of DR through concordance between intake categories and Bland-Altman plots. Reproducibility: ICC values for food groups ranged 0.42-0.87; the range for energy and nutrients was between 0.34 and 0.82. ICC values for food groups ranged 0.35-0.84; the range for energy and nutrients was between 0.36 and 0.77. Most subjects (56.7-76.3%) classified in the same or adjacent quintile for energy and nutrients using both methods. Extreme misclassification was <6.3% for all items. Bland-Altman plots reveal high concordance between FFQ and DR. FFQ produced sufficient levels of reproducibility and validity to determine average daily intake over one year. These results will enable the analysis of possible associations with chronic diseases and dietary diagnoses in adult populations of men and women. Copyright AULA MEDICA EDICIONES 2013. Published by AULA MEDICA. All rights reserved.

An automated cross-correlation based event detection technique and its application to surface passive data set

USGS Publications Warehouse

Forghani-Arani, Farnoush; Behura, Jyoti; Haines, Seth S.; Batzle, Mike

2013-01-01

In studies on heavy oil, shale reservoirs, tight gas and enhanced geothermal systems, the use of surface passive seismic data to monitor induced microseismicity due to the fluid flow in the subsurface is becoming more common. However, in most studies passive seismic records contain days and months of data and manually analysing the data can be expensive and inaccurate. Moreover, in the presence of noise, detecting the arrival of weak microseismic events becomes challenging. Hence, the use of an automated, accurate and computationally fast technique for event detection in passive seismic data is essential. The conventional automatic event identification algorithm computes a running-window energy ratio of the short-term average to the long-term average of the passive seismic data for each trace. We show that for the common case of a low signal-to-noise ratio in surface passive records, the conventional method is not sufficiently effective at event identification. Here, we extend the conventional algorithm by introducing a technique that is based on the cross-correlation of the energy ratios computed by the conventional method. With our technique we can measure the similarities amongst the computed energy ratios at different traces. Our approach is successful at improving the detectability of events with a low signal-to-noise ratio that are not detectable with the conventional algorithm. Also, our algorithm has the advantage to identify if an event is common to all stations (a regional event) or to a limited number of stations (a local event). We provide examples of applying our technique to synthetic data and a field surface passive data set recorded at a geothermal site.

Improved estimation of ligand macromolecule binding affinities by linear response approach using a combination of multi-mode MD simulation and QM/MM methods

NASA Astrophysics Data System (ADS)

Khandelwal, Akash; Balaz, Stefan

2007-01-01

Structure-based predictions of binding affinities of ligands binding to proteins by coordination bonds with transition metals, covalent bonds, and bonds involving charge re-distributions are hindered by the absence of proper force fields. This shortcoming affects all methods which use force-field-based molecular simulation data on complex formation for affinity predictions. One of the most frequently used methods in this category is the Linear Response (LR) approach of Åquist, correlating binding affinities with van der Waals and electrostatic energies, as extended by Jorgensen's inclusion of solvent-accessible surface areas. All these terms represent the differences, upon binding, in the ensemble averages of pertinent quantities, obtained from molecular dynamics (MD) or Monte Carlo simulations of the complex and of single components. Here we report a modification of the LR approach by: (1) the replacement of the two energy terms through the single-point QM/MM energy of the time-averaged complex structure from an MD simulation; and (2) a rigorous consideration of multiple modes (mm) of binding. The first extension alleviates the force-field related problems, while the second extension deals with the ligands exhibiting large-scale motions in the course of an MD simulation. The second modification results in the correlation equation that is nonlinear in optimized coefficients, but does not lead to an increase in the number of optimized coefficients. The application of the resulting mm QM/MM LR approach to the inhibition of zinc-dependent gelatinase B (matrix metalloproteinase 9) by 28 hydroxamate ligands indicates a significant improvement of descriptive and predictive abilities.

Application of Multipurpose Cadastre to Evaluate Energy Security of Land Parcel (Case Study: Gedung A and Gedung B, Institut Teknologi Sumatra)

NASA Astrophysics Data System (ADS)

Alif, S. M.; Nugroho, A. P.; Leksono, B. E.

2018-03-01

Energy security has one of its dimensions: Short-term energy security which focuses on the ability of the energy system to react promptly to sudden changes within the supply-demand balance. Non-energy components (such as land parcel) that comprise an energy system are analysed comprehensively with other component to measure energy security related to energy supply. Multipurpose cadastre which is an integrated land information system containing legal, physical, and cultural is used to evaluate energy (electrical energy) security of land parcel. The fundamental component of multipurpose cadastre used to evaluate energy security is attribute data which is the value of land parcel facilities. Other fundamental components (geographic control data, base map data, cadastral data) are used as position information and provide weight in room (part of land parcel) valuation. High value-room means the room is comfortable and/or used productively by its occupant. The method of valuation is by comparing one facility to other facilities. Facilities included in room valuation are relatively static items (such as chair, desk, and cabinet) except lamps and other electronic devices. The room value and number of electronic devices which consume electrical energy are correlated with each other. Consumption of electrical energy of electronic devices in the room with average value remains constant while consumption in other room needs to be evaluated to save the energy. The result of this research shows that room value correlate weakly with number of electronic device in corresponding room. It shows excess energy consumed in low-value room. Although numbers of electronic devices do not always mean the consumption of electrical energy and there are plenty electronic devices, it is recommended for occupant to be careful in utilizing electronic devices in low-value room to minimize energy consumption.

N2 and CO Desorption Energies from Water Ice

NASA Astrophysics Data System (ADS)

Fayolle, Edith C.; Balfe, Jodi; Loomis, Ryan; Bergner, Jennifer; Graninger, Dawn; Rajappan, Mahesh; Öberg, Karin I.

2016-01-01

The relative desorption energies of CO and N2 are key to interpretations of observed interstellar CO and N2 abundance patterns, including the well-documented CO and N2H+ anti-correlations in disks, protostars, and molecular cloud cores. Based on laboratory experiments on pure CO and N2 ice desorption, the difference between CO and N2 desorption energies is small; the N2-to-CO desorption energy ratio is 0.93 ± 0.03. Interstellar ices are not pure, however, and in this study we explore the effect of water ice on the desorption energy ratio of the two molecules. We present temperature programmed desorption experiments of different coverages of 13CO and 15N2 on porous and compact amorphous water ices and, for reference, of pure ices. In all experiments, 15N2 desorption begins a few degrees before the onset of 13CO desorption. The 15N2 and 13CO energy barriers are 770 and 866 K for the pure ices, 1034-1143 K and 1155-1298 K for different submonolayer coverages on compact water ice, and 1435 and 1575 K for ˜1 ML of ice on top of porous water ice. For all equivalent experiments, the N2-to-CO desorption energy ratio is consistently 0.9. Whenever CO and N2 ice reside in similar ice environments (e.g., experience a similar degree of interaction with water ice) their desorption temperatures should thus be within a few degrees of one another. A smaller N2-to-CO desorption energy ratio may be present in interstellar and circumstellar environments if the average CO ice molecules interacts more with water ice compared to the average N2 molecules.

Quiet-Time Suprathermal ( 0.1-1.5 keV) Electrons in the Solar Wind

NASA Astrophysics Data System (ADS)

Wang, L.; Tao, J.; Zong, Q.; Li, G.; Salem, C. S.; Wimmer-Schweingruber, R. F.; He, J.; Tu, C.; Bale, S. D.

2016-12-01

We present a statistical survey of the energy spectrum of solar wind suprathermal (˜0.1-1.5 keV) electrons measured by the WIND/3DP instrument at 1 AU during quiet times at the minimum and maximum of solar cycles 23 and 24. After separating (beaming) strahl electrons from (isotropic) halo electrons according to their different behaviors in the angular distribution, we fit the observed energy spectrum of both strahl and halo electrons at ˜0.1-1.5 keV to a Kappa distribution function with an index κ and effective temperature Teff. We also calculate the number density n and average energy Eavg of strahl and halo electrons by integrating the electron measurements between ˜0.1 and 1.5 keV. We find a strong positive correlation between κ and Teff for both strahl and halo electrons, and a strong positive correlation between the strahl n and halo n, likely reflecting the nature of the generation of these suprathermal electrons. In both solar cycles, κ is larger at solar minimum than at solar maximum for both strahl and halo electrons. The halo κ is generally smaller than the strahl κ (except during the solar minimum of cycle 23). The strahl n is larger at solar maximum, but the halo n shows no difference between solar minimum and maximum. Both the strahl n and halo n have no clear association with the solar wind core population, but the density ratio between the strahl and halo roughly anti-correlates (correlates) with the solar wind density (velocity).

Quiet-time Suprathermal (~0.1-1.5 keV) Electrons in the Solar Wind

NASA Astrophysics Data System (ADS)

Tao, Jiawei; Wang, Linghua; Zong, Qiugang; Li, Gang; Salem, Chadi S.; Wimmer-Schweingruber, Robert F.; He, Jiansen; Tu, Chuanyi; Bale, Stuart D.

2016-03-01

We present a statistical survey of the energy spectrum of solar wind suprathermal (˜0.1-1.5 keV) electrons measured by the WIND 3DP instrument at 1 AU during quiet times at the minimum and maximum of solar cycles 23 and 24. After separating (beaming) strahl electrons from (isotropic) halo electrons according to their different behaviors in the angular distribution, we fit the observed energy spectrum of both strahl and halo electrons at ˜0.1-1.5 keV to a Kappa distribution function with an index κ and effective temperature Teff. We also calculate the number density n and average energy Eavg of strahl and halo electrons by integrating the electron measurements between ˜0.1 and 1.5 keV. We find a strong positive correlation between κ and Teff for both strahl and halo electrons, and a strong positive correlation between the strahl n and halo n, likely reflecting the nature of the generation of these suprathermal electrons. In both solar cycles, κ is larger at solar minimum than at solar maximum for both strahl and halo electrons. The halo κ is generally smaller than the strahl κ (except during the solar minimum of cycle 23). The strahl n is larger at solar maximum, but the halo n shows no difference between solar minimum and maximum. Both the strahl n and halo n have no clear association with the solar wind core population, but the density ratio between the strahl and halo roughly anti-correlates (correlates) with the solar wind density (velocity).

A Spalart-Allmaras local correlation-based transition model for Thermo-fuid dynamics

NASA Astrophysics Data System (ADS)

D'Alessandro, V.; Garbuglia, F.; Montelpare, S.; Zoppi, A.

2017-11-01

The study of innovative energy systems often involves complex fluid flows problems and the Computational Fluid-Dynamics (CFD) is one of the main tools of analysis. It is important to put in evidence that in several energy systems the flow field experiences the laminar-to-turbulent transition. Direct Numerical Simulations (DNS) or Large Eddy Simulation (LES) are able to predict the flow transition but they are still inapplicable to the study of real problems due to the significant computational resources requirements. Differently standard Reynolds Averaged Navier Stokes (RANS) approaches are not always reliable since they assume a fully turbulent regime. In order to overcome this drawback in the recent years some locally formulated transition RANS models have been developed. In this work, we present a local correlation-based transition approach adding two equations that control the laminar-toturbulent transition process -γ and \\[\\overset{}{\\mathop{{{\\operatorname{Re}}θ, \\text{t}}}} \\] - to the well-known Spalart-Allmaras (SA) turbulence model. The new model was implemented within OpenFOAM code. The energy equation is also implemented in order to evaluate the model performance in thermal-fluid dynamics applications. In all the considered cases a very good agreement between numerical and experimental data was observed.

Measurement of transverse energy–energy correlations in multi-jet events in pp collisions at √s = 7 TeV using the ATLAS detector and determination of the strong constant α s (m Z)

DOE PAGES

Aad, G.

2015-09-26

High transverse momentum jets produced in pp collisions at a centre of mass energy of 7 TeV are used to measure the transverse energy–energy correlation function and its associated azimuthal asymmetry. The data were recorded with the ATLAS detector at the LHC in the year 2011 and correspond to an integrated luminosity of 158 pb –1. The selection criteria demand the average transverse momentum of the two leading jets in an event to be larger than 250 GeV. The data at detector level are well described by Monte Carlo event generators. They are unfolded to the particle level and comparedmore » with theoretical calculations at next-to-leading-order accuracy. The agreement between data and theory is good and provides a precision test of perturbative Quantum Chromodynamics at large momentum transfers. The strong coupling constant given at the Z boson mass is determined to be α s(m Z)=0.1173±0.0010 (exp.) –0.0026 +0.0065 (theo.).« less

The Effect of High Energy Ball Milling on the Dynamic Response of Aluminum Powders

NASA Astrophysics Data System (ADS)

Beason, Matthew T.; Justice, Andrew W.; Gunduz, Ibrahim E.; Son, Steven F.

2017-06-01

Ball milling is an effective method to enhance the reactivity of intermetallic reactives by reducing characteristic diffusions distances. During this process, ductile reactants are mixed into a lamellar material with nanoscale features, resulting in significant strain hardening. Plate impact experiments using a single stage light gas gun have been performed to evaluate the effect of high energy ball milling (HEBM) on the mechanical properties and dynamic response of cold pressed aluminum compacts. The average grain size of the milled material is evaluate and suggested as a method of correlating the measured response to the properties of milled composites. This material is based upon work supported by the Department of Energy, National Nuclear Security Administration, under Award Number(s) DE-NA0002377, as well as individual funding (Beason) by the Department of Defense through the NDSEG.

Development of many-body polarizable force fields for Li-battery components: 1. Ether, alkane, and carbonate-based solvents.

PubMed

Borodin, Oleg; Smith, Grant D

2006-03-30

Classical many-body polarizable force fields were developed for n-alkanes, perflouroalkanes, polyethers, ketones, and linear and cyclic carbonates on the basis of quantum chemistry dimer energies of model compounds and empirical thermodynamic liquid-state properties. The dependence of the electron correlation contribution to the dimer binding energy on basis-set size and level of theory was investigated as a function of molecular separation for a number of alkane, ether, and ketone dimers. Molecular dynamics (MD) simulations of the force fields accurately predicted structural, dynamic, and transport properties of liquids and unentangled polymer melts. On average, gas-phase dimer binding energies predicted with the force field were between those from MP2/aug-cc-pvDz and MP2/aug-cc-pvTz quantum chemistry calculations.

Barriers to physical activity between adults with stroke and their care partners.

PubMed

Zalewski, Kathryn R; Dvorak, Leah

2011-10-01

Healthy living includes meeting daily physical activity guidelines. This study compares daily physical activity rates and barriers to physical activity for people with stroke and their partners (spouse or significant other). Physical abilities, energy expenditure, daily steps, and barriers to physical activity are evaluated in people who have completed stroke rehabilitation and their partners. Twenty pairs of adults (mean age 69.7 years) participated. Participants with stroke were classified as sedentary, averaging 2,990 (± 2,488) steps per day. Their partners are classified as low active, averaging 6,378 (± 2,149) steps per day. For stroke survivors, physical abilities were positively correlated to daily activity rates. The number of steps walked per day was moderately correlated to 6-minute walk tests (r = 0.550, P < .05), comfortable gait speeds (r = 0.588, P < .05), and fast gait speeds (r = 0.677, P < .01). For care partners, physical abilities were not correlated to daily physical activity. People with stroke report lack of skill as a primary barrier; their partners report lack of time. The relationship between physical ability and physical activity is reinforced with this study. The impact of stroke on the family, particularly on time demands of the primary caregiver, suggests the needs of the care partner may not be adequately addressed in the rehabilitation process.

Consistency of metabolic responses and appetite sensations under postabsorptive and postprandial conditions.

PubMed

Gonzalez, Javier T; Veasey, Rachel C; Rumbold, Penny L S; Stevenson, Emma J

2012-10-01

The present study aimed to investigate the reliability of metabolic and subjective appetite responses under fasted conditions and following consumption of a cereal-based breakfast. Twelve healthy, physically active males completed two postabsorption (PA) and two postprandial (PP) trials in a randomised order. In PP trials a cereal based breakfast providing 1859 kJ of energy was consumed. Expired gas samples were used to estimate energy expenditure and fat oxidation and 100mm visual analogue scales were used to determine appetite sensations at baseline and every 30 min for 120 min. Reliability was assessed using limits of agreement, coefficient of variation (CV), intraclass coefficient of correlation and 95% confidence limits of typical error. The limits of agreement and typical error were 292.0 and 105.5 kJ for total energy expenditure, 9.3 and 3.4 g for total fat oxidation and 22.9 and 8.3mm for time-averaged AUC for hunger sensations, respectively over the 120 min period in the PP trial. The reliability of energy expenditure and appetite in the 2h response to a cereal-based breakfast would suggest that an intervention requires a 211 kJ and 16.6mm difference in total postprandial energy expenditure and time-averaged hunger AUC to be meaningful, fat oxidation would require a 6.7 g difference which may not be sensitive to most meal manipulations. Copyright © 2012 Elsevier Ltd. All rights reserved.

Benchmarking the Bethe–Salpeter Formalism on a Standard Organic Molecular Set

PubMed Central

2015-01-01

We perform benchmark calculations of the Bethe–Salpeter vertical excitation energies for the set of 28 molecules constituting the well-known Thiel’s set, complemented by a series of small molecules representative of the dye chemistry field. We show that Bethe–Salpeter calculations based on a molecular orbital energy spectrum obtained with non-self-consistent G0W0 calculations starting from semilocal DFT functionals dramatically underestimate the transition energies. Starting from the popular PBE0 hybrid functional significantly improves the results even though this leads to an average −0.59 eV redshift compared to reference calculations for Thiel’s set. It is shown, however, that a simple self-consistent scheme at the GW level, with an update of the quasiparticle energies, not only leads to a much better agreement with reference values, but also significantly reduces the impact of the starting DFT functional. On average, the Bethe–Salpeter scheme based on self-consistent GW calculations comes close to the best time-dependent DFT calculations with the PBE0 functional with a 0.98 correlation coefficient and a 0.18 (0.25) eV mean absolute deviation compared to TD-PBE0 (theoretical best estimates) with a tendency to be red-shifted. We also observe that TD-DFT and the standard adiabatic Bethe–Salpeter implementation may differ significantly for states implying a large multiple excitation character. PMID:26207104

Comparisons of Solar Wind Coupling Parameters with Auroral Energy Deposition Rates

NASA Technical Reports Server (NTRS)

Elsen, R.; Brittnacher, M. J.; Fillingim, M. O.; Parks, G. K.; Germany G. A.; Spann, J. F., Jr.

1997-01-01

Measurement of the global rate of energy deposition in the ionosphere via auroral particle precipitation is one of the primary goals of the Polar UVI program and is an important component of the ISTP program. The instantaneous rate of energy deposition for the entire month of January 1997 has been calculated by applying models to the UVI images and is presented by Fillingim et al. In this session. A number of parameters that predict the rate of coupling of solar wind energy into the magnetosphere have been proposed in the last few decades. Some of these parameters, such as the epsilon parameter of Perrault and Akasofu, depend on the instantaneous values in the solar wind. Other parameters depend on the integrated values of solar wind parameters, especially IMF Bz, e.g. applied flux which predicts the net transfer of magnetic flux to the tail. While these parameters have often been used successfully with substorm studies, their validity in terms of global energy input has not yet been ascertained, largely because data such as that supplied by the ISTP program was lacking. We have calculated these and other energy coupling parameters for January 1997 using solar wind data provided by WIND and other solar wind monitors. The rates of energy input predicted by these parameters are compared to those measured through UVI data and correlations are sought. Whether these parameters are better at providing an instantaneous rate of energy input or an average input over some time period is addressed. We also study if either type of parameter may provide better correlations if a time delay is introduced; if so, this time delay may provide a characteristic time for energy transport in the coupled solar wind-magnetosphere-ionosphere system.

When can time-dependent currents be reproduced by the Landauer steady-state approximation?

NASA Astrophysics Data System (ADS)

Carey, Rachel; Chen, Liping; Gu, Bing; Franco, Ignacio

2017-05-01

We establish well-defined limits in which the time-dependent electronic currents across a molecular junction subject to a fluctuating environment can be quantitatively captured via the Landauer steady-state approximation. For this, we calculate the exact time-dependent non-equilibrium Green's function (TD-NEGF) current along a model two-site molecular junction, in which the site energies are subject to correlated noise, and contrast it with that obtained from the Landauer approach. The ability of the steady-state approximation to capture the TD-NEGF behavior at each instant of time is quantified via the same-time correlation function of the currents obtained from the two methods, while their global agreement is quantified by examining differences in the average currents. The Landauer steady-state approach is found to be a useful approximation when (i) the fluctuations do not disrupt the degree of delocalization of the molecular eigenstates responsible for transport and (ii) the characteristic time for charge exchange between the molecule and leads is fast with respect to the molecular correlation time. For resonant transport, when these conditions are satisfied, the Landauer approach is found to accurately describe the current, both on average and at each instant of time. For non-resonant transport, we find that while the steady-state approach fails to capture the time-dependent transport at each instant of time, it still provides a good approximation to the average currents. These criteria can be employed to adopt effective modeling strategies for transport through molecular junctions in interaction with a fluctuating environment, as is necessary to describe experiments.

Analysis of the track- and dose-averaged LET and LET spectra in proton therapy using the geant4 Monte Carlo code

PubMed Central

Guan, Fada; Peeler, Christopher; Bronk, Lawrence; Geng, Changran; Taleei, Reza; Randeniya, Sharmalee; Ge, Shuaiping; Mirkovic, Dragan; Grosshans, David; Mohan, Radhe; Titt, Uwe

2015-01-01

Purpose: The motivation of this study was to find and eliminate the cause of errors in dose-averaged linear energy transfer (LET) calculations from therapeutic protons in small targets, such as biological cell layers, calculated using the geant 4 Monte Carlo code. Furthermore, the purpose was also to provide a recommendation to select an appropriate LET quantity from geant 4 simulations to correlate with biological effectiveness of therapeutic protons. Methods: The authors developed a particle tracking step based strategy to calculate the average LET quantities (track-averaged LET, LETt and dose-averaged LET, LETd) using geant 4 for different tracking step size limits. A step size limit refers to the maximally allowable tracking step length. The authors investigated how the tracking step size limit influenced the calculated LETt and LETd of protons with six different step limits ranging from 1 to 500 μm in a water phantom irradiated by a 79.7-MeV clinical proton beam. In addition, the authors analyzed the detailed stochastic energy deposition information including fluence spectra and dose spectra of the energy-deposition-per-step of protons. As a reference, the authors also calculated the averaged LET and analyzed the LET spectra combining the Monte Carlo method and the deterministic method. Relative biological effectiveness (RBE) calculations were performed to illustrate the impact of different LET calculation methods on the RBE-weighted dose. Results: Simulation results showed that the step limit effect was small for LETt but significant for LETd. This resulted from differences in the energy-deposition-per-step between the fluence spectra and dose spectra at different depths in the phantom. Using the Monte Carlo particle tracking method in geant 4 can result in incorrect LETd calculation results in the dose plateau region for small step limits. The erroneous LETd results can be attributed to the algorithm to determine fluctuations in energy deposition along the tracking step in geant 4. The incorrect LETd values lead to substantial differences in the calculated RBE. Conclusions: When the geant 4 particle tracking method is used to calculate the average LET values within targets with a small step limit, such as smaller than 500 μm, the authors recommend the use of LETt in the dose plateau region and LETd around the Bragg peak. For a large step limit, i.e., 500 μm, LETd is recommended along the whole Bragg curve. The transition point depends on beam parameters and can be found by determining the location where the gradient of the ratio of LETd and LETt becomes positive. PMID:26520716

Optical security system for the protection of personal identification information.

PubMed

Doh, Yang-Hoi; Yoon, Jong-Soo; Choi, Kyung-Hyun; Alam, Mohammad S

2005-02-10

A new optical security system for the protection of personal identification information is proposed. First, authentication of the encrypted personal information is carried out by primary recognition of a personal identification number (PIN) with the proposed multiplexed minimum average correlation energy phase-encrypted (MMACE_p) filter. The MMACE_p filter, synthesized with phase-encrypted training images, can increase the discrimination capability and prevent the leak of personal identification information. After the PIN is recognized, speedy authentication of personal information can be achieved through one-to-one optical correlation by means of the optical wavelet filter. The possibility of information counterfeiting can be significantly decreased with the double-identification process. Simulation results demonstrate the effectiveness of the proposed technique.

Correlated Production and Analog Transport of Fission Neutrons and Photons using Fission Models FREYA, FIFRELIN and the Monte Carlo Code TRIPOLI-4® .

NASA Astrophysics Data System (ADS)

Verbeke, Jérôme M.; Petit, Odile; Chebboubi, Abdelhazize; Litaize, Olivier

2018-01-01

Fission modeling in general-purpose Monte Carlo transport codes often relies on average nuclear data provided by international evaluation libraries. As such, only average fission multiplicities are available and correlations between fission neutrons and photons are missing. Whereas uncorrelated fission physics is usually sufficient for standard reactor core and radiation shielding calculations, correlated fission secondaries are required for specialized nuclear instrumentation and detector modeling. For coincidence counting detector optimization for instance, precise simulation of fission neutrons and photons that remain correlated in time from birth to detection is essential. New developments were recently integrated into the Monte Carlo transport code TRIPOLI-4 to model fission physics more precisely, the purpose being to access event-by-event fission events from two different fission models: FREYA and FIFRELIN. TRIPOLI-4 simulations can now be performed, either by connecting via an API to the LLNL fission library including FREYA, or by reading external fission event data files produced by FIFRELIN beforehand. These new capabilities enable us to easily compare results from Monte Carlo transport calculations using the two fission models in a nuclear instrumentation application. In the first part of this paper, broad underlying principles of the two fission models are recalled. We then present experimental measurements of neutron angular correlations for 252Cf(sf) and 240Pu(sf). The correlations were measured for several neutron kinetic energy thresholds. In the latter part of the paper, simulation results are compared to experimental data. Spontaneous fissions in 252Cf and 240Pu are modeled by FREYA or FIFRELIN. Emitted neutrons and photons are subsequently transported to an array of scintillators by TRIPOLI-4 in analog mode to preserve their correlations. Angular correlations between fission neutrons obtained independently from these TRIPOLI-4 simulations, using either FREYA or FIFRELIN, are compared to experimental results. For 240Pu(sf), the measured correlations were used to tune the model parameters.

Finite-size effects on current correlation functions

NASA Astrophysics Data System (ADS)

Chen, Shunda; Zhang, Yong; Wang, Jiao; Zhao, Hong

2014-02-01

We study why the calculation of current correlation functions (CCFs) still suffers from finite-size effects even when the periodic boundary condition is taken. Two important one-dimensional, momentum-conserving systems are investigated as examples. Intriguingly, it is found that the state of a system recurs in the sense of microcanonical ensemble average, and such recurrence may result in oscillations in CCFs. Meanwhile, we find that the sound mode collisions induce an extra time decay in a current so that its correlation function decays faster (slower) in a smaller (larger) system. Based on these two unveiled mechanisms, a procedure for correctly evaluating the decay rate of a CCF is proposed, with which our analysis suggests that the global energy CCF decays as ˜t-2/3 in the diatomic hard-core gas model and in a manner close to ˜t-1/2 in the Fermi-Pasta-Ulam-β model.

Femtoscopy with identified charged pions in proton-lead collisions at s NN = 5.02 TeV with ATLAS

DOE PAGES

Aaboud, M.; Aad, G.; Abbott, B.; ...

2017-12-28

Here, Bose-Einstein correlations between identified charged pions are measured for p+Pb collisions at √ sNN = 5.02TeV using data recorded by the ATLAS detector at the CERN Large Hadron Collider corresponding to a total integrated luminosity of 28nb –1. Pions are identified using ionization energy loss measured in the pixel detector. Two-particle correlation functions and the extracted source radii are presented as a function of collision centrality as well as the average transverse momentum (k T) and rapidity (y* ππ) of the pair. Pairs are selected with a rapidity –2 < y* ππ < 1 and with an average transversemore » momentum 0.1 < k T < 0.8GeV. The effect of jet fragmentation on the two-particle correlation function is studied, and a method using opposite-charge pair data to constrain its contributions to the measured correlations is described. The measured source sizes are substantially larger in more central collisions and are observed to decrease with increasing pair k T. A correlation of the radii with the local charged-particle density is demonstrated. The scaling of the extracted radii with the mean number of participating nucleons is also used to compare a selection of initial-geometry models. The cross term Rol is measured as a function of rapidity, and a nonzero value is observed with 5.1σ combined significance for –1 < y* ππ < 1 in the most central events.« less

Relationships Between Countermovement Jump Ground Reaction Forces and Jump Height, Reactive Strength Index, and Jump Time.

PubMed

Barker, Leland A; Harry, John R; Mercer, John A

2018-01-01

Barker, LA, Harry, JR, and Mercer, JA. Relationships between countermovement jump ground reaction forces and jump height, reactive strength index, and jump time. J Strength Cond Res 32(1): 248-254, 2018-The purpose of this study was to determine the relationship between ground reaction force (GRF) variables to jump height, jump time, and the reactive strength index (RSI). Twenty-six, Division-I, male, soccer players performed 3 maximum effort countermovement jumps (CMJs) on a dual-force platform system that measured 3-dimensional kinetic data. The trial producing peak jump height was used for analysis. Vertical GRF (Fz) variables were divided into unloading, eccentric, amortization, and concentric phases and correlated with jump height, RSI (RSI = jump height/jump time), and jump time (from start to takeoff). Significant correlations were observed between jump height and RSI, concentric kinetic energy, peak power, concentric work, and concentric displacement. Significant correlations were observed between RSI and jump time, peak power, unload Fz, eccentric work, eccentric rate of force development (RFD), amortization Fz, amortization time, second Fz peak, average concentric Fz, and concentric displacement. Significant correlations were observed between jump time and unload Fz, eccentric work, eccentric RFD, amortization Fz, amortization time, average concentric Fz, and concentric work. In conclusion, jump height correlated with variables derived from the concentric phase only (work, power, and displacement), whereas Fz variables from the unloading, eccentric, amortization, and concentric phases correlated highly with RSI and jump time. These observations demonstrate the importance of countermovement Fz characteristics for time-sensitive CMJ performance measures. Researchers and practitioners should include RSI and jump time with jump height to improve their assessment of jump performance.

Applications of high-dimensional photonic entaglement

NASA Astrophysics Data System (ADS)

Broadbent, Curtis J.

This thesis presents the results of four experiments related to applications of higher dimensional photonic entanglement. (1) We use energy-time entangled biphotons from spontaneous parametric down-conversion (SPDC) to implement a large-alphabet quantum key distribution (QKD) system which securely transmits up to 10 bits of the random key per photon. An advantage over binary alphabet QKD is demonstrated for quantum channels with a single-photon transmission-rate ceiling. The security of the QKD system is based on the measurable reduction of entanglement in the presence of eavesdropping. (2) We demonstrate the preservation of energy-time entanglement in a tunable slow-light medium. The fine-structure resonances of a hot Rubidium vapor are used to slow one photon from an energy-time entangled biphoton generated with non-degenerate SPDC. The slow-light medium is placed in one arm of a Franson interferometer. The observed Franson fringes witness the presence of entanglement and quantify a delay of 1.3 biphoton correlation lengths. (3) We utilize holograms to discriminate between two spatially-coherent single-photon images. Heralded single photons are created with degenerate SPDC and sent through one of two transmission masks to make single-photon images with no spatial overlap. The single-photon images are sent through a previously prepared holographic filter. The filter discriminates the single-photon images with an average confidence level of 95%. (4) We employ polarization entangled biphotons generated from non-collinear SPDC to violate a generalized Leggett-Garg inequality with non-local weak measurements. The weak measurement is implemented with Fresnel reflection of a microscope coverslip on one member of the entangled biphoton. Projective measurement with computer-controlled polarizers on the entangled state after the weak measurement yields a joint probability with three degrees of freedom. Contextual values are then used to determine statistical averages of measurement operations from the joint probability. Correlations between the measured averages are shown to violate the upper bound of three distinct two-object Leggett-Garg inequalities derived from assumptions of macro-realism. A relationship between the violation of two-object Leggett-Garg inequalities and strange non-local weak values is derived and experimentally demonstrated.

Favre-Averaged Turbulence Statistics in Variable Density Mixing of Buoyant Jets

NASA Astrophysics Data System (ADS)

Charonko, John; Prestridge, Kathy

2014-11-01

Variable density mixing of a heavy fluid jet with lower density ambient fluid in a subsonic wind tunnel was experimentally studied using Particle Image Velocimetry and Planar Laser Induced Fluorescence to simultaneously measure velocity and density. Flows involving the mixing of fluids with large density ratios are important in a range of physical problems including atmospheric and oceanic flows, industrial processes, and inertial confinement fusion. Here we focus on buoyant jets with coflow. Results from two different Atwood numbers, 0.1 (Boussinesq limit) and 0.6 (non-Boussinesq case), reveal that buoyancy is important for most of the turbulent quantities measured. Statistical characteristics of the mixing important for modeling these flows such as the PDFs of density and density gradients, turbulent kinetic energy, Favre averaged Reynolds stress, turbulent mass flux velocity, density-specific volume correlation, and density power spectra were also examined and compared with previous direct numerical simulations. Additionally, a method for directly estimating Reynolds-averaged velocity statistics on a per-pixel basis is extended to Favre-averages, yielding improved accuracy and spatial resolution as compared to traditional post-processing of velocity and density fields.

Predictors of cerebral microembolization during phased radiofrequency ablation of atrial fibrillation: analysis of biophysical parameters from the ablation generator.

PubMed

Nagy-Balo, Edina; Kiss, Alexandra; Condie, Catherine; Stewart, Mark; Edes, Istvan; Csanadi, Zoltan

2014-06-01

Pulmonary vein isolation with phased radiofrequency current and use of a pulmonary vein ablation catheter (PVAC) has recently been associated with a high incidence of clinically silent brain infarcts on diffusion-weighted magnetic resonance imaging and a high microembolic signal (MES) count detected by transcranial Doppler. The purpose of this study was to investigate the potential correlation between different biophysical parameters of energy delivery (ED) and MES generation during PVAC ablation. MES counts during consecutive PVAC ablations were recorded for each ED and time stamped for correlation with temperature, power, and impedance data from the GENius 14.4 generator. Additionally, catheter-tissue contact was characterized by the template deviation score, calculated by comparing the temperature curve with an ideal template representing good contact, and by the respiratory contact failure score, to quantify temperature variations indicative of intermittent contact due to respiration. A total of 834 EDs during 48 PVAC ablations were analyzed. A significant increase in MES count was associated with a lower average temperature, a temperature integral over 62°C, a higher average power, the total energy delivered, higher respiration and template deviation scores (P <.0001), and simultaneous ED to the most proximal and distal poles of the PVAC (P <.0001). MES generation during ablation is related to different indicators of poor electrode-tissue contact, the total power delivered, and the interaction between the most distal and the most proximal electrodes. Copyright © 2014. Published by Elsevier Inc.

Characteristics of feed efficiency within and across lactation in dairy cows and the effect of genetic selection.

PubMed

Hurley, A M; Lopez-Villalobos, N; McParland, S; Lewis, E; Kennedy, E; O'Donovan, M; Burke, J L; Berry, D P

2018-02-01

The objective of the present study was to investigate the phenotypic inter- and intra-relationships within and among alternative feed efficiency metrics across different stages of lactation and parities; the expected effect of genetic selection for feed efficiency on the resulting phenotypic lactation profiles was also quantified. A total of 8,199 net energy intake (NE I ) test-day records from 2,505 lactations on 1,290 cows were used. Derived efficiency traits were either ratio based or residual based; the latter were derived from least squares regression models. Residual energy intake (REI) was defined as NE I minus predicted energy requirements based on lactation performance; residual energy production (REP) was defined as net energy for lactation minus predicted energy requirements based on lactation performance. Energy conversion efficiency was defined as net energy for lactation divided by NE I . Pearson phenotypic correlations among traits were computed across lactation stages and parities, and the significance of the differences was determined using the Fisher r-to-z transformation. Sources of variation in the feed efficiency metrics were investigated using linear mixed models, which included the fixed effects of contemporary group, breed, parity, stage of lactation, and the 2-way interaction of parity by stage of lactation. With the exception of REI, parity was associated with all efficiency and production traits. Stage of lactation, as well as the 2-way interaction of parity by stage of lactation, were associated with all efficiency and production traits. Phenotypic correlations among the efficiency and production traits differed not only by stage of lactation but also by parity. For example, the strong phenotypic correlation between REI and energy balance (EB; 0.89) for cows in parity 3 or greater and early lactation was weaker for parity 1 cows at the same lactation stage (0.81), suggesting primiparous cows use the ingested energy for both milk production and growth. Nonetheless, these strong phenotypic correlations between REI and EB suggested negative REI animals (i.e., more efficient) are also in more negative EB. These correlations were further supported when assessing the effect on phenotypic performance of animals genetically divergent for feed intake and efficiency based on parental average. Animals genetically selected to have lower REI resulted in cows who consumed less NE I but were also in negative EB throughout the entire lactation. Nonetheless, such repercussions of negative EB do not imply that selection for negative REI (as defined here) should not be practiced, but instead should be undertaken within the framework of a balanced breeding objective, which includes traits such as reproduction and health. Copyright © 2018 American Dairy Science Association. Published by Elsevier Inc. All rights reserved.

Health, Wealth and the Price of Oil.

PubMed

Evans, Robert G

2016-05-01

The correlation between health and wealth is arguably a very solidly established relationship. Yet that relationship may be reversing. Falling oil prices have raised (average) per capita incomes, worldwide. But from a long-run perspective they are a public health disaster. The latter is easy to see: low oil reduces the incentive to develop alternative energy sources and "bend the curve" of global warming. Their principal impact on incomes has been redistributional - Alberta and Russia lose, Ontario and Germany gain, etc. Zero net gain. But the price has fallen because technical progress in extracting American shale oil has forced the Saudis' hand. These efficiencies have real benefits for (average) incomes, but costs for long-run health. A compensating carbon tax is an obvious response. Copyright © 2016 Longwoods Publishing.

Correlations between polarisation states of W particles in the reaction e - e +→ W - W + at LEP2 energies 189-209 GeV

NASA Astrophysics Data System (ADS)

Abdallah, J.; Abreu, P.; Adam, W.; Adzic, P.; Albrecht, T.; Alemany-Fernandez, R.; Allmendinger, T.; Allport, P. P.; Amaldi, U.; Amapane, N.; Amato, S.; Anashkin, E.; Andreazza, A.; Andringa, S.; Anjos, N.; Antilogus, P.; Apel, W.-D.; Arnoud, Y.; Ask, S.; Asman, B.; Augustin, J. E.; Augustinus, A.; Baillon, P.; Ballestrero, A.; Bambade, P.; Barbier, R.; Bardin, D.; Barker, G. J.; Baroncelli, A.; Battaglia, M.; Baubillier, M.; Becks, K.-H.; Begalli, M.; Behrmann, A.; Ben-Haim, E.; Benekos, N.; Benvenuti, A.; Berat, C.; Berggren, M.; Bertrand, D.; Besancon, M.; Besson, N.; Bloch, D.; Blom, M.; Bluj, M.; Bonesini, M.; Boonekamp, M.; Booth, P. S. L.; Borisov, G.; Botner, O.; Bouquet, B.; Bowcock, T. J. V.; Boyko, I.; Bracko, M.; Brenner, R.; Brodet, E.; Bruckman, P.; Brunet, J. M.; Buschbeck, B.; Buschmann, P.; Calvi, M.; Camporesi, T.; Canale, V.; Carena, F.; Castro, N.; Cavallo, F.; Chapkin, M.; Charpentier, Ph.; Checchia, P.; Chierici, R.; Chliapnikov, P.; Chudoba, J.; Chung, S. U.; Cieslik, K.; Collins, P.; Contri, R.; Cosme, G.; Cossutti, F.; Costa, M. J.; Crennell, D.; Cuevas, J.; D'Hondt, J.; da Silva, T.; da Silva, W.; Della Ricca, G.; de Angelis, A.; de Boer, W.; de Clercq, C.; de Lotto, B.; de Maria, N.; de Min, A.; de Paula, L.; di Ciaccio, L.; di Simone, A.; Doroba, K.; Drees, J.; Eigen, G.; Ekelof, T.; Ellert, M.; Elsing, M.; Espirito Santo, M. C.; Fanourakis, G.; Fassouliotis, D.; Feindt, M.; Fernandez, J.; Ferrer, A.; Ferro, F.; Flagmeyer, U.; Foeth, H.; Fokitis, E.; Fulda-Quenzer, F.; Fuster, J.; Gandelman, M.; Garcia, C.; Gavillet, Ph.; Gazis, E.; Gokieli, R.; Golob, B.; Gomez-Ceballos, G.; Goncalves, P.; Graziani, E.; Grosdidier, G.; Grzelak, K.; Guy, J.; Haag, C.; Hallgren, A.; Hamacher, K.; Hamilton, K.; Haug, S.; Hauler, F.; Hedberg, V.; Hennecke, M.; Hoffman, J.; Holmgren, S.-O.; Holt, P. J.; Houlden, M. A.; Jackson, J. N.; Jarlskog, G.; Jarry, P.; Jeans, D.; Johansson, E. K.; Jonsson, P.; Joram, C.; Jungermann, L.; Kapusta, F.; Katsanevas, S.; Katsoufis, E.; Kernel, G.; Kersevan, B. P.; Kerzel, U.; King, B. T.; Kjaer, N. J.; Kluit, P.; Kokkinias, P.; Kourkoumelis, C.; Kouznetsov, O.; Krumstein, Z.; Kucharczyk, M.; Lamsa, J.; Leder, G.; Ledroit, F.; Leinonen, L.; Leitner, R.; Lemonne, J.; Lepeltier, V.; Lesiak, T.; Liebig, W.; Liko, D.; Lipniacka, A.; Lopes, J. H.; Lopez, J. M.; Loukas, D.; Lutz, P.; Lyons, L.; MacNaughton, J.; Malek, A.; Maltezos, S.; Mandl, F.; Marco, J.; Marco, R.; Marechal, B.; Margoni, M.; Marin, J.-C.; Mariotti, C.; Markou, A.; Martinez-Rivero, C.; Masik, J.; Mastroyiannopoulos, N.; Matorras, F.; Matteuzzi, C.; Mazzucato, F.; Mazzucato, M.; McNulty, R.; Meroni, C.; Migliore, E.; Mitaroff, W.; Mjoernmark, U.; Moa, T.; Moch, M.; Moenig, K.; Monge, R.; Montenegro, J.; Moraes, D.; Moreno, S.; Morettini, P.; Mueller, U.; Muenich, K.; Mulders, M.; Mundim, L.; Murray, W.; Muryn, B.; Myatt, G.; Myklebust, T.; Nassiakou, M.; Navarria, F.; Nawrocki, K.; Nemecek, S.; Nicolaidou, R.; Nikolenko, M.; Oblakowska-Mucha, A.; Obraztsov, V.; Olshevski, A.; Onofre, A.; Orava, R.; Osterberg, K.; Ouraou, A.; Oyanguren, A.; Paganoni, M.; Paiano, S.; Palacios, J. P.; Palka, H.; Papadopoulou, Th. D.; Pape, L.; Parkes, C.; Parodi, F.; Parzefall, U.; Passeri, A.; Passon, O.; Peralta, L.; Perepelitsa, V.; Perrotta, A.; Petrolini, A.; Piedra, J.; Pieri, L.; Pierre, F.; Pimenta, M.; Piotto, E.; Podobnik, T.; Poireau, V.; Pol, M. E.; Polok, G.; Pozdniakov, V.; Pukhaeva, N.; Pullia, A.; Radojicic, D.; Rebecchi, P.; Rehn, J.; Reid, D.; Reinhardt, R.; Renton, P.; Richard, F.; Ridky, J.; Rivero, M.; Rodriguez, D.; Romero, A.; Ronchese, P.; Roudeau, P.; Rovelli, T.; Ruhlmann-Kleider, V.; Ryabtchikov, D.; Sadovsky, A.; Salmi, L.; Salt, J.; Sander, C.; Savoy-Navarro, A.; Schwickerath, U.; Sekulin, R.; Siebel, M.; Sisakian, A.; Smadja, G.; Smirnova, O.; Sokolov, A.; Sopczak, A.; Sosnowski, R.; Spassov, T.; Stanitzki, M.; Stocchi, A.; Strauss, J.; Stugu, B.; Szczekowski, M.; Szeptycka, M.; Szumlak, T.; Tabarelli, T.; Tegenfeldt, F.; Timmermans, J.; Tkatchev, L.; Tobin, M.; Todorovova, S.; Tome, B.; Tonazzo, A.; Tortosa, P.; Travnicek, P.; Treille, D.; Tristram, G.; Trochimczuk, M.; Troncon, C.; Turluer, M.-L.; Tyapkin, I. A.; Tyapkin, P.; Tzamarias, S.; Uvarov, V.; Valenti, G.; van Dam, P.; van Eldik, J.; van Remortel, N.; van Vulpen, I.; Vegni, G.; Veloso, F.; Venus, W.; Verdier, P.; Verzi, V.; Vilanova, D.; Vitale, L.; Vrba, V.; Wahlen, H.; Washbrook, A. J.; Weiser, C.; Wicke, D.; Wickens, J.; Wilkinson, G.; Winter, M.; Witek, M.; Yushchenko, O.; Zalewska, A.; Zalewski, P.; Zavrtanik, D.; Zhuravlov, V.; Zimin, N. I.; Zintchenko, A.; Zupan, M.

2009-10-01

In a study of the reaction e - e +→ W - W + with the DELPHI detector, the probabilities of the two W particles occurring in the joint polarisation states transverse-transverse ( TT), longitudinal-transverse plus transverse-longitudinal ( LT) and longitudinal-longitudinal ( LL) have been determined using the final states WW{rightarrow}lν qbar{q} ( l= e, μ). The two-particle joint polarisation probabilities, i.e. the spin density matrix elements ρ TT , ρ LT , ρ LL , are measured as functions of the W - production angle, θ _{W-}, at an average reaction energy of 198.2 GeV. Averaged over all \\cosθ_{W-}, the following joint probabilities are obtained: bar{ρ}_{TT}=(67±8)%, bar{ρ}_{LT}=(30±8)%, bar{ρ}_{LL}=(3±7)%. These results are in agreement with the Standard Model predictions of 63.0%, 28.9% and 8.1%, respectively. The related polarisation cross-sections σ TT , σ LT and σ LL are also presented.

Average cross-responses in correlated financial markets

NASA Astrophysics Data System (ADS)

Wang, Shanshan; Schäfer, Rudi; Guhr, Thomas

2016-09-01

There are non-vanishing price responses across different stocks in correlated financial markets, reflecting non-Markovian features. We further study this issue by performing different averages, which identify active and passive cross-responses. The two average cross-responses show different characteristic dependences on the time lag. The passive cross-response exhibits a shorter response period with sizeable volatilities, while the corresponding period for the active cross-response is longer. The average cross-responses for a given stock are evaluated either with respect to the whole market or to different sectors. Using the response strength, the influences of individual stocks are identified and discussed. Moreover, the various cross-responses as well as the average cross-responses are compared with the self-responses. In contrast to the short-memory trade sign cross-correlations for each pair of stocks, the sign cross-correlations averaged over different pairs of stocks show long memory.

Forward-backward multiplicity fluctuation and longitudinal harmonics in high-energy nuclear collisions

DOE PAGES

Jia, Jiangyong; Radhakrishnan, Sooraj; Zhou, Mingliang

2016-04-18

In this paper, an analysis method is proposed to study the forward-backward (FB) multiplicity fluctuation in high-energy nuclear collisions, built on the earlier work of Bzdak and Teaney [Phys. Rev. C 87, 024906 (2013)]. The method allows the decomposition of the centrality dependence of average multiplicity from the dynamical event-by-event (EbyE) fluctuation of multiplicity in pseudorapidity. Application of the method to AMPT (A Multi-Phase Transport model) and HIJING (Heavy Ion Jet INteraction Generator) models shows that the long-range component of the FB correlation is captured by a few longitudinal harmonics, with the first component driven by the asymmetry in themore » number of participating nucleons in the two colliding nuclei. The higher-order longitudinal harmonics are found to be strongly damped in AMPT compared to HIJING, due to weaker short-range correlations as well as the final-state effects present in the AMPT model. Two-particle pseudorapidity correlation reveals interesting charge-dependent short-range structures that are absent in HIJING model. Lastly, the proposed method opens an avenue to elucidate the particle production mechanism and early time dynamics in heavy-ion collisions. Future analysis directions and prospects of using the pseudorapidity correlation function to understand the centrality bias in p + p, p + A, and A + A collisions are discussed.« less

Two-particle Bose–Einstein correlations in pp collisions at √s=0.9 and 7 TeV measured with the ATLAS detector

DOE PAGES

Aad, G.; Abbott, B.; Abdallah, J.; ...

2015-10-01

The paper presents studies of Bose–Einstein Correlations (BEC) for pairs of like-sign charged particles measured in the kinematic range pT> 100 MeV and |η|< 2.5 in proton collisions at centre-of-mass energies of 0.9 and 7 TeV with the ATLAS detector at the CERN Large Hadron Collider. The integrated luminosities are approximately 7 μb -1, 190 μb -1 and 12.4 nb -1 for 0.9 TeV, 7 TeV minimum-bias and 7 TeV high-multiplicity data samples, respectively. The multiplicity dependence of the BEC parameters characterizing the correlation strength and the correlation source size are investigated for charged-particle multiplicities of up to 240. Amore » saturation effect in the multiplicity dependence of the correlation source size parameter is observed using the high-multiplicity 7 TeV data sample. In conclusion, the dependence of the BEC parameters on the average transverse momentum of the particle pair is also investigated.« less

Two-particle Bose–Einstein correlations in pp collisions at √s=0.9 and 7 TeV measured with the ATLAS detector

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

Aad, G.; Abbott, B.; Abdallah, J.

The paper presents studies of Bose–Einstein Correlations (BEC) for pairs of like-sign charged particles measured in the kinematic range pT> 100 MeV and |η|< 2.5 in proton collisions at centre-of-mass energies of 0.9 and 7 TeV with the ATLAS detector at the CERN Large Hadron Collider. The integrated luminosities are approximately 7 μb -1, 190 μb -1 and 12.4 nb -1 for 0.9 TeV, 7 TeV minimum-bias and 7 TeV high-multiplicity data samples, respectively. The multiplicity dependence of the BEC parameters characterizing the correlation strength and the correlation source size are investigated for charged-particle multiplicities of up to 240. Amore » saturation effect in the multiplicity dependence of the correlation source size parameter is observed using the high-multiplicity 7 TeV data sample. In conclusion, the dependence of the BEC parameters on the average transverse momentum of the particle pair is also investigated.« less

The correlation of VLF propagation variations with atmospheric planetary-scale waves

NASA Technical Reports Server (NTRS)

Cavalieri, D. J.; Deland, R. J.; Potemra, T. A.; Gavin, R. F.

1973-01-01

Variations in the received daytime phase of long distance, cesium-controlled, VLF transmission were compared to the height variations of the 10-mb isobaric surface during the first three months of 1965 and 1969. The VLF phase values are also compared to height variations of constant electron densities in the E-region and to variations of f-min which have been shown to be well correlated with planetary-scale variations in the stratosphere by Deland and Cavalieri (1973). The VLF phase variations show good correlation with these previous ionospheric measurements and with the 10-mb surfaces. The planetary scale waves in the stratosphere are shown to be travelling on the average eastward in 1965 and westward in 1969. These correlations are interpreted as due to the propagation of travelling planetary scale waves with westward tilted wave fronts. Upward energy transport due to the vertical structure of those waves is also discussed. These correlations provide further evidence for the coupling between the lower ionosphere at about 70 km altitude (the daytime VLF reflection height and the stratosphere, and they demonstrate the importance of planetary wave phenomena to VLF propagation.

Numerical investigation and thermodynamic analysis of the effect of electrolyte flow rate on performance of all vanadium redox flow batteries

NASA Astrophysics Data System (ADS)

Khazaeli, Ali; Vatani, Ali; Tahouni, Nassim; Panjeshahi, Mohammad Hassan

2015-10-01

In flow batteries, electrolyte flow rate plays a crucial role on the minimizing mass transfer polarization which is at the compensation of higher pressure drop. In this work, a two-dimensional numerical method is applied to investigate the effect of electrolyte flow rate on cell voltage, maximum depth of discharge and pressure drop a six-cell stack of VRFB. The results show that during the discharge process, increasing electrolyte flow rate can raise the voltage of each cell up to 50 mV on average. Moreover, the maximum depth of discharge dramatically increases with electrolyte flow rate. On the other hand, the pressure drop also positively correlates with electrolyte flow rate. In order to investigate all these effects simultaneously, average energy and exergy efficiencies are introduced in this study for the transient process of VRFB. These efficiencies give insight into choosing an appropriate strategy for the electrolyte flow rate. Finally, the energy efficiency of electricity storage using VRFB is investigated and compared with other energy storage systems. The results illustrate that this kind of battery has at least 61% storage efficiency based on the second law of thermodynamics, which is considerably higher than that of their counterparts.

Refeeding Hypophosphatemia in Adolescents With Anorexia Nervosa

PubMed Central

Nicholls, Dasha

2013-01-01

The rate of adolescents presenting with anorexia nervosa (AN) is increasing. Medically unstable adolescents are admitted to the hospital for nutrition restoration. A lack of global consensus on appropriate refeeding practices of malnourished patients has resulted in inconsistent refeeding practices. Refeeding hypophosphatemia (RH) is the most common complication associated with refeeding the malnourished patient. This review sought to identify the range of refeeding rates adopted globally and the implication that total energy intake and malnutrition may have on RH while refeeding adolescents with anorexia nervosa. Studies were identified by a systematic electronic search of medical databases from 1980 to September 2012. Seventeen publications were identified, including 6 chart reviews, 1 observational study, and 10 case reports, with a total of 1039 subjects. The average refeeding energy intake was 1186 kcal/d, ranging from 125–1900 kcal/d, with a mean percentage median body mass index (% mBMI) of 78%. The average incidence rate of RH was 14%. A significant correlation between malnutrition (% mBMI) and post-refeeding phosphate was identified (R 2 = 0.6, P = .01). This review highlights the disparity in refeeding rates adopted internationally in treating malnourished adolescents with anorexia nervosa. Based on this review, the severity of malnutrition seems to be a marker for the development of RH more so than total energy intake. PMID:23459608

Refeeding hypophosphatemia in adolescents with anorexia nervosa: a systematic review.

PubMed

O'Connor, Graeme; Nicholls, Dasha

2013-06-01

The rate of adolescents presenting with anorexia nervosa (AN) is increasing. Medically unstable adolescents are admitted to the hospital for nutrition restoration. A lack of global consensus on appropriate refeeding practices of malnourished patients has resulted in inconsistent refeeding practices. Refeeding hypophosphatemia (RH) is the most common complication associated with refeeding the malnourished patient. This review sought to identify the range of refeeding rates adopted globally and the implication that total energy intake and malnutrition may have on RH while refeeding adolescents with anorexia nervosa. Studies were identified by a systematic electronic search of medical databases from 1980 to September 2012. Seventeen publications were identified, including 6 chart reviews, 1 observational study, and 10 case reports, with a total of 1039 subjects. The average refeeding energy intake was 1186 kcal/d, ranging from 125-1900 kcal/d, with a mean percentage median body mass index (% mBMI) of 78%. The average incidence rate of RH was 14%. A significant correlation between malnutrition (% mBMI) and post-refeeding phosphate was identified (R (2) = 0.6, P = .01). This review highlights the disparity in refeeding rates adopted internationally in treating malnourished adolescents with anorexia nervosa. Based on this review, the severity of malnutrition seems to be a marker for the development of RH more so than total energy intake.

General trends of dihedral conformational transitions in a globular protein.

PubMed

Miao, Yinglong; Baudry, Jerome; Smith, Jeremy C; McCammon, J Andrew

2016-04-01

Dihedral conformational transitions are analyzed systematically in a model globular protein, cytochrome P450cam, to examine their structural and chemical dependences through combined conventional molecular dynamics (cMD), accelerated molecular dynamics (aMD) and adaptive biasing force (ABF) simulations. The aMD simulations are performed at two acceleration levels, using dihedral and dual boost, respectively. In comparison with cMD, aMD samples protein dihedral transitions approximately two times faster on average using dihedral boost, and ∼ 3.5 times faster using dual boost. In the protein backbone, significantly higher dihedral transition rates are observed in the bend, coil, and turn flexible regions, followed by the β bridge and β sheet, and then the helices. Moreover, protein side chains of greater length exhibit higher transition rates on average in the aMD-enhanced sampling. Side chains of the same length (particularly Nχ = 2) exhibit decreasing transition rates with residues when going from hydrophobic to polar, then charged and aromatic chemical types. The reduction of dihedral transition rates is found to be correlated with increasing energy barriers as identified through ABF free energy calculations. These general trends of dihedral conformational transitions provide important insights into the hierarchical dynamics and complex free energy landscapes of functional proteins. © 2016 Wiley Periodicals, Inc.

General trends of dihedral conformational transitions in a globular protein

DOE PAGES

Miao, Yinglong; Baudry, Jerome; Smith, Jeremy C.; ...

2016-02-15

In this paper, dihedral conformational transitions are analyzed systematically in a model globular protein, cytochrome P450cam, to examine their structural and chemical dependences through combined conventional molecular dynamics (cMD), accelerated molecular dynamics (aMD) and adaptive biasing force (ABF) simulations. The aMD simulations are performed at two acceleration levels, using dihedral and dual boost, respectively. In comparison with cMD, aMD samples protein dihedral transitions approximately two times faster on average using dihedral boost, and ~3.5 times faster using dual boost. In the protein backbone, significantly higher dihedral transition rates are observed in the bend, coil, and turn flexible regions, followed bymore » the β bridge and β sheet, and then the helices. Moreover, protein side chains of greater length exhibit higher transition rates on average in the aMD-enhanced sampling. Side chains of the same length (particularly Nχ = 2) exhibit decreasing transition rates with residues when going from hydrophobic to polar, then charged and aromatic chemical types. The reduction of dihedral transition rates is found to be correlated with increasing energy barriers as identified through ABF free energy calculations. In conclusion, these general trends of dihedral conformational transitions provide important insights into the hierarchical dynamics and complex free energy landscapes of functional proteins.« less

A study to compute integrated dpa for neutron and ion irradiation environments using SRIM-2013

NASA Astrophysics Data System (ADS)

Saha, Uttiyoarnab; Devan, K.; Ganesan, S.

2018-05-01

Displacements per atom (dpa), estimated based on the standard Norgett-Robinson-Torrens (NRT) model, is used for assessing radiation damage effects in fast reactor materials. A computer code CRaD has been indigenously developed towards establishing the infrastructure to perform improved radiation damage studies in Indian fast reactors. We propose a method for computing multigroup neutron NRT dpa cross sections based on SRIM-2013 simulations. In this method, for each neutron group, the recoil or primary knock-on atom (PKA) spectrum and its average energy are first estimated with CRaD code from ENDF/B-VII.1. This average PKA energy forms the input for SRIM simulation, wherein the recoil atom is taken as the incoming ion on the target. The NRT-dpa cross section of iron computed with "Quick" Kinchin-Pease (K-P) option of SRIM-2013 is found to agree within 10% with the standard NRT-dpa values, if damage energy from SRIM simulation is used. SRIM-2013 NRT-dpa cross sections applied to estimate the integrated dpa for Fe, Cr and Ni are in good agreement with established computer codes and data. A similar study carried out for polyatomic material, SiC, shows encouraging results. In this case, it is observed that the NRT approach with average lattice displacement energy of 25 eV coupled with the damage energies from the K-P option of SRIM-2013 gives reliable displacement cross sections and integrated dpa for various reactor spectra. The source term of neutron damage can be equivalently determined in the units of dpa by simulating self-ion bombardment. This shows that the information of primary recoils obtained from CRaD can be reliably applied to estimate the integrated dpa and damage assessment studies in accelerator-based self-ion irradiation experiments of structural materials. This study would help to advance the investigation of possible correlations between the damages induced by ions and reactor neutrons.

Survey on air pollution and cardiopulmonary mortality in shiraz from 2011 to 2012: an analytical-descriptive study.

PubMed

Dehghani, Mansooreh; Anushiravani, Amir; Hashemi, Hassan; Shamsedini, Narges

2014-06-01

Expanding cities with rapid economic development has resulted in increased energy consumption leading to numerous environmental problems for their residents. The aim of this study was to investigate the correlation between air pollution and mortality rate due to cardiovascular and respiratory diseases in Shiraz. This is an analytical cross-sectional study in which the correlation between major air pollutants (including carbon monoxide [CO], sulfur dioxide [SO2], nitrogen dioxide [NO2] and particle matter with a diameter of less than 10 μ [PM10]) and climatic parameters (temperature and relative humidity) with the number of those whom expired from cardiopulmonary disease in Shiraz from March 2011 to January 2012 was investigated. Data regarding the concentration of air pollutants were determined by Shiraz Environmental Organization. Information about climatic parameters was collected from the database of Iran's Meteorological Organization. The number of those expired from cardiopulmonary disease in Shiraz were provided by the Department of Health, Shiraz University of Medical Sciences. We used non-parametric correlation test to analyze the relationship between these parameters. The results demonstrated that in all the recorded data, the average monthly pollutants standard index (PSI) values of PM10 were higher than standard limits, while the average monthly PSI value of NO2 were lower than standard. There was no significant relationship between the number of those expired from cardiopulmonary disease and the air pollutant (P > 0.05). Air pollution can aggravate chronic cardiopulmonary disease. In the current study, one of the most important air pollutants in Shiraz was the PM10 component. Mechanical processes, such as wind blowing from neighboring countries, is the most important parameter increasing PM10 in Shiraz to alarming conditions. The average monthly variation in PSI values of air pollutants such as NO2, CO, and SO2 were lower than standard limits. Moreover, there was no significant correlation between the average monthly variation in PSI of NO2, CO, PM10, and SO2 and the number of those expired from cardiopulmonary disease in Shiraz.

Elderly peoples' meals. A comparative study between elderly living in a nursing home and frail, self-managing elderly.

PubMed

Engelheart, S; Lammes, E; Akner, G

2006-01-01

Sweden is one of few countries that have specific recommendations regarding mealtime habits. The importance of mealtime habits for health outcome is inadequately studied in elderly subjects. The aim of this study was to investigate the distribution of the daily meals/energy intake; the number of eating episodes per day and subjectively estimated meal-dependent variables (appetite, motivation to eat, sense of taste and sense of smell) and compare the results of elderly living in a nursing home with frail, self-managing elderly living at home. Explorative study. All analyses of energy intake were based on food records; weighed in the nursing home and estimated in the frail, self-managing elderly. Participants or contact persons estimated the subjective variables using a 10-point VAS scale. On average there were 4-5 daily eating episodes in both groups. The eating episodes were much more widespread over the day in the self-managing elderly, and their length of fasting at night was significantly shorter. The subjects estimated appetite and sense of smell was reduced in about 30-40% in both groups. Sense of taste was reduced in 40 % of the males and 10-20 % of the females. Energy intake was similar in both groups, 25 kcal/kg body weight/day, with more than a threefold variation among individual subjects. Energy intake/kg body weight correlated with a shorter length of fasting at night in the nursing home residents, however, did not correlate with ADL, number of eating episodes per day, appetite, motivation to eat, or senses of taste or smell. The self-managing elderly had more widespread eating episodes than the elderly in the nursing home, indicating that self-managing elderly exhibit larger variations in food intake preferences, however, without affecting mean energy intake. The lack of correlation between energy intake and estimated appetite, taste and smell is in line with previous findings in elderly.

Adequacy of nutritional intake during pregnancy in relation to prepregnancy BMI: results from the 3D Cohort Study.

PubMed

Dubois, Lise; Diasparra, Maikol; Bédard, Brigitte; Colapinto, Cynthia K; Fontaine-Bisson, Bénédicte; Tremblay, Richard E; Fraser, William D

2018-06-07

Our study compares adequacy of nutritional intakes among pregnant women with different prepregnancy BMI and explores associations between nutritional intakes during pregnancy and both prepregnancy BMI and gestational weight gain (GWG). We collected dietary information from a large cohort of pregnant Canadian women (n 861) using a 3-d food record. We estimated usual dietary intakes of energy (E), macronutrients and micronutrients using the National Cancer Institute method. We also performed Pearson's correlations between nutritional intakes and both prepregnancy BMI and GWG. In all BMI categories, intakes considered suboptimal (by comparison with estimated average requirements) were noted for Fe, vitamin D, folate, vitamin B6, Mg, Zn, Ca and vitamin A. Total fat intakes were above the acceptable macronutrient distribution range (AMDR) for 36 % of the women. A higher proportion of obese women had carbohydrate intakes (as %E) below the AMDR (v. normal-weight and overweight women; 19 v. 9 %) and Na intakes above the tolerable upper intake level (v. other BMI categories; 90 v. 77-78 %). In all BMI categories, median intakes of K and fibre were below adequate intake. Intakes of several nutrients (adjusted for energy) were correlated with BMI. Correlations were detected between energy-adjusted nutrient intakes and total GWG and were, for the most part, specific to certain BMI categories. Overweight and obese pregnant women appear to be the most nutritionally vulnerable. Nutrition interventions are needed to guide pregnant women toward their optimal GWG while also meeting their nutritional requirements.

Actual evapotranspiration modeling using the operational Simplified Surface Energy Balance (SSEBop) approach

USGS Publications Warehouse

Savoca, Mark E.; Senay, Gabriel B.; Maupin, Molly A.; Kenny, Joan F.; Perry, Charles A.

2013-01-01

Remote-sensing technology and surface-energy-balance methods can provide accurate and repeatable estimates of actual evapotranspiration (ETa) when used in combination with local weather datasets over irrigated lands. Estimates of ETa may be used to provide a consistent, accurate, and efficient approach for estimating regional water withdrawals for irrigation and associated consumptive use (CU), especially in arid cropland areas that require supplemental water due to insufficient natural supplies from rainfall, soil moisture, or groundwater. ETa in these areas is considered equivalent to CU, and represents the part of applied irrigation water that is evaporated and/or transpired, and is not available for immediate reuse. A recent U.S. Geological Survey study demonstrated the application of the remote-sensing-based Simplified Surface Energy Balance (SSEB) model to estimate 10-year average ETa at 1-kilometer resolution on national and regional scales, and compared those ETa values to the U.S. Geological Survey’s National Water-Use Information Program’s 1995 county estimates of CU. The operational version of the operational SSEB (SSEBop) method is now used to construct monthly, county-level ETa maps of the conterminous United States for the years 2000, 2005, and 2010. The performance of the SSEBop was evaluated using eddy covariance flux tower datasets compiled from 2005 datasets, and the results showed a strong linear relationship in different land cover types across diverse ecosystems in the conterminous United States (correlation coefficient [r] ranging from 0.75 to 0.95). For example, r for woody savannas (0.75), grassland (0.75), forest (0.82), cropland (0.84), shrub land (0.89), and urban (0.95). A comparison of the remote-sensing SSEBop method for estimating ETa and the Hamon temperature method for estimating potential ET (ETp) also was conducted, using regressions of all available county averages of ETa for 2005 and 2010, and yielded correlations of r = 0.60 and r = 0.71, respectively. Correlations generally are stronger in the Southeast where ETa is close to ETp. SSEBop ETa provides more spatial detail and accuracy in the Southwest where irrigation is practiced in a smaller proportion of the region.

Nutritional status among postmenopausal osteoporotic women in North West of Iran.

PubMed

Hejazi, Jalal; Mohtadinia, Javad; Kolahi, Sousan; Ebrahimi-Mamaghani, Mehrangiz

2009-01-01

Osteoporosis is a multifactorial disease and one of the most important modifiable factors in the development and maintenance of bone mass is nutrition. The aim of this study was to determine the nutritional status among osteoporotic postmenopausal women in north west of Iran and compare intake of several nutrients important in terms of bone health with the standard values (DRIs). Bone mineral density of the left proximal femur, the lumbar spine and total hip were measured using dual-energy X-ray absorptiometry. Ninety-seven postmenopausal osteoporotic women were studied. A validated food frequency questionnaire was used to determine food habits and 24-h recall was used to estimate average energy and nutrient intakes. The mean t-score for bone mineral density (BMD) of LS, FN and total hip were -3.15 +/- 0.73, -1.93 +/- 0.86 and -1.92 +/- 0.88, respectively. The percentages of participants receiving adequate intake of calcium, vitamin D and vitamin K were 7.2%, 3.1% and 42.3%, respectively. The mean phosphate to calcium ratio was 1.6 +/- 0.87. BMD of femoral neck and total hip was correlated inversely with the amount of energy obtained from fat and positively with energy intake. Among micronutrients studied, calcium was positively correlated with BMD of total hip. Most of the postmenopausal osteoporotic women in north west of Iran have a considerable deficiency in terms of energy and some micronutrients such as calcium, vitamin D and magnesium, which can be deleterious for bone health.

The evolution of nutritional status of geriatric patients without cachexia is associated with food intake in sub-acute care.

PubMed

St-Arnaud McKenzie, D; Kergoat, M-J; Dube, L; Ferland, G

2009-02-01

To determine if changes in patients' nutritional status during hospitalization are related to daily energy and protein intakes when cachectic/inflammatory conditions are controlled for. Prospective study. A total of 32 non-cachectic patients (21 women; 65-92 y). Nutritional status was evaluated at admission and discharge using the Protein-Energy Malnutrition Index which includes BMI, %IBW, TS, MAC, albumin, hemoglobin and lymphocyte count. Food intake was assessed 3 meals/day every other day for an average of 46.2 +/- 14.6 meals/participant. In all, 47% of the study sample was malnourished at admission. Nutritional status improved in 73% of patients who had been identified as malnourished and in 30 % of non-malnourished patients at admission. Total energy intake correlated with improvements in BMI, %IBW and total lymphocyte count (all p < 0.04). Improvement in PEMI score for the whole group was associated with functional status (p < 0.05). Controlling for this variable, energy (kj/kg body weight) and protein (g/kg body weight) intakes correlated positively with improvements in BMI, %IBW and MAC (Energy: partial r = 0.644, 0.624, 0.466 respectively; Protein: partial r = 0.582, 0.554, 0.433 respectively; all p < 0.05). Results from this study offer strong evidence that when cachectic/inflammatory conditions are controlled for, standard nutrition care is compatible with the maintenance or improvement of nutritional status during the hospital stay.

Measurements of Daily Energy Intake and Total Energy Expenditure in People with Dementia in Care Homes: The Use of Wearable Technology.

PubMed

Murphy, J; Holmes, J; Brooks, C

2017-01-01

To estimate daily total energy expenditure (TEE) using a physical activity monitor, combined with dietary assessment of energy intake to assess the relationship between daily energy expenditure and patterns of activity with energy intake in people with dementia living in care homes. A cross-sectional study in care homes in the UK. Twenty residents with confirmed dementia diagnosis were recruited from two care homes that specialised in dementia care. A physical activity monitor (SensewearTM Armband, Body Media, Pittsburgh, PA) was employed to objectively determine total energy expenditure, sleep duration and physical activity. The armband was placed around the left upper triceps for up to 7 days. Energy intake was determined by weighing all food and drink items over 4 days (3 weekdays and 1 weekend day) including measurements of food wastage. The mean age was 78.7 (SD ± 11.8) years, Body Mass Index (BMI) 23.0 (SD ± 4.2) kg/m2; 50% were women. Energy intake (mean 7.4; SD ± 2.6) MJ/d) was correlated with TEE (mean 7.6; SD ± 1.8 MJ/d; r=0.49, p<0.05). Duration of sleeping ranged from 0.4-12.5 (mean 6.1) hrs/d and time spent lying down was 1.3-16.0 (8.3) hrs/d. On average residents spent 17.9 (6.3-23.4) hrs/d undertaking sedentary activity. TEE was correlated with BMI (r=0.52, p<0.05) and body weight (r=0.81, p<0.001) but inversely related to sleep duration (r=-0.59, p<0.01) and time lying down (r=-0.62, p<0.01). Multiple linear regression analysis revealed that after taking BMI, sleep duration and time spent lying down into account, TEE was no longer correlated with energy intake. The results show the extent to which body mass, variable activity and sleep patterns may be contributing to TEE and together with reduced energy intake, energy requirements were not satisfied. Thus wearable technology has the potential to offer real-time monitoring to provide appropriate nutrition management that is more person-centred to prevent weight loss in dementia.

Quantity, type, and correlates of physical activity among American Middle Eastern university students.

PubMed

Kahan, David

2009-09-01

The prevalence of hypokinetic disease among persons of Middle Eastern heritage is higher than whites and research on American young adults of this population is limited. Therefore 214 tertiary students of Middle Eastern descent self-reported their physical activity (PA) over a 1-week monitoring period using pedometers and daily activity logs. Daily step count averaged 9,256 (SD = 3,084) steps, while daily energy expenditure averaged 6.26 kcal/kg (SD = 4.92). Most participants reported no weekly engagement in sport (69.2%) and walk/run (52.8%) activities, and at least once-weekly engagement in conditioning (68.7%) activities. Moderately religious and highly acculturated men, and Muslims, and moderately/highly acculturated persons were more likely to average > or = 10,000 steps/day and engage in at least one sport activity per week, respectively. These findings may be related to religious and cultural issues unique to Middle Eastern American college students whose collectivist social affiliations with family and community members may facilitate or inhibit various aspects of PA behavior.

On moments of the multiplicity events of slow target fragments in relativistic Sulfur-ion collisions

NASA Astrophysics Data System (ADS)

Abdelsalam, A.; Kamel, S.; Rashed, N.; Sabry, N.

2014-07-01

A detailed study on the multiplicity characteristics of the slow target fragments emitted in relativistic heavy-ion collisions has been carried out at ELab = 3.7A and 200A GeV using 32S projectile. The beam energy dependence of the black particles produced in the full phase space of 32S-emulsion (32S-Em) interactions on the target size in terms of their moments (mean, variance, skewness and kurtosis) is investigated. The various order moments of target fragments emitted in the interactions of 32S beams with the heavy (AgBr) target nuclei are estimated in the forward (FHS) and backward (BHS) hemispheres. The investigated values of ratio of variance to mean at both energies show that the multiplicity distributions (MDs) are not Poissonian and the strongly correlated emission of target fragments are in the forward directions. The degree of anisotropic fragment emission and nature of correlation among the emitted fragments are investigated. The energy dependence of entropy is examined in both hemispheres. The entropy values normalized to average multiplicity are found to be energy independent. Scaling of MD of black particles produced in these interactions has been studied to verify the validity of scaling hypothesis via two scaling (Koba-Nielsen-Olesen (KNO)-scaling and Hegyi-scaling) functions. A simplified universal function has been used in each scaling to display the experimental data.

A preliminary evaluation of myoelectrical energy distribution of the front neck muscles in pharyngeal phase during normal swallowing.

PubMed

Mingxing Zhu; Wanzhang Yang; Samuel, Oluwarotimi Williams; Yun Xiang; Jianping Huang; Haiqing Zou; Guanglin Li

2016-08-01

Pharyngeal phase is a central hub of swallowing in which food bolus pass through from the oral cavity to the esophageal. Proper understanding of the muscular activities in the pharyngeal phase is useful for assessing swallowing function and the occurrence of dysphagia in humans. In this study, high-density (HD) surface electromyography (sEMG) was used to study the muscular activities in the pharyngeal phase during swallowing tasks involving three healthy male subjects. The root mean square (RMS) of the HD sEMG data was computed by using a series of segmented windows as myoelectrical energy. And the RMS of each window covering all channels (16×5) formed a matrix. During the pharyngeal phase of swallowing, three of the matrixes were chosen and normalized to obtain the HD energy maps and the statistical parameter. The maps across different viscosity levels offered the energy distribution which showed the muscular activities of the left and right sides of the front neck muscles. In addition, the normalized average RMS (NARE) across different viscosity levels revealed a left-right significant correlation (r=0.868±0.629, p<;0.01) quantitatively, while it showed even stronger correlation when swallowing water. This pilot study suggests that HD sEMG would be a potential tool to evaluate muscular activities in pharyngeal phase during normal swallowing. Also, it might provide useful information for dysphagia diagnosis.

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

Ding, Huanjun; Cho, Hyo-Min; Molloi, Sabee, E-mail: symolloi@uci.edu

Purpose: To investigate the feasibility of characterizing a Si strip photon-counting detector using x-ray fluorescence. Methods: X-ray fluorescence was generated by using a pencil beam from a tungsten anode x-ray tube with 2 mm Al filtration. Spectra were acquired at 90° from the primary beam direction with an energy-resolved photon-counting detector based on an edge illuminated Si strip detector. The distances from the source to target and the target to detector were approximately 19 and 11 cm, respectively. Four different materials, containing silver (Ag), iodine (I), barium (Ba), and gadolinium (Gd), were placed in small plastic containers with a diametermore » of approximately 0.7 cm for x-ray fluorescence measurements. Linear regression analysis was performed to derive the gain and offset values for the correlation between the measured fluorescence peak center and the known fluorescence energies. The energy resolutions and charge-sharing fractions were also obtained from analytical fittings of the recorded fluorescence spectra. An analytical model, which employed four parameters that can be determined from the fluorescence calibration, was used to estimate the detector response function. Results: Strong fluorescence signals of all four target materials were recorded with the investigated geometry for the Si strip detector. The average gain and offset of all pixels for detector energy calibration were determined to be 6.95 mV/keV and −66.33 mV, respectively. The detector’s energy resolution remained at approximately 2.7 keV for low energies, and increased slightly at 45 keV. The average charge-sharing fraction was estimated to be 36% within the investigated energy range of 20–45 keV. The simulated detector output based on the proposed response function agreed well with the experimental measurement. Conclusions: The performance of a spectral imaging system using energy-resolved photon-counting detectors is very dependent on the energy calibration of the detector. The proposed x-ray fluorescence technique offers an accurate and efficient way to calibrate the energy response of a photon-counting detector.« less

[Variation pattern and its affecting factors of three-dimensional landscape in urban residential community of Shenyang].

PubMed

Zhang, Pei-Feng; Hu, Yuan-Man; Xiong, Zai-Ping; Liu, Miao

2011-02-01

Based on the 1:10000 aerial photo in 1997 and the three QuickBird images in 2002, 2005, and 2008, and by using Barista software and GIS and RS techniques, the three-dimensional information of the residential community in Tiexi District of Shenyang was extracted, and the variation pattern of the three-dimensional landscape in the district during its reconstruction in 1997-2008 and related affecting factors were analyzed with the indices, ie. road density, greening rate, average building height, building height standard deviation, building coverage rate, floor area rate, building shape coefficient, population density, and per capita GDP. The results showed that in 1997-2008, the building area for industry decreased, that for commerce and other public affairs increased, and the area for residents, education, and medical cares basically remained stable. The building number, building coverage rate, and building shape coefficient decreased, while the floor area rate, average building height, height standard deviation, road density, and greening rate increased. Within the limited space of residential community, the containing capacity of population and economic activity increased, and the environment quality also improved to some extent. The variation degree of average building height increased, but the building energy consumption decreased. Population growth and economic development had positive correlations with floor area rate, road density, and greening rate, but negative correlation with building coverage rate.

HEAO 1 high-energy X-ray observations of Centaurus X-3

NASA Technical Reports Server (NTRS)

Howe, S. K.; Primini, F. A.; Bautz, M. W.; Lang, F. L.; Levine, A. M.; Lewin, W. H. G.

1983-01-01

Pulsations of 4.8 sec were detected up to energies above 38 keV by the present High Energy X-ray and Low Energy Gamma-Ray HEAO 1 satellite experiment observations of Cen X-3, and an analysis of the X-ray spectrum as a function of pulse phase indicates that the spectrum hardens during an interval of about 1.2 sec which lags the pulse peak by about 0.6 sec. The results of correlated observations of pulse period and X-ray intensity include (1) the detection of a high intensity state during which the pulse period is on the average increasing, (2) the measurement of comparable high intensities during episodes of both period increase and decrease, (3) the detection of X-ray pulsations at a much reduced level during a period of low intensity, and (4) the detection of a transition between spin-down, and spin-up episodes that coincides with a rapid decrease in X-ray intensity.

2.36 J, 50 Hz nanosecond pulses from a diode side-pumped Nd:YAG MOPA system

NASA Astrophysics Data System (ADS)

Li, Chaoyang; Lu, Chengqiang; Li, Chuan; Yang, Ning; Li, Ye; Yang, Zhen; Han, Song; Shi, Junfeng; Zhou, Zewu

2017-07-01

We report on a high-energy high-repetition-rate nanosecond Nd:YAG main oscillator power amplifier (MOPA) system. Maximum output pulse energy of 2.36 J with duration of 9.4 ns at 50 Hz has been achieved. The master oscillator was a LD side-pumped electro-optical Q-switched Nd:YAG rod laser adopting unstable cavity with variable reflectivity mirror (VRM). It delivered a pulse train with energy up to 180 mJ and pulse duration of 10.7 ns. The near-field pattern demonstrated a nearly super Gaussian flat top profile. In the amplification stage, the pulse was boosted via double-pass two Nd:YAG rod amplifiers. Maximum pulse energy was obtained at the peak pump power of 37.5 kW, corresponding to an optical-optical conversion efficiency of 25.2%. The correlative peak power was deduced to be 251 MW. We also presented the result of 100 Hz nanosecond laser with average output power of >100 W.

Change in the high-energy radiation from the Crab

NASA Technical Reports Server (NTRS)

Greisen, K.; Ball, S. E., Jr.; Campbell, M.; Gilman, D.; Strickman, M.; Mcbreen, B.; Koch, D.

1975-01-01

On 1973 July 23, the Cornell gamma-ray telescope had a second exposure to the Crab Nebula and pulsar via balloon flight from Palestine, Texas. On the previous flight, 1971 October 6, the signal from the pulsar had been unmistakably clear, especially at the highest energies (above 800 MeV), and an unpulsed component of similar average power had also been discernible. On the second flight, despite higher altitude, longer exposure, and improved electronics, the pulsed signal was barely detectable and the dc component not observable at all. The drop in intensity seems to increase with energy, being only a factor of 2 at 200 MeV but an order of magnitude at 1 GeV. There is some indication (not compelling) that the gamma-ray flux may have changed even within the 6-hour exposure. The first flight may have viewed the Crab in a state of enhanced high-energy emission correlated with the glitches that occurred on 1971 August 1 and October 25.

Evaluation of magnesium intake and its relation with bone quality in healthy young Korean women.

PubMed

Kim, Mi-Hyun; Yeon, Jee-Young; Choi, Mi-Kyeong; Bae, Yun Jung

2011-12-01

Many studies have reported magnesium's role in nutrition as a vital factor involved in bone health. However, not enough studies have evaluated magnesium (Mg) intakes in young women. In this study, we evaluated Mg intake in healthy adults and its relation with bone quality. A total of 484 healthy young women in their early 20s were enrolled into the study. Anthropometric measurements, dietary intake survey using 3-day dietary records, and the bone quality of the calcaneus using quantitative ultrasounds were obtained and analyzed. Average age, height, and weight of the subjects were respectively 20.20 years, 161.37 cm, and 54.09 kg, respectively. Also, the average broadband ultrasound attenuation, speed of sound (SOS), stiffness index (SI), and calcaneus T scores were 114.32 dB/MHz, 1,568.45 m/s, 95.23, and 0.36 g/cm(2), respectively. The subject's average intake of energy was 1,543.19 kcal, and the average Mg intake was 185.87 mg/day. Mg intake per 1,000 kcal of consumed energy in our subjects was 119.85 mg. Subjects consumed 63.11% of the recommended intake for Mg. Food groups consumed with high Mg content in our subjects included cereals (38.62 mg), vegetables (36.97 mg), milk (16.82 mg), legumes (16.72 mg), and fish (16.50 mg). The level of Mg intake per 1,000 kcal showed significant correlation to the SOS in the calcaneus (r = 0.110, p < 0.05) after adjustment for age, BMI, and percent body fat. In addition, the intakes of Mg from potatoes (p < 0.001), legumes (p < 0.05), and fungi and mushrooms (p < 0.05) positively correlated with the SOS of the calcaneus. In conclusion, the magnesium intake status of young Korean women aged 19-25 years is unsatisfactory. Improving dietary intake of Mg may positively impact bone quality in this population.

QUIET-TIME SUPRATHERMAL (∼0.1–1.5 keV) ELECTRONS IN THE SOLAR WIND

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

Tao, Jiawei; Wang, Linghua; Zong, Qiugang

2016-03-20

We present a statistical survey of the energy spectrum of solar wind suprathermal (∼0.1–1.5 keV) electrons measured by the WIND 3DP instrument at 1 AU during quiet times at the minimum and maximum of solar cycles 23 and 24. After separating (beaming) strahl electrons from (isotropic) halo electrons according to their different behaviors in the angular distribution, we fit the observed energy spectrum of both strahl and halo electrons at ∼0.1–1.5 keV to a Kappa distribution function with an index κ and effective temperature T{sub eff}. We also calculate the number density n and average energy E{sub avg} of strahl andmore » halo electrons by integrating the electron measurements between ∼0.1 and 1.5 keV. We find a strong positive correlation between κ and T{sub eff} for both strahl and halo electrons, and a strong positive correlation between the strahl n and halo n, likely reflecting the nature of the generation of these suprathermal electrons. In both solar cycles, κ is larger at solar minimum than at solar maximum for both strahl and halo electrons. The halo κ is generally smaller than the strahl κ (except during the solar minimum of cycle 23). The strahl n is larger at solar maximum, but the halo n shows no difference between solar minimum and maximum. Both the strahl n and halo n have no clear association with the solar wind core population, but the density ratio between the strahl and halo roughly anti-correlates (correlates) with the solar wind density (velocity)« less

Probing transverse momentum broadening via jet-related angular correlations in relativistic nuclear collisions

NASA Astrophysics Data System (ADS)

Chen, Lin; Qin, Guang-You; Wei, Shu-Yi; Xiao, Bo-Wen; Zhang, Han-Zhong

2017-11-01

Jet-related correlations have been regarded as important tools for studying jet-medium interaction and jet quenching in relativistic heavy-ion collisions at RHIC and the LHC. Here we present our recent work [L. Chen, G.-Y. Qin, S.-Y. Wei, B.-W. Xiao, H.-Z. Zhang, Probing Transverse Momentum Broadening via Dihadron and Hadron-jet Angular Correlations in Relativistic Heavy-ion Collisions, arxiv:arXiv:1607.01932] and show that the back-to-back angular correlations in dijet, dihadron and hadron-jet measurements can be utilized as a quantitative tool to probe the medium-induced transverse momentum broadening and to extract jet quenching parameter q̂. By comparing with the dihadron and hadron-jet angular correlation data at RHIC, we obtain the medium-induced transverse momentum broadening, averaged over different jet paths, 〈 p⊥2 〉 ∼ 13 GeV2 for a quark jet in most central Au-Au collisions at 200A GeV. Future experiments with statistically improved data on jet-related (angular) correlations will allow us to obtain more precise knowledge of jet quenching parameter and parton-medium interaction in high-energy nuclear collisions.

North Polar Radiative Flux Variability from 2002 Through 2014

NASA Technical Reports Server (NTRS)

Rutan, David; Rose, Fred; Doelling, David; Kato, Seiji; Smith, Bill, Jr.

2017-01-01

NASA's Clouds and the Earth's Radiant Energy System (CERES) project produces the SYN1Deg data product. SYN1deg provides global, 1deg gridded, hourly estimates of Top of Atmosphere (TOA) (CERES observations and calculations) and atmospheric and surface radiative flux (calculations). Examples of 12 year North Polar averages of some variables are shown to the right. Given recent interest in polar science we focus here on TOA and Surface validation of calculated irradiant fluxes. TOA upward longwave irradiance calculations match the CERES observations well both spatially and temporally with correlations remaining strong through PC 6. Compare SYN1Deg Calculations & Meteorological Teleconnections. TOA reflected shortwave irradiance calculations match the CERES observations well both spatially and temporally with correlations remaining string through PC 7. Comparing SYN1Deg calculations to teleconnection patterns requires expanding the area to 30N for EOF analyses. Correlating the Principal Components of various variables to teleconnection time series indicates which variable is most highly correlated with which teleconnection signal. The tables indicate the Pacific North American Oscillation is most correlated to the OLR EOF 1, and the North American Oscillation is correlated most closely to surface LW flux down EOF 1.

Structural and spectroscopic study of mechanically synthesized SnO{sub 2} nanostructures

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

Vij, Ankush, E-mail: vij-anx@yahoo.com; Kumar, Ravi; Presently at Beant College of Engineering and Technology, Gurdaspur-143521

2016-05-23

We report the single step synthesis of SnO{sub 2} nanostructures using high energy mechanical attrition method. X-ray diffraction (XRD) pattern reveals the single phase rutile structure with appreciable broadening of diffraction peaks, which is a signature of nanostructure formation. The average crystallite size of SnO{sub 2} nanostructures has been calculated to be ~15 nm. The micro-Raman study reveals the shifting of A{sub 1g} Raman mode towards lower wave number, which is correlated with the nanostructure formation.

Simultaneous analytical optimization of variational parameters in Gaussian-type functions with full configuration interaction of multicomponent molecular orbital method by elimination of translational and rotational motions: application to isotopomers of the hydrogen molecule.

PubMed

Ishimoto, Takayoshi; Tachikawa, Masanori; Nagashima, Umpei

2008-04-28

We have extended the multicomponent molecular orbital (MCMO) method to the full-configuration interaction (full-CI) fully variational molecular orbital method by elimination of translational and rotational motion components from total Hamiltonian. In the MCMO scheme, the quantum effects of protons and deuterons as well as electrons can be directly taken into account. All variational parameters in the full-CI scheme, i.e., exponents and centers (alpha and R) in the Gaussian-type function (GTF) basis set as well as the CI coefficients, are simultaneously optimized by using their analytical gradients. The total energy of the H(2) molecule calculated using the electronic [6s3p2d1f] and nuclear [1s1p1d1f] GTFs is -1.161 726 hartree, which can be compared to the energy of -1.164 025 hartree reported using a 512 term-explicitly correlated GTF calculation. Although the d- and f-type nuclear GTFs contribute to the improvement of energy convergence, the convergence of electron-nucleus correlation energy is slower than that of electron-electron one. The nuclear wave functions are delocalized due to the electron-nucleus correlation effect compared to the result of Hartree-Fock level of MCMO method. In addition, the average internuclear distances of all diatomic molecules are within 0.001 A of the previously reported experimental results. The dipole moment of the HD molecule estimated by our method is 8.4 x 10(-4) D, which is in excellent agreement with the experimental result of (8-10) x 10(-4) D.

Scaling of Brain Metabolism with a Fixed Energy Budget per Neuron: Implications for Neuronal Activity, Plasticity and Evolution

PubMed Central

Herculano-Houzel, Suzana

2011-01-01

It is usually considered that larger brains have larger neurons, which consume more energy individually, and are therefore accompanied by a larger number of glial cells per neuron. These notions, however, have never been tested. Based on glucose and oxygen metabolic rates in awake animals and their recently determined numbers of neurons, here I show that, contrary to the expected, the estimated glucose use per neuron is remarkably constant, varying only by 40% across the six species of rodents and primates (including humans). The estimated average glucose use per neuron does not correlate with neuronal density in any structure. This suggests that the energy budget of the whole brain per neuron is fixed across species and brain sizes, such that total glucose use by the brain as a whole, by the cerebral cortex and also by the cerebellum alone are linear functions of the number of neurons in the structures across the species (although the average glucose consumption per neuron is at least 10× higher in the cerebral cortex than in the cerebellum). These results indicate that the apparently remarkable use in humans of 20% of the whole body energy budget by a brain that represents only 2% of body mass is explained simply by its large number of neurons. Because synaptic activity is considered the major determinant of metabolic cost, a conserved energy budget per neuron has several profound implications for synaptic homeostasis and the regulation of firing rates, synaptic plasticity, brain imaging, pathologies, and for brain scaling in evolution. PMID:21390261

Scaling of brain metabolism with a fixed energy budget per neuron: implications for neuronal activity, plasticity and evolution.

PubMed

Herculano-Houzel, Suzana

2011-03-01

It is usually considered that larger brains have larger neurons, which consume more energy individually, and are therefore accompanied by a larger number of glial cells per neuron. These notions, however, have never been tested. Based on glucose and oxygen metabolic rates in awake animals and their recently determined numbers of neurons, here I show that, contrary to the expected, the estimated glucose use per neuron is remarkably constant, varying only by 40% across the six species of rodents and primates (including humans). The estimated average glucose use per neuron does not correlate with neuronal density in any structure. This suggests that the energy budget of the whole brain per neuron is fixed across species and brain sizes, such that total glucose use by the brain as a whole, by the cerebral cortex and also by the cerebellum alone are linear functions of the number of neurons in the structures across the species (although the average glucose consumption per neuron is at least 10× higher in the cerebral cortex than in the cerebellum). These results indicate that the apparently remarkable use in humans of 20% of the whole body energy budget by a brain that represents only 2% of body mass is explained simply by its large number of neurons. Because synaptic activity is considered the major determinant of metabolic cost, a conserved energy budget per neuron has several profound implications for synaptic homeostasis and the regulation of firing rates, synaptic plasticity, brain imaging, pathologies, and for brain scaling in evolution.

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.

Efficient live face detection to counter spoof attack in face recognition systems

NASA Astrophysics Data System (ADS)

Biswas, Bikram Kumar; Alam, Mohammad S.

2015-03-01

Face recognition is a critical tool used in almost all major biometrics based security systems. But recognition, authentication and liveness detection of the face of an actual user is a major challenge because an imposter or a non-live face of the actual user can be used to spoof the security system. In this research, a robust technique is proposed which detects liveness of faces in order to counter spoof attacks. The proposed technique uses a three-dimensional (3D) fast Fourier transform to compare spectral energies of a live face and a fake face in a mathematically selective manner. The mathematical model involves evaluation of energies of selective high frequency bands of average power spectra of both live and non-live faces. It also carries out proper recognition and authentication of the face of the actual user using the fringe-adjusted joint transform correlation technique, which has been found to yield the highest correlation output for a match. Experimental tests show that the proposed technique yields excellent results for identifying live faces.

Energetic differences between bacterioplankton trophic groups and coral reef resistance

PubMed Central

McDole Somera, Tracey; Bailey, Barbara; Barott, Katie; Grasis, Juris; Hatay, Mark; Hilton, Brett J.; Hisakawa, Nao; Nosrat, Bahador; Nulton, James; Silveira, Cynthia B.; Sullivan, Chris; Brainard, Russell E.; Rohwer, Forest

2016-01-01

Coral reefs are among the most productive and diverse marine ecosystems on the Earth. They are also particularly sensitive to changing energetic requirements by different trophic levels. Microbialization specifically refers to the increase in the energetic metabolic demands of microbes relative to macrobes and is significantly correlated with increasing human influence on coral reefs. In this study, metabolic theory of ecology is used to quantify the relative contributions of two broad bacterioplankton groups, autotrophs and heterotrophs, to energy flux on 27 Pacific coral reef ecosystems experiencing human impact to varying degrees. The effective activation energy required for photosynthesis is lower than the average energy of activation for the biochemical reactions of the Krebs cycle, and changes in the proportional abundance of these two groups can greatly affect rates of energy and materials cycling. We show that reef-water communities with a higher proportional abundance of microbial autotrophs expend more metabolic energy per gram of microbial biomass. Increased energy and materials flux through fast energy channels (i.e. water-column associated microbial autotrophs) may dampen the detrimental effects of increased heterotrophic loads (e.g. coral disease) on coral reef systems experiencing anthropogenic disturbance. PMID:27097927

Energetic differences between bacterioplankton trophic groups and coral reef resistance.

PubMed

McDole Somera, Tracey; Bailey, Barbara; Barott, Katie; Grasis, Juris; Hatay, Mark; Hilton, Brett J; Hisakawa, Nao; Nosrat, Bahador; Nulton, James; Silveira, Cynthia B; Sullivan, Chris; Brainard, Russell E; Rohwer, Forest

2016-04-27

Coral reefs are among the most productive and diverse marine ecosystems on the Earth. They are also particularly sensitive to changing energetic requirements by different trophic levels. Microbialization specifically refers to the increase in the energetic metabolic demands of microbes relative to macrobes and is significantly correlated with increasing human influence on coral reefs. In this study, metabolic theory of ecology is used to quantify the relative contributions of two broad bacterioplankton groups, autotrophs and heterotrophs, to energy flux on 27 Pacific coral reef ecosystems experiencing human impact to varying degrees. The effective activation energy required for photosynthesis is lower than the average energy of activation for the biochemical reactions of the Krebs cycle, and changes in the proportional abundance of these two groups can greatly affect rates of energy and materials cycling. We show that reef-water communities with a higher proportional abundance of microbial autotrophs expend more metabolic energy per gram of microbial biomass. Increased energy and materials flux through fast energy channels (i.e. water-column associated microbial autotrophs) may dampen the detrimental effects of increased heterotrophic loads (e.g. coral disease) on coral reef systems experiencing anthropogenic disturbance. © 2016 The Author(s).

Ground and excited state dissociation dynamics of ionized 1,1-difluoroethene.

PubMed

Gridelet, E; Dehareng, D; Locht, R; Lorquet, A J; Lorquet, J C; Leyh, B

2005-09-22

The kinetic energy release distributions (KERDs) for the fluorine atom loss from the 1,1-difluoroethene cation have been recorded with two spectrometers in two different energy ranges. A first experiment uses dissociative photoionization with the He(I) and Ne(I) resonance lines, providing the ions with a broad internal energy range, up to 7 eV above the dissociation threshold. The second experiment samples the metastable range, and the average ion internal energy is limited to about 0.2 eV above the threshold. In both energy domains, KERDs are found to be bimodal. Each component has been analyzed by the maximum entropy method. The narrow, low kinetic energy components display for both experiments the characteristics of a statistical, simple bond cleavage reaction: constraint equal to the square root of the fragment kinetic energy and ergodicity index higher than 90%. Furthermore, this component is satisfactorily accounted for in the metastable time scale by the orbiting transition state theory. Potential energy surfaces corresponding to the five lowest electronic states of the dissociating 1,1-C2H2F2+ ion have been investigated by ab initio calculations at various levels. The equilibrium geometry of these states, their dissociation energies, and their vibrational wavenumbers have been calculated, and a few conical intersections between these surfaces have been identified. It comes out that the ionic ground state X2B1 is adiabatically correlated with the lowest dissociation asymptote. Its potential energy curve increases in a monotonic way along the reaction coordinate, giving rise to the narrow KERD component. Two states embedded in the third photoelectron band (B2A1 at 15.95 eV and C2B2 at 16.17 eV) also correlate with the lowest asymptote at 14.24 eV. We suggest that their repulsive behavior along the reaction coordinate be responsible for the KERD high kinetic energy contribution.

Comparison of a web-based food record tool and a food-frequency questionnaire and objective validation using the doubly labelled water technique in a Swedish middle-aged population.

PubMed

Nybacka, Sanna; Bertéus Forslund, Heléne; Wirfält, Elisabet; Larsson, Ingrid; Ericson, Ulrika; Warensjö Lemming, Eva; Bergström, Göran; Hedblad, Bo; Winkvist, Anna; Lindroos, Anna Karin

2016-01-01

Two web-based dietary assessment tools have been developed for use in large-scale studies: the Riksmaten method (4-d food record) and MiniMeal-Q (food-frequency method). The aim of the present study was to examine the ability of these methods to capture energy intake against objectively measured total energy expenditure (TEE) with the doubly labelled water technique (TEE DLW ), and to compare reported energy and macronutrient intake. This study was conducted within the pilot study of the Swedish CArdioPulmonary bioImage Study (SCAPIS), which included 1111 randomly selected men and women aged 50-64 years from the Gothenburg general population. Of these, 200 were enrolled in the SCAPIS diet substudy. TEE DLW was measured in a subsample ( n 40). Compared with TEE DLW , both methods underestimated energy intake: -2·5 (sd  2·9) MJ with the Riksmaten method; -2·3 (sd 3·6) MJ with MiniMeal-Q. Mean reporting accuracy was 80 and 82 %, respectively. The correlation between reported energy intake and TEE DLW was r 0·4 for the Riksmaten method ( P  < 0·05) and r 0·28 (non-significant) for MiniMeal-Q. Women reported similar average intake of energy and macronutrients in both methods whereas men reported higher intakes with the Riksmaten method. Energy-adjusted correlations ranged from 0·14 (polyunsaturated fat) to 0·77 (alcohol). Bland-Altman plots showed acceptable agreement for energy and energy-adjusted protein and carbohydrate intake, whereas the agreement for fat intake was poorer. According to energy intake data, both methods displayed similar precision on energy intake reporting. However, MiniMeal-Q was less successful in ranking individuals than the Riksmaten method. The development of methods to achieve limited under-reporting is a major challenge for future research.

Assessment of physical activity, energy expenditure and energy intakes of young men practicing aerobic sports.

PubMed

Wierniuk, Alicja; Włodarek, Dariusz

2014-01-01

Adequate nutrition and energy intake play key rule during the training period and recovery time. The assessment of athlete's energetic needs should be calculated individually, based on personal energy expenditure and Sense Wear PRO3 Armband (SWA) mobile monitor is a useful tool to achieve this goal. However, there is still few studies conducted with use of this monitor. To assess individual energy needs of athletes by use of SWA and to determine whether their energy intake fulfils the body's energy expenditure. Subjects were 15 male students attending Military University of Technology in Warsaw, aged 19-24 years, practicing aerobic. The average body mass was 80.7 ± 7.7 kg and average height was 186.9 ± 5.2 cm, (BMI 23.09 ± 1.85 kg/m2). Assessment of physical activity and energy expenditure (TEE) was established using SWA, which was placed on the back side of dominant hand and worn continuously for 48 hours (during the training and non-training day). The presented results are the average values of these 2 days. Assessment of athletes' physical activity level was established by use of metabolic equivalent of task (MET) and number of steps (NS). Estimation of energy intake was based on three-day dietary recalls (two weekdays and one day of the weekend), evaluated using the Polish Software 'Energia' package. The average TEE of examined athletes was 3877 ± 508 kcal/day and almost half of this energy was spend on physical activity (1898 ± 634 kcal/day). The number of steps was on average 19498 ± 5407 and average MET was 2.05 ± 2.09. The average daily energy intake was 2727 ± 576 kcal. Athletes consumed inadequate amount of energy in comparison to their energy expenditure. Examined group did not have an adequate knowledge about their energy requirement, which shows the need of nutritional consulting and education among these athletes. athletes, aerobic sports, energy expenditure, energy intake.

Energy Finite Element Analysis for Computing the High Frequency Vibration of the Aluminum Testbed Cylinder and Correlating the Results to Test Data

NASA Technical Reports Server (NTRS)

Vlahopoulos, Nickolas

2005-01-01

The Energy Finite Element Analysis (EFEA) is a finite element based computational method for high frequency vibration and acoustic analysis. The EFEA solves with finite elements governing differential equations for energy variables. These equations are developed from wave equations. Recently, an EFEA method for computing high frequency vibration of structures either in vacuum or in contact with a dense fluid has been presented. The presence of fluid loading has been considered through added mass and radiation damping. The EFEA developments were validated by comparing EFEA results to solutions obtained by very dense conventional finite element models and solutions from classical techniques such as statistical energy analysis (SEA) and the modal decomposition method for bodies of revolution. EFEA results have also been compared favorably with test data for the vibration and the radiated noise generated by a large scale submersible vehicle. The primary variable in EFEA is defined as the time averaged over a period and space averaged over a wavelength energy density. A joint matrix computed from the power transmission coefficients is utilized for coupling the energy density variables across any discontinuities, such as change of plate thickness, plate/stiffener junctions etc. When considering the high frequency vibration of a periodically stiffened plate or cylinder, the flexural wavelength is smaller than the interval length between two periodic stiffeners, therefore the stiffener stiffness can not be smeared by computing an equivalent rigidity for the plate or cylinder. The periodic stiffeners must be regarded as coupling components between periodic units. In this paper, Periodic Structure (PS) theory is utilized for computing the coupling joint matrix and for accounting for the periodicity characteristics.

Investigation of isolated substorms: Generation conditions and characteristics of different phases

NASA Astrophysics Data System (ADS)

Vorobjev, V. G.; Yagodkina, O. I.; Zverev, V. L.

2016-11-01

Characteristics of isolated substorms selected by variations in the 1-min values of the AL index are analyzed. The substorms were divided into several types with respect to the behavior of the Bz component of the interplanetary magnetic field (IMF) during the expansion phase. The probability of observations of substorms associated with the northward turn of the Bz component of IMF was 19%, while the substorms taking place at Bz < 0 were observed in 53% of cases. A substantial number of events in which no substorm magnetic activity was observed in the auroral zone after a long (>30 min) period of the southward IMF and a following sharp turn of the Bz component of IMF before the north was detected. The data suggest that a northward IMF turn is neither a necessary nor sufficient condition for generating substorms. It has been shown for substorms of the both types that the average duration of the southward IMF to moment T 0 and the average intensity of the magnetic perturbation in the maximum are approximately the same and amount to 80 min and-650 nT, respectively. However, for substorms at Bz < 0, their mean duration, including the expansive and recovery phases, is on average 30 min longer than that at a northward turn of IMF. Correlations between the loading-unloading processes in the magnetosphere in the periods of magnetospheric substorms were investigated with different functions that determine the efficiency of the energy transfer from the solar wind to the magnetosphere. It has been shown that the highest correlation coefficient ( r = 0.84) is observed when the function suggested by Newell et al. (2007) is used. It has been detected that a simple function VB S yields a high correlation coefficient ( r = 0.75).

Diffuse Waves and Energy Densities Near Boundaries

NASA Astrophysics Data System (ADS)

Sanchez-Sesma, F. J.; Rodriguez-Castellanos, A.; Campillo, M.; Perton, M.; Luzon, F.; Perez-Ruiz, J. A.

2007-12-01

Green function can be retrieved from averaging cross correlations of motions within a diffuse field. In fact, it has been shown that for an elastic inhomogeneous, anisotropic medium under equipartitioned, isotropic illumination, the average cross correlations are proportional to the imaginary part of Green function. For instance coda waves are due to multiple scattering and their intensities follow diffusive regimes. Coda waves and the noise sample the medium and effectively carry information along their paths. In this work we explore the consequences of assuming both source and receiver at the same point. From the observable side, the autocorrelation is proportional to the energy density at a given point. On the other hand, the imaginary part of the Green function at the source itself is finite because the singularity of Green function is restricted to the real part. The energy density at a point is proportional with the trace of the imaginary part of Green function tensor at the source itself. The Green function availability may allow establishing the theoretical energy density of a seismic diffuse field generated by a background equipartitioned excitation. We study an elastic layer with free surface and overlaying a half space and compute the imaginary part of the Green function for various depths. We show that the resulting spectrum is indeed closely related to the layer dynamic response and the corresponding resonant frequencies are revealed. One implication of present findings lies in the fact that spatial variations may be useful in detecting the presence of a target by its signature in the distribution of diffuse energy. These results may be useful in assessing the seismic response of a given site if strong ground motions are scarce. It suffices having a reasonable illumination from micro earthquakes and noise. We consider that the imaginary part of Green function at the source is a spectral signature of the site. The relative importance of the peaks of this energy spectrum, ruling out non linear effects, may influence the seismic response for future earthquakes. Partial supports from DGAPA-UNAM, Project IN114706, Mexico; from Proyect MCyT CGL2005-05500-C02/BTE, Spain; from project DyETI of INSU-CNRS, France, and from the Instituto Mexicano del Petróleo are greatly appreciated.

Renormalized Energy Concentration in Random Matrices

NASA Astrophysics Data System (ADS)

Borodin, Alexei; Serfaty, Sylvia

2013-05-01

We define a "renormalized energy" as an explicit functional on arbitrary point configurations of constant average density in the plane and on the real line. The definition is inspired by ideas of Sandier and Serfaty (From the Ginzburg-Landau model to vortex lattice problems, 2012; 1D log-gases and the renormalized energy, 2013). Roughly speaking, it is obtained by subtracting two leading terms from the Coulomb potential on a growing number of charges. The functional is expected to be a good measure of disorder of a configuration of points. We give certain formulas for its expectation for general stationary random point processes. For the random matrix β-sine processes on the real line ( β = 1,2,4), and Ginibre point process and zeros of Gaussian analytic functions process in the plane, we compute the expectation explicitly. Moreover, we prove that for these processes the variance of the renormalized energy vanishes, which shows concentration near the expected value. We also prove that the β = 2 sine process minimizes the renormalized energy in the class of determinantal point processes with translation invariant correlation kernels.

Efficiency of energy recovery from waste incineration, in the light of the new Waste Framework Directive.

PubMed

Grosso, Mario; Motta, Astrid; Rigamonti, Lucia

2010-07-01

This paper deals with a key issue related to municipal waste incineration, which is the efficiency of energy recovery. A strong driver for improving the energy performances of waste-to-energy plants is the recent Waste Framework Directive (Directive 2008/98/EC of the European Parliament and of the Council of 19 November 2008 on waste and repealing certain Directives), which allows high efficiency installations to benefit from a status of "recovery" rather than "disposal". The change in designation means a step up in the waste hierarchy, where the lowest level of priority is now restricted to landfilling and low efficiency wastes incineration. The so-called "R1 formula" reported in the Directive, which counts for both production of power and heat, is critically analyzed and correlated to the more scientific-based approach of exergy efficiency. The results obtained for waste-to-energy plants currently operating in Europe reveal some significant differences in their performance, mainly related to the average size and to the availability of a heat market (district heating). Copyright (c) 2010 Elsevier Ltd. All rights reserved.

Psychological Correlates of University Students' Academic Performance: A Systematic Review and Meta-Analysis

ERIC Educational Resources Information Center

Richardson, Michelle; Abraham, Charles; Bond, Rod

2012-01-01

A review of 13 years of research into antecedents of university students' grade point average (GPA) scores generated the following: a comprehensive, conceptual map of known correlates of tertiary GPA; assessment of the magnitude of average, weighted correlations with GPA; and tests of multivariate models of GPA correlates within and across…

Solvent Reaction Field Potential inside an Uncharged Globular Protein: A Bridge between Implicit and Explicit Solvent Models?

PubMed Central

Baker, Nathan A.; McCammon, J. Andrew

2008-01-01

The solvent reaction field potential of an uncharged protein immersed in Simple Point Charge/Extended (SPC/E) explicit solvent was computed over a series of molecular dynamics trajectories, intotal 1560 ns of simulation time. A finite, positive potential of 13 to 24 kbTec−1 (where T = 300K), dependent on the geometry of the solvent-accessible surface, was observed inside the biomolecule. The primary contribution to this potential arose from a layer of positive charge density 1.0 Å from the solute surface, on average 0.008 ec/Å3, which we found to be the product of a highly ordered first solvation shell. Significant second solvation shell effects, including additional layers of charge density and a slight decrease in the short-range solvent-solvent interaction strength, were also observed. The impact of these findings on implicit solvent models was assessed by running similar explicit-solvent simulations on the fully charged protein system. When the energy due to the solvent reaction field in the uncharged system is accounted for, correlation between per-atom electrostatic energies for the explicit solvent model and a simple implicit (Poisson) calculation is 0.97, and correlation between per-atom energies for the explicit solvent model and a previously published, optimized Poisson model is 0.99. PMID:17949217

Solvent reaction field potential inside an uncharged globular protein: A bridge between implicit and explicit solvent models?

NASA Astrophysics Data System (ADS)

Cerutti, David S.; Baker, Nathan A.; McCammon, J. Andrew

2007-10-01

The solvent reaction field potential of an uncharged protein immersed in simple point charge/extended explicit solvent was computed over a series of molecular dynamics trajectories, in total 1560ns of simulation time. A finite, positive potential of 13-24 kbTec-1 (where T =300K), dependent on the geometry of the solvent-accessible surface, was observed inside the biomolecule. The primary contribution to this potential arose from a layer of positive charge density 1.0Å from the solute surface, on average 0.008ec/Å3, which we found to be the product of a highly ordered first solvation shell. Significant second solvation shell effects, including additional layers of charge density and a slight decrease in the short-range solvent-solvent interaction strength, were also observed. The impact of these findings on implicit solvent models was assessed by running similar explicit solvent simulations on the fully charged protein system. When the energy due to the solvent reaction field in the uncharged system is accounted for, correlation between per-atom electrostatic energies for the explicit solvent model and a simple implicit (Poisson) calculation is 0.97, and correlation between per-atom energies for the explicit solvent model and a previously published, optimized Poisson model is 0.99.

A comprehensive study of high-energy gamma-ray and radio emission from Cyg X-3

NASA Astrophysics Data System (ADS)

Zdziarski, Andrzej A.; Malyshev, Denys; Dubus, Guillaume; Pooley, Guy G.; Johnson, Tyrel; Frankowski, Adam; de Marco, Barbara; Chernyakova, Maria; Rao, A. R.

2018-06-01

We study high-energy γ-rays observed from Cyg X-3 by the Fermi Large Area Telescope and the 15-GHz emission observed by the Ryle Telescope and the Arcminute Microkelvin Imager. We measure the γ-ray spectrum averaged over strong flares much more accurately than before, and find it well modelled by Compton scattering of stellar radiation by relativistic electrons with the power law index of ≃3.5 and a low-energy cutoff at the Lorentz factor of ˜103. We find a weaker spectrum in the soft spectral state, but only upper limits in the hard and intermediate states. We measure strong orbital modulation during the flaring state, well modelled by anisotropic Compton scattering of blackbody photons from the donor by jet relativistic electrons. We discover a weaker orbital modulation of the 15 GHz radio emission, which is well modelled by free-free absorption by the stellar wind. We then study cross-correlations between radio, γ-ray and X-ray emissions. We find the cross-correlation between the radio and γ-ray emissions peaks at a lag less than 1 d, while we detect a distinct radio lag of ˜50 d with respect to the soft X-rays in the soft spectral state.

Renormalized coupled cluster approaches in the cluster-in-molecule framework: predicting vertical electron binding energies of the anionic water clusters (H2O)(n)(-).

PubMed

Xu, Peng; Gordon, Mark S

2014-09-04

Anionic water clusters are generally considered to be extremely challenging to model using fragmentation approaches due to the diffuse nature of the excess electron distribution. The local correlation coupled cluster (CC) framework cluster-in-molecule (CIM) approach combined with the completely renormalized CR-CC(2,3) method [abbreviated CIM/CR-CC(2,3)] is shown to be a viable alternative for computing the vertical electron binding energies (VEBE). CIM/CR-CC(2,3) with the threshold parameter ζ set to 0.001, as a trade-off between accuracy and computational cost, demonstrates the reliability of predicting the VEBE, with an average percentage error of ∼15% compared to the full ab initio calculation at the same level of theory. The errors are predominantly from the electron correlation energy. The CIM/CR-CC(2,3) approach provides the ease of a black-box type calculation with few threshold parameters to manipulate. The cluster sizes that can be studied by high-level ab initio methods are significantly increased in comparison with full CC calculations. Therefore, the VEBE computed by the CIM/CR-CC(2,3) method can be used as benchmarks for testing model potential approaches in small-to-intermediate-sized water clusters.

The Linear Interaction Energy Method for the Prediction of Protein Stability Changes Upon Mutation

PubMed Central

Wickstrom, Lauren; Gallicchio, Emilio; Levy, Ronald M.

2011-01-01

The coupling of protein energetics and sequence changes is a critical aspect of computational protein design, as well as for the understanding of protein evolution, human disease, and drug resistance. In order to study the molecular basis for this coupling, computational tools must be sufficiently accurate and computationally inexpensive enough to handle large amounts of sequence data. We have developed a computational approach based on the linear interaction energy (LIE) approximation to predict the changes in the free energy of the native state induced by a single mutation. This approach was applied to a set of 822 mutations in 10 proteins which resulted in an average unsigned error of 0.82 kcal/mol and a correlation coefficient of 0.72 between the calculated and experimental ΔΔG values. The method is able to accurately identify destabilizing hot spot mutations however it has difficulty in distinguishing between stabilizing and destabilizing mutations due to the distribution of stability changes for the set of mutations used to parameterize the model. In addition, the model also performs quite well in initial tests on a small set of double mutations. Based on these promising results, we can begin to examine the relationship between protein stability and fitness, correlated mutations, and drug resistance. PMID:22038697

Development and Validation of a Mediterranean Oriented Culture-Specific Semi-Quantitative Food Frequency Questionnaire

PubMed Central

Athanasiadou, Elpiniki; Kyrkou, Charikleia; Fotiou, Maria; Tsakoumaki, Foteini; Dimitropoulou, Aristea; Polychroniadou, Eleni; Menexes, Georgios; Athanasiadis, Apostolos P.; Biliaderis, Costas G.; Michaelidou, Alexandra-Maria

2016-01-01

The objectives were to develop a Mediterranean oriented semi-quantitative food frequency questionnaire (FFQ) and evaluate its validity in measuring energy and nutrient intakes. For FFQ development, the main challenge was to merge food items and practices reflecting cultural Mediterranean preferences with other food choices ensuing from diet transition to more westernized dietary patterns. FFQ validity was evaluated by comparing nutrient intakes against the average of two 24-h dietary recalls for 179 pregnant women. Although the mean intake values for most nutrients and energy tended to be higher when determined by the FFQ, the Cohen’s d was below 0.3. Bland-Altman plots confirmed the agreement between the two methods. Positive significant correlations ranged from 0.35 to 0.77. The proportion of women classified correctly was between 73.2% and 92.2%, whereas gross misclassification was low. Weighted kappa values were between 0.31 and 0.78, while intraclass correlation coefficients were between 0.49 and 0.89. Our methodological approach for the development and validation of this FFQ provides reliable measurements of energy, macro- and micronutrient intakes. Overall, our culture-specific FFQ could serve as a useful assessment tool in studies aiming at monitoring dietary intakes, especially in the Mediterranean region, where countries share common cultural dietary habits. PMID:27571097

Effect of zoledronic acid on fracture healing in osteoporotic patients with intertrochanteric fractures.

PubMed

Hayer, Prabhnoor Singh; Deane, Anit Kumar Samuel; Agrawal, Atul; Maheshwari, Rajesh; Juyal, Anil

2017-01-01

To assess the effect of zoledronic acid (ZOL) on fracture healing in osteoporotic patients with intertrochanteric fracture based on radiological evaluation and to study the correlations between severity of osteoporosis, age, gender, and time taken to fracture union. An open label study was conducted on 43 patients at a tertiary care center. The osteoporosis status of all the included patients was documented using a double-energy X-ray absorptiometry scan. A single dose of injection ZOL 5 mg was administered intravenously to all the patients after fixation during their hospital stay. Follow-up of the patients was done at 1, 3, and 6 months after surgery until union was seen radiologically. Data were entered into Microsoft Office Excel version 2007, and interpretation and analysis of obtained data were done using summary statistics. Pearson correlation between age, gender, bone mineral density (BMD), and time taken to fracture union was done using the IBM SPSS Version 22.0 (IBM Corp. Released 2013. IBM SPSS Statistics for Windows, Version 22.0. Armonk, NY: IBM Corp.). The average age of the patients included in the study was 71.27 ± 11.48 and the average BMD was -4.58±1.42. All the fractures united by the 6 th month of follow-up, which was similar to the union rate in comparison with the literature. The correlations between the gender, BMD, age, and time to union were calculated, and all the r values obtained showed very low correlation and the P values in all the variables were not significant. The bisphosphonate therapy did not adversely affect radiologically determined fracture union, and no correlations between severity of osteoporosis, age, gender, and time taken to fracture union were found to be significant.

Analysis of the track- and dose-averaged LET and LET spectra in proton therapy using the GEANT4 Monte Carlo code

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

Guan, Fada; Peeler, Christopher; Taleei, Reza

Purpose: The motivation of this study was to find and eliminate the cause of errors in dose-averaged linear energy transfer (LET) calculations from therapeutic protons in small targets, such as biological cell layers, calculated using the GEANT 4 Monte Carlo code. Furthermore, the purpose was also to provide a recommendation to select an appropriate LET quantity from GEANT 4 simulations to correlate with biological effectiveness of therapeutic protons. Methods: The authors developed a particle tracking step based strategy to calculate the average LET quantities (track-averaged LET, LET{sub t} and dose-averaged LET, LET{sub d}) using GEANT 4 for different tracking stepmore » size limits. A step size limit refers to the maximally allowable tracking step length. The authors investigated how the tracking step size limit influenced the calculated LET{sub t} and LET{sub d} of protons with six different step limits ranging from 1 to 500 μm in a water phantom irradiated by a 79.7-MeV clinical proton beam. In addition, the authors analyzed the detailed stochastic energy deposition information including fluence spectra and dose spectra of the energy-deposition-per-step of protons. As a reference, the authors also calculated the averaged LET and analyzed the LET spectra combining the Monte Carlo method and the deterministic method. Relative biological effectiveness (RBE) calculations were performed to illustrate the impact of different LET calculation methods on the RBE-weighted dose. Results: Simulation results showed that the step limit effect was small for LET{sub t} but significant for LET{sub d}. This resulted from differences in the energy-deposition-per-step between the fluence spectra and dose spectra at different depths in the phantom. Using the Monte Carlo particle tracking method in GEANT 4 can result in incorrect LET{sub d} calculation results in the dose plateau region for small step limits. The erroneous LET{sub d} results can be attributed to the algorithm to determine fluctuations in energy deposition along the tracking step in GEANT 4. The incorrect LET{sub d} values lead to substantial differences in the calculated RBE. Conclusions: When the GEANT 4 particle tracking method is used to calculate the average LET values within targets with a small step limit, such as smaller than 500 μm, the authors recommend the use of LET{sub t} in the dose plateau region and LET{sub d} around the Bragg peak. For a large step limit, i.e., 500 μm, LET{sub d} is recommended along the whole Bragg curve. The transition point depends on beam parameters and can be found by determining the location where the gradient of the ratio of LET{sub d} and LET{sub t} becomes positive.« less

Thermal motion in proteins: Large effects on the time-averaged interaction energies

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

Goethe, Martin, E-mail: martingoethe@ub.edu; Rubi, J. Miguel; Fita, Ignacio

As a consequence of thermal motion, inter-atomic distances in proteins fluctuate strongly around their average values, and hence, also interaction energies (i.e. the pair-potentials evaluated at the fluctuating distances) are not constant in time but exhibit pronounced fluctuations. These fluctuations cause that time-averaged interaction energies do generally not coincide with the energy values obtained by evaluating the pair-potentials at the average distances. More precisely, time-averaged interaction energies behave typically smoother in terms of the average distance than the corresponding pair-potentials. This averaging effect is referred to as the thermal smoothing effect. Here, we estimate the strength of the thermal smoothingmore » effect on the Lennard-Jones pair-potential for globular proteins at ambient conditions using x-ray diffraction and simulation data of a representative set of proteins. For specific atom species, we find a significant smoothing effect where the time-averaged interaction energy of a single atom pair can differ by various tens of cal/mol from the Lennard-Jones potential at the average distance. Importantly, we observe a dependency of the effect on the local environment of the involved atoms. The effect is typically weaker for bulky backbone atoms in beta sheets than for side-chain atoms belonging to other secondary structure on the surface of the protein. The results of this work have important practical implications for protein software relying on free energy expressions. We show that the accuracy of free energy expressions can largely be increased by introducing environment specific Lennard-Jones parameters accounting for the fact that the typical thermal motion of protein atoms depends strongly on their local environment.« less

Thermal motion in proteins: Large effects on the time-averaged interaction energies

NASA Astrophysics Data System (ADS)

Goethe, Martin; Fita, Ignacio; Rubi, J. Miguel

2016-03-01

As a consequence of thermal motion, inter-atomic distances in proteins fluctuate strongly around their average values, and hence, also interaction energies (i.e. the pair-potentials evaluated at the fluctuating distances) are not constant in time but exhibit pronounced fluctuations. These fluctuations cause that time-averaged interaction energies do generally not coincide with the energy values obtained by evaluating the pair-potentials at the average distances. More precisely, time-averaged interaction energies behave typically smoother in terms of the average distance than the corresponding pair-potentials. This averaging effect is referred to as the thermal smoothing effect. Here, we estimate the strength of the thermal smoothing effect on the Lennard-Jones pair-potential for globular proteins at ambient conditions using x-ray diffraction and simulation data of a representative set of proteins. For specific atom species, we find a significant smoothing effect where the time-averaged interaction energy of a single atom pair can differ by various tens of cal/mol from the Lennard-Jones potential at the average distance. Importantly, we observe a dependency of the effect on the local environment of the involved atoms. The effect is typically weaker for bulky backbone atoms in beta sheets than for side-chain atoms belonging to other secondary structure on the surface of the protein. The results of this work have important practical implications for protein software relying on free energy expressions. We show that the accuracy of free energy expressions can largely be increased by introducing environment specific Lennard-Jones parameters accounting for the fact that the typical thermal motion of protein atoms depends strongly on their local environment.

Testing and evaluation of the LES-6 pulsed plasma thruster by means of a torsion pendulum system

NASA Technical Reports Server (NTRS)

Hamidian, J. P.; Dahlgren, J. B.

1973-01-01

Performance characteristics of the LES-6 pulsed plasma thruster over a range of input conditions were investigated by means of a torsion pendulum system. Parameters of particular interest included the impulse bit and time average thrust (and their repeatability), specific impulse, mass ablated per discharge, specific thrust, energy per unit area, efficiency, and variation of performance with ignition command rate. Intermittency of the thruster as affected by input energy and igniter resistance were also investigated. Comparative experimental data correlation with the data presented. The results of these tests indicate that the LES-6 thruster, with some identifiable design improvements, represents an attractive reaction control thruster for attitude contol applications on long-life spacecraft requiring small metered impulse bits for precise pointing control of science instruments.

Gibbs Energy Additivity Approaches in Estimation of Dynamic Viscosities of n-Alkane-1-ol

NASA Astrophysics Data System (ADS)

Phankosol, S.; Krisnangkura, K.

2017-09-01

Alcohols are solvents for organic and inorganic substances. Dynamic viscosity of liquid is important transport properties. In this study models for estimating n-alkan-1-ol dynamic viscosities are correlated to the Martin’s rule of free energy additivity. Data available in literatures are used to validate and support the proposed equations. The dynamic viscosities of n-alkan-1-ol can be easily estimated from its carbon numbers (nc) and temperatures (T). The bias, average absolute deviation and coefficient of determination (R2) in estimating of n-alkan-1-ol are -0.17%, 1.73% and 0.999, respectively. The dynamic viscosities outside temperature between 288.15 and 363.15 K may be possibly estimated by this model but accuracy may be lower.

A prospective study of dietary intakes and influential factors from pregnancy to postpartum on maternal weight retention in Taipei, Taiwan.

PubMed

Lyu, Li-Ching; Lo, Chaio-Chen; Chen, Heng-Fei; Wang, Chia-Yu; Liu, Dou-Ming

2009-12-01

Excessive gestational weight gain and postpartum weight retention are risk factors for female obesity. The present study was to examine dietary intakes and weight history from a prospective follow-up study from early pregnancy to 1 year postpartum. A total of 151 pregnant women within 20 weeks of pregnancy in Taipei, Taiwan were interviewed periodically to collect dietary and lifestyle information. The participants had an average age of 30 years and the average gestational weight gain was 14 kg, with an average daily intake of 7830 kJ (1870 kcal) in the 1 year following parturition. By bivariate analyses, maternal age, pre-pregnancy BMI and breast-feeding were not related to postpartum weight retention, but gestational weight gain had significant positive correlations (r 0.54 at 6 months, r 0.44 at 1 year; P < 0.05). The generalised estimating equations showed that the average weight before pregnancy, at 6 months and 1 year postpartum was 53.35 kg, 55.75 kg (weight retention 2.36 kg; P < 0.01) and 54.75 kg (weight retention 1.48 kg; P < 0.01), respectively. After controlling for age, pre-pregnancy BMI, gestational weight gain and parity, we found at 6 months that the adjusted weight retention at postpartum was 0.79 kg (P < 0.01), but at 1 year it was - 0.08 kg (P>0.05). From multivariate analyses, dietary energy intake and energy intake per kg body weight as a long-term physical activity index could explain 24 % of the variation at 6 months and 27 % of the variation at 1 year in postpartum weight retention. These results suggest that pregnant women should be advised to control gestational weight gain, decrease energy intakes after child-bearing and maintain regular exercise in order to prevent postpartum obesity.

Versatile Gaussian probes for squeezing estimation

NASA Astrophysics Data System (ADS)

Rigovacca, Luca; Farace, Alessandro; Souza, Leonardo A. M.; De Pasquale, Antonella; Giovannetti, Vittorio; Adesso, Gerardo

2017-05-01

We consider an instance of "black-box" quantum metrology in the Gaussian framework, where we aim to estimate the amount of squeezing applied on an input probe, without previous knowledge on the phase of the applied squeezing. By taking the quantum Fisher information (QFI) as the figure of merit, we evaluate its average and variance with respect to this phase in order to identify probe states that yield good precision for many different squeezing directions. We first consider the case of single-mode Gaussian probes with the same energy, and find that pure squeezed states maximize the average quantum Fisher information (AvQFI) at the cost of a performance that oscillates strongly as the squeezing direction is changed. Although the variance can be brought to zero by correlating the probing system with a reference mode, the maximum AvQFI cannot be increased in the same way. A different scenario opens if one takes into account the effects of photon losses: coherent states represent the optimal single-mode choice when losses exceed a certain threshold and, moreover, correlated probes can now yield larger AvQFI values than all single-mode states, on top of having zero variance.

Validation of micro-mechanical FFT-based simulations using High Energy Diffraction Microscopy on Ti-7Al

DOE PAGES

Tari, Vahid; Lebensohn, Ricardo A.; Pokharel, Reeju; ...

2018-08-01

Here, a validation is reported for micromechanical simulation using a reimplementation of an elasto-viscoplastic FFT-based (EVPFFT) formulation, i.e., the Micromechanical Analysis of Stress-strain Inhomogeneities with fast Fourier transform (MASSIF) code, against experimental data obtained from synchrotron x-ray diffraction. The experimental data was collected during in-situ deformation of a titanium alloy specimen by High Energy Diffraction Microscopy (HEDM), which provided the average elastic strain tensor and orientation of each grain in a polycrystalline sample. MASSIF was used to calculate the local micromechanical fields in a Ti-7Al polycrystalline sample at different load levels. The initially attempted simulation showed that, although the effectivemore » response was calibrated to reproduce the experiment, MASSIF was not able to reproduce the micromechanical fields at the scale of individual grains. The differences between calculated and measured averages at the grain scale were related to initial residual strains resulting from the prior processing of the material, which had not been incorporated in the original calculation. Accordingly, a new simulation was instantiated using information on the measured residual strains to define a set of eigenstrains, calculated via an Eshelby approximation. This initialization significantly improved the correlation between calculated and simulated fields for all strain and stress components, for measurements performed within the elastic regime. For the measurements at the highest load, which was past plastic yield, the correlations deteriorated because of plastic deformation at the grain level and the lack of an accurate enough constitutive description in this deformation regime.« less

Validation of micro-mechanical FFT-based simulations using High Energy Diffraction Microscopy on Ti-7Al

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

Tari, Vahid; Lebensohn, Ricardo A.; Pokharel, Reeju

Here, a validation is reported for micromechanical simulation using a reimplementation of an elasto-viscoplastic FFT-based (EVPFFT) formulation, i.e., the Micromechanical Analysis of Stress-strain Inhomogeneities with fast Fourier transform (MASSIF) code, against experimental data obtained from synchrotron x-ray diffraction. The experimental data was collected during in-situ deformation of a titanium alloy specimen by High Energy Diffraction Microscopy (HEDM), which provided the average elastic strain tensor and orientation of each grain in a polycrystalline sample. MASSIF was used to calculate the local micromechanical fields in a Ti-7Al polycrystalline sample at different load levels. The initially attempted simulation showed that, although the effectivemore » response was calibrated to reproduce the experiment, MASSIF was not able to reproduce the micromechanical fields at the scale of individual grains. The differences between calculated and measured averages at the grain scale were related to initial residual strains resulting from the prior processing of the material, which had not been incorporated in the original calculation. Accordingly, a new simulation was instantiated using information on the measured residual strains to define a set of eigenstrains, calculated via an Eshelby approximation. This initialization significantly improved the correlation between calculated and simulated fields for all strain and stress components, for measurements performed within the elastic regime. For the measurements at the highest load, which was past plastic yield, the correlations deteriorated because of plastic deformation at the grain level and the lack of an accurate enough constitutive description in this deformation regime.« less

Facial averageness and genetic quality: Testing heritability, genetic correlation with attractiveness, and the paternal age effect.

PubMed

Lee, Anthony J; Mitchem, Dorian G; Wright, Margaret J; Martin, Nicholas G; Keller, Matthew C; Zietsch, Brendan P

2016-01-01

Popular theory suggests that facial averageness is preferred in a partner for genetic benefits to offspring. However, whether facial averageness is associated with genetic quality is yet to be established. Here, we computed an objective measure of facial averageness for a large sample ( N = 1,823) of identical and nonidentical twins and their siblings to test two predictions from the theory that facial averageness reflects genetic quality. First, we use biometrical modelling to estimate the heritability of facial averageness, which is necessary if it reflects genetic quality. We also test for a genetic association between facial averageness and facial attractiveness. Second, we assess whether paternal age at conception (a proxy of mutation load) is associated with facial averageness and facial attractiveness. Our findings are mixed with respect to our hypotheses. While we found that facial averageness does have a genetic component, and a significant phenotypic correlation exists between facial averageness and attractiveness, we did not find a genetic correlation between facial averageness and attractiveness (therefore, we cannot say that the genes that affect facial averageness also affect facial attractiveness) and paternal age at conception was not negatively associated with facial averageness. These findings support some of the previously untested assumptions of the 'genetic benefits' account of facial averageness, but cast doubt on others.

Large deviation probabilities for correlated Gaussian stochastic processes and daily temperature anomalies

NASA Astrophysics Data System (ADS)

Massah, Mozhdeh; Kantz, Holger

2016-04-01

As we have one and only one earth and no replicas, climate characteristics are usually computed as time averages from a single time series. For understanding climate variability, it is essential to understand how close a single time average will typically be to an ensemble average. To answer this question, we study large deviation probabilities (LDP) of stochastic processes and characterize them by their dependence on the time window. In contrast to iid variables for which there exists an analytical expression for the rate function, the correlated variables such as auto-regressive (short memory) and auto-regressive fractionally integrated moving average (long memory) processes, have not an analytical LDP. We study LDP for these processes, in order to see how correlation affects this probability in comparison to iid data. Although short range correlations lead to a simple correction of sample size, long range correlations lead to a sub-exponential decay of LDP and hence to a very slow convergence of time averages. This effect is demonstrated for a 120 year long time series of daily temperature anomalies measured in Potsdam (Germany).

Experimental Constraints on γ-Ray Pulsar Gap Models and the Pulsar GeV to Pulsar Wind Nebula TeV Connection

NASA Astrophysics Data System (ADS)

Abeysekara, A. U.; Linnemann, J. T.

2015-05-01

The pulsar emission mechanism in the gamma ray energy band is poorly understood. Currently, there are several models under discussion in the pulsar community. These models can be constrained by studying the collective properties of a sample of pulsars, which became possible with the large sample of gamma ray pulsars discovered by the Fermi Large Area Telescope. In this paper we develop a new experimental multi-wavelength technique to determine the beaming factor ≤ft( {{f}{Ω }} \\right) dependance on spin-down luminosity of a set of GeV pulsars. This technique requires three input parameters: pulsar spin-down luminosity, pulsar phase-averaged GeV flux, and TeV or X-ray flux from the associated pulsar wind nebula (PWN). The analysis presented in this paper uses the PWN TeV flux measurements to study the correlation between {{f}{Ω }} and \\dot{E}. The measured correlation has some features that favor the Outer Gap model over the Polar Cap, Slot Gap, and One Pole Caustic models for pulsar emission in the energy range of 0.1-100 GeV, but one must keep in mind that these simulated models failed to explain many of the most important pulsar population characteristics. A tight correlation between the pulsar GeV emission and PWN TeV emission was also observed, which suggests the possibility of a linear relationship between the two emission mechanisms. In this paper we also discuss a possible mechanism to explain this correlation.

16 CFR 305.10 - Ranges of comparability on the required labels.

Code of Federal Regulations, 2013 CFR

2013-01-01

... modification under this section need not be relabeled. (b) Representative average unit energy cost. The Representative Average Unit Energy Cost to be used on labels as required by § 305.11 and disclosures as required... Representative Average Unit Energy Cost figures every five years beginning in 2012 in the Federal Register. When...

16 CFR 305.10 - Ranges of comparability on the required labels.

Code of Federal Regulations, 2010 CFR

2010-01-01

... modification under this section need not be relabeled. (b) Representative average unit energy cost. The Representative Average Unit Energy Cost to be used on labels as required by § 305.11 and disclosures as required... Representative Average Unit Energy Cost figures every five years beginning in 2012 in the Federal Register. When...

16 CFR 305.10 - Ranges of comparability on the required labels.

Code of Federal Regulations, 2012 CFR

2012-01-01

... modification under this section need not be relabeled. (b) Representative average unit energy cost. The Representative Average Unit Energy Cost to be used on labels as required by § 305.11 and disclosures as required... Representative Average Unit Energy Cost figures every five years beginning in 2012 in the Federal Register. When...

16 CFR 305.10 - Ranges of comparability on the required labels.

Code of Federal Regulations, 2011 CFR

2011-01-01

... modification under this section need not be relabeled. (b) Representative average unit energy cost. The Representative Average Unit Energy Cost to be used on labels as required by § 305.11 and disclosures as required... Representative Average Unit Energy Cost figures every five years beginning in 2012 in the Federal Register. When...

One-dimensional pion, kaon, and proton femtoscopy in Pb-Pb collisions at s NN = 2.76 TeV

DOE PAGES

Adam, J.; Adamová, D.; Aggarwal, M. M.; ...

2015-11-19

Tmore » he size of the particle emission region in high-energy collisions can be deduced using the femtoscopic correlations of particle pairs at low relative momentum. Such correlations arise due to quantum statistics and Coulomb and strong final state interactions. In this paper, results are presented from femtoscopic analyses of π ± π ±, K ± K ±, K$$0\\atop{S}$$K$$0\\atop{S}$$, pp , and $$\\overline{p}$$ $$\\overline{p}$$ correlations from Pb-Pb collisions at s NN = 2.76 eV by the ALICE experiment at the LHC. One-dimensional radii of the system are extracted from correlation functions in terms of the invariant momentum difference of the pair. he comparison of the measured radii with the predictions from a hydrokinetic model is discussed. he pion and kaon source radii display a monotonic decrease with increasing average pair transverse mass m which is consistent with hydrodynamic model predictions for central collisions. Lastly, the kaon and proton source sizes can be reasonably described by approximate m scaling.« less

One-dimensional pion, kaon, and proton femtoscopy in Pb-Pb collisions at √{sNN}=2.76 TeV

NASA Astrophysics Data System (ADS)

Adam, J.; Adamová, D.; Aggarwal, M. M.; Aglieri Rinella, G.; Agnello, M.; Agrawal, N.; Ahammed, Z.; Ahn, S. U.; Aimo, I.; Aiola, S.; Ajaz, M.; Akindinov, A.; Alam, S. N.; Aleksandrov, D.; Alessandro, B.; Alexandre, D.; Alfaro Molina, R.; Alici, A.; Alkin, A.; Alme, J.; Alt, T.; Altinpinar, S.; Altsybeev, I.; Alves Garcia Prado, C.; Andrei, C.; Andronic, A.; Anguelov, V.; Anielski, J.; Antičić, T.; Antinori, F.; Antonioli, P.; Aphecetche, L.; Appelshäuser, H.; Arcelli, S.; Armesto, N.; Arnaldi, R.; Arsene, I. C.; Arslandok, M.; Audurier, B.; Augustinus, A.; Averbeck, R.; Azmi, M. D.; Bach, M.; Badalà, A.; Baek, Y. W.; Bagnasco, S.; Bailhache, R.; Bala, R.; Baldisseri, A.; Baltasar Dos Santos Pedrosa, F.; Baral, R. C.; Barbano, A. M.; Barbera, R.; Barile, F.; Barnaföldi, G. G.; Barnby, L. S.; Barret, V.; Bartalini, P.; Barth, K.; Bartke, J.; Bartsch, E.; Basile, M.; Bastid, N.; Basu, S.; Bathen, B.; Batigne, G.; Batista Camejo, A.; Batyunya, B.; Batzing, P. C.; Bearden, I. G.; Beck, H.; Bedda, C.; Behera, N. K.; Belikov, I.; Bellini, F.; Bello Martinez, H.; Bellwied, R.; Belmont, R.; Belmont-Moreno, E.; Belyaev, V.; Bencedi, G.; Beole, S.; Berceanu, I.; Bercuci, A.; Berdnikov, Y.; Berenyi, D.; Bertens, R. A.; Berzano, D.; Betev, L.; Bhasin, A.; Bhat, I. R.; Bhati, A. K.; Bhattacharjee, B.; Bhom, J.; Bianchi, L.; Bianchi, N.; Bianchin, C.; Bielčík, J.; Bielčíková, J.; Bilandzic, A.; Biswas, R.; Biswas, S.; Bjelogrlic, S.; Blanco, F.; Blau, D.; Blume, C.; Bock, F.; Bogdanov, A.; Bøggild, H.; Boldizsár, L.; Bombara, M.; Book, J.; Borel, H.; Borissov, A.; Borri, M.; Bossú, F.; Botje, M.; Botta, E.; Böttger, S.; Braun-Munzinger, P.; Bregant, M.; Breitner, T.; Broker, T. A.; Browning, T. A.; Broz, M.; Brucken, E. J.; Bruna, E.; Bruno, G. E.; Budnikov, D.; Buesching, H.; Bufalino, S.; Buncic, P.; Busch, O.; Buthelezi, Z.; Butt, J. B.; Buxton, J. T.; Caffarri, D.; Cai, X.; Caines, H.; Calero Diaz, L.; Caliva, A.; Calvo Villar, E.; Camerini, P.; Carena, F.; Carena, W.; Castillo Castellanos, J.; Castro, A. J.; Casula, E. A. R.; Cavicchioli, C.; Ceballos Sanchez, C.; Cepila, J.; Cerello, P.; Cerkala, J.; Chang, B.; Chapeland, S.; Chartier, M.; Charvet, J. L.; Chattopadhyay, S.; Chattopadhyay, S.; Chelnokov, V.; Cherney, M.; Cheshkov, C.; Cheynis, B.; Chibante Barroso, V.; Chinellato, D. D.; Chochula, P.; Choi, K.; Chojnacki, M.; Choudhury, S.; Christakoglou, P.; Christensen, C. H.; Christiansen, P.; Chujo, T.; Chung, S. U.; Chunhui, Z.; Cicalo, C.; Cifarelli, L.; Cindolo, F.; Cleymans, J.; Colamaria, F.; Colella, D.; Collu, A.; Colocci, M.; Conesa Balbastre, G.; Conesa Del Valle, Z.; Connors, M. E.; Contreras, J. G.; Cormier, T. M.; Corrales Morales, Y.; Cortés Maldonado, I.; Cortese, P.; Cosentino, M. R.; Costa, F.; Crochet, P.; Cruz Albino, R.; Cuautle, E.; Cunqueiro, L.; Dahms, T.; Dainese, A.; Danu, A.; Das, D.; Das, I.; Das, S.; Dash, A.; Dash, S.; de, S.; de Caro, A.; de Cataldo, G.; de Cuveland, J.; de Falco, A.; de Gruttola, D.; De Marco, N.; de Pasquale, S.; Deisting, A.; Deloff, A.; Dénes, E.; D'Erasmo, G.; di Bari, D.; di Mauro, A.; di Nezza, P.; Diaz Corchero, M. A.; Dietel, T.; Dillenseger, P.; Divià, R.; Djuvsland, Ø.; Dobrin, A.; Dobrowolski, T.; Domenicis Gimenez, D.; Dönigus, B.; Dordic, O.; Dubey, A. K.; Dubla, A.; Ducroux, L.; Dupieux, P.; Ehlers, R. J.; Elia, D.; Engel, H.; Erazmus, B.; Erdemir, I.; Erhardt, F.; Eschweiler, D.; Espagnon, B.; Estienne, M.; Esumi, S.; Eum, J.; Evans, D.; Evdokimov, S.; Eyyubova, G.; Fabbietti, L.; Fabris, D.; Faivre, J.; Fantoni, A.; Fasel, M.; Feldkamp, L.; Felea, D.; Feliciello, A.; Feofilov, G.; Ferencei, J.; Fernández Téllez, A.; Ferreiro, E. G.; Ferretti, A.; Festanti, A.; Feuillard, V. J. G.; Figiel, J.; Figueredo, M. A. S.; Filchagin, S.; Finogeev, D.; Fionda, F. M.; Fiore, E. M.; Fleck, M. G.; Floris, M.; Foertsch, S.; Foka, P.; Fokin, S.; Fragiacomo, E.; Francescon, A.; Frankenfeld, U.; Fuchs, U.; Furget, C.; Furs, A.; Fusco Girard, M.; Gaardhøje, J. J.; Gagliardi, M.; Gago, A. M.; Gallio, M.; Gangadharan, D. R.; Ganoti, P.; Gao, C.; Garabatos, C.; Garcia-Solis, E.; Gargiulo, C.; Gasik, P.; Germain, M.; Gheata, A.; Gheata, M.; Ghosh, P.; Ghosh, S. K.; Gianotti, P.; Giubellino, P.; Giubilato, P.; Gladysz-Dziadus, E.; Glässel, P.; Gomez Ramirez, A.; González-Zamora, P.; Gorbunov, S.; Görlich, L.; Gotovac, S.; Grabski, V.; Graczykowski, L. K.; Graham, K. L.; Grelli, A.; Grigoras, A.; Grigoras, C.; Grigoriev, V.; Grigoryan, A.; Grigoryan, S.; Grinyov, B.; Grion, N.; Grosse-Oetringhaus, J. F.; Grossiord, J.-Y.; Grosso, R.; Guber, F.; Guernane, R.; Guerzoni, B.; Gulbrandsen, K.; Gulkanyan, H.; Gunji, T.; Gupta, A.; Gupta, R.; Haake, R.; Haaland, Ø.; Hadjidakis, C.; Haiduc, M.; Hamagaki, H.; Hamar, G.; Hansen, A.; Harris, J. W.; Hartmann, H.; Harton, A.; Hatzifotiadou, D.; Hayashi, S.; Heckel, S. T.; Heide, M.; Helstrup, H.; Herghelegiu, A.; Herrera Corral, G.; Hess, B. A.; Hetland, K. F.; Hilden, T. E.; Hillemanns, H.; Hippolyte, B.; Hosokawa, R.; Hristov, P.; Huang, M.; Humanic, T. J.; Hussain, N.; Hussain, T.; Hutter, D.; Hwang, D. S.; Ilkaev, R.; Ilkiv, I.; Inaba, M.; Ionita, C.; Ippolitov, M.; Irfan, M.; Ivanov, M.; Ivanov, V.; Izucheev, V.; Jacobs, P. M.; Jadlovska, S.; Jahnke, C.; Jang, H. J.; Janik, M. A.; Jayarathna, P. H. S. Y.; Jena, C.; Jena, S.; Jimenez Bustamante, R. T.; Jones, P. G.; Jung, H.; Jusko, A.; Kalinak, P.; Kalweit, A.; Kamin, J.; Kang, J. H.; Kaplin, V.; Kar, S.; Karasu Uysal, A.; Karavichev, O.; Karavicheva, T.; Karpechev, E.; Kebschull, U.; Keidel, R.; Keijdener, D. L. D.; Keil, M.; Khan, K. H.; Khan, M. M.; Khan, P.; Khan, S. A.; Khanzadeev, A.; Kharlov, Y.; Kileng, B.; Kim, B.; Kim, D. W.; Kim, D. J.; Kim, H.; Kim, J. S.; Kim, M.; Kim, M.; Kim, S.; Kim, T.; Kirsch, S.; Kisel, I.; Kiselev, S.; Kisiel, A.; Kiss, G.; Klay, J. L.; Klein, C.; Klein, J.; Klein-Bösing, C.; Kluge, A.; Knichel, M. L.; Knospe, A. G.; Kobayashi, T.; Kobdaj, C.; Kofarago, M.; Kollegger, T.; Kolojvari, A.; Kondratiev, V.; Kondratyeva, N.; Kondratyuk, E.; Konevskikh, A.; Kopcik, M.; Kouzinopoulos, C.; Kovalenko, O.; Kovalenko, V.; Kowalski, M.; Kox, S.; Koyithatta Meethaleveedu, G.; Kral, J.; Králik, I.; Kravčáková, A.; Krelina, M.; Kretz, M.; Krivda, M.; Krizek, F.; Kryshen, E.; Krzewicki, M.; Kubera, A. M.; Kučera, V.; Kugathasan, T.; Kuhn, C.; Kuijer, P. G.; Kulakov, I.; Kumar, J.; Kumar, L.; Kurashvili, P.; Kurepin, A.; Kurepin, A. B.; Kuryakin, A.; Kushpil, S.; Kweon, M. J.; Kwon, Y.; La Pointe, S. L.; La Rocca, P.; Lagana Fernandes, C.; Lakomov, I.; Langoy, R.; Lara, C.; Lardeux, A.; Lattuca, A.; Laudi, E.; Lea, R.; Leardini, L.; Lee, G. R.; Lee, S.; Legrand, I.; Lemmon, R. C.; Lenti, V.; Leogrande, E.; León Monzón, I.; Leoncino, M.; Lévai, P.; Li, S.; Li, X.; Lien, J.; Lietava, R.; Lindal, S.; Lindenstruth, V.; Lippmann, C.; Lisa, M. A.; Ljunggren, H. M.; Lodato, D. F.; Loenne, P. I.; Loggins, V. R.; Loginov, V.; Loizides, C.; Lopez, X.; López Torres, E.; Lowe, A.; Luettig, P.; Lunardon, M.; Luparello, G.; Luz, P. H. F. N. D.; Maevskaya, A.; Mager, M.; Mahajan, S.; Mahmood, S. M.; Maire, A.; Majka, R. D.; Malaev, M.; Maldonado Cervantes, I.; Malinina, L.; Mal'Kevich, D.; Malzacher, P.; Mamonov, A.; Manceau, L.; Manko, V.; Manso, F.; Manzari, V.; Marchisone, M.; Mareš, J.; Margagliotti, G. V.; Margotti, A.; Margutti, J.; Marín, A.; Markert, C.; Marquard, M.; Martin, N. A.; Martin Blanco, J.; Martinengo, P.; Martínez, M. I.; Martínez García, G.; Martinez Pedreira, M.; Martynov, Y.; Mas, A.; Masciocchi, S.; Masera, M.; Masoni, A.; Massacrier, L.; Mastroserio, A.; Masui, H.; Matyja, A.; Mayer, C.; Mazer, J.; Mazzoni, M. A.; McDonald, D.; Meddi, F.; Menchaca-Rocha, A.; Meninno, E.; Mercado Pérez, J.; Meres, M.; Miake, Y.; Mieskolainen, M. M.; Mikhaylov, K.; Milano, L.; Milosevic, J.; Minervini, L. M.; Mischke, A.; Mishra, A. N.; Miśkowiec, D.; Mitra, J.; Mitu, C. M.; Mohammadi, N.; Mohanty, B.; Molnar, L.; Montaño Zetina, L.; Montes, E.; Morando, M.; Moreira de Godoy, D. A.; Moretto, S.; Morreale, A.; Morsch, A.; Muccifora, V.; Mudnic, E.; Mühlheim, D.; Muhuri, S.; Mukherjee, M.; Mulligan, J. D.; Munhoz, M. G.; Murray, S.; Musa, L.; Musinsky, J.; Nandi, B. K.; Nania, R.; Nappi, E.; Naru, M. U.; Nattrass, C.; Nayak, K.; Nayak, T. K.; Nazarenko, S.; Nedosekin, A.; Nellen, L.; Ng, F.; Nicassio, M.; Niculescu, M.; Niedziela, J.; Nielsen, B. S.; Nikolaev, S.; Nikulin, S.; Nikulin, V.; Noferini, F.; Nomokonov, P.; Nooren, G.; Noris, J. C. C.; Norman, J.; Nyanin, A.; Nystrand, J.; Oeschler, H.; Oh, S.; Oh, S. K.; Ohlson, A.; Okatan, A.; Okubo, T.; Olah, L.; Oleniacz, J.; Oliveira da Silva, A. C.; Oliver, M. H.; Onderwaater, J.; Oppedisano, C.; Ortiz Velasquez, A.; Oskarsson, A.; Otwinowski, J.; Oyama, K.; Ozdemir, M.; Pachmayer, Y.; Pagano, P.; Paić, G.; Pajares, C.; Pal, S. K.; Pan, J.; Pandey, A. K.; Pant, D.; Papcun, P.; Papikyan, V.; Pappalardo, G. S.; Pareek, P.; Park, W. J.; Parmar, S.; Passfeld, A.; Paticchio, V.; Patra, R. N.; Paul, B.; Peitzmann, T.; Pereira da Costa, H.; Pereira de Oliveira Filho, E.; Peresunko, D.; Pérez Lara, C. E.; Perez Lezama, E.; Peskov, V.; Pestov, Y.; Petráček, V.; Petrov, V.; Petrovici, M.; Petta, C.; Piano, S.; Pikna, M.; Pillot, P.; Pinazza, O.; Pinsky, L.; Piyarathna, D. B.; Płoskoń, M.; Planinic, M.; Pluta, J.; Pochybova, S.; Podesta-Lerma, P. L. M.; Poghosyan, M. G.; Polichtchouk, B.; Poljak, N.; Poonsawat, W.; Pop, A.; Porteboeuf-Houssais, S.; Porter, J.; Pospisil, J.; Prasad, S. K.; Preghenella, R.; Prino, F.; Pruneau, C. A.; Pshenichnov, I.; Puccio, M.; Puddu, G.; Pujahari, P.; Punin, V.; Putschke, J.; Qvigstad, H.; Rachevski, A.; Raha, S.; Rajput, S.; Rak, J.; Rakotozafindrabe, A.; Ramello, L.; Raniwala, R.; Raniwala, S.; Räsänen, S. S.; Rascanu, B. T.; Rathee, D.; Read, K. F.; Real, J. S.; Redlich, K.; Reed, R. J.; Rehman, A.; Reichelt, P.; Reidt, F.; Ren, X.; Renfordt, R.; Reolon, A. R.; Reshetin, A.; Rettig, F.; Revol, J.-P.; Reygers, K.; Riabov, V.; Ricci, R. A.; Richert, T.; Richter, M.; Riedler, P.; Riegler, W.; Riggi, F.; Ristea, C.; Rivetti, A.; Rocco, E.; Rodríguez Cahuantzi, M.; Rodriguez Manso, A.; Røed, K.; Rogochaya, E.; Rohr, D.; Röhrich, D.; Romita, R.; Ronchetti, F.; Ronflette, L.; Rosnet, P.; Rossi, A.; Roukoutakis, F.; Roy, A.; Roy, C.; Roy, P.; Rubio Montero, A. J.; Rui, R.; Russo, R.; Ryabinkin, E.; Ryabov, Y.; Rybicki, A.; Sadovsky, S.; Šafařík, K.; Sahlmuller, B.; Sahoo, P.; Sahoo, R.; Sahoo, S.; Sahu, P. K.; Saini, J.; Sakai, S.; Saleh, M. A.; Salgado, C. A.; Salzwedel, J.; Sambyal, S.; Samsonov, V.; Sanchez Castro, X.; Šándor, L.; Sandoval, A.; Sano, M.; Santagati, G.; Sarkar, D.; Scapparone, E.; Scarlassara, F.; Scharenberg, R. P.; Schiaua, C.; Schicker, R.; Schmidt, C.; Schmidt, H. R.; Schuchmann, S.; Schukraft, J.; Schulc, M.; Schuster, T.; Schutz, Y.; Schwarz, K.; Schweda, K.; Scioli, G.; Scomparin, E.; Scott, R.; Seeder, K. S.; Seger, J. E.; Sekiguchi, Y.; Sekihata, D.; Selyuzhenkov, I.; Senosi, K.; Seo, J.; Serradilla, E.; Sevcenco, A.; Shabanov, A.; Shabetai, A.; Shadura, O.; Shahoyan, R.; Shangaraev, A.; Sharma, A.; Sharma, N.; Shigaki, K.; Shtejer, K.; Sibiriak, Y.; Siddhanta, S.; Sielewicz, K. M.; Siemiarczuk, T.; Silvermyr, D.; Silvestre, C.; Simatovic, G.; Simonetti, G.; Singaraju, R.; Singh, R.; Singha, S.; Singhal, V.; Sinha, B. C.; Sinha, T.; Sitar, B.; Sitta, M.; Skaali, T. B.; Slupecki, M.; Smirnov, N.; Snellings, R. J. M.; Snellman, T. W.; Søgaard, C.; Soltz, R.; Song, J.; Song, M.; Song, Z.; Soramel, F.; Sorensen, S.; Spacek, M.; Spiriti, E.; Sputowska, I.; Spyropoulou-Stassinaki, M.; Srivastava, B. K.; Stachel, J.; Stan, I.; Stefanek, G.; Steinpreis, M.; Stenlund, E.; Steyn, G.; Stiller, J. H.; Stocco, D.; Strmen, P.; Suaide, A. A. P.; Sugitate, T.; Suire, C.; Suleymanov, M.; Sultanov, R.; Šumbera, M.; Symons, T. J. M.; Szabo, A.; Szanto de Toledo, A.; Szarka, I.; Szczepankiewicz, A.; Szymanski, M.; Takahashi, J.; Tanaka, N.; Tangaro, M. A.; Tapia Takaki, J. D.; Tarantola Peloni, A.; Tarhini, M.; Tariq, M.; Tarzila, M. G.; Tauro, A.; Tejeda Muñoz, G.; Telesca, A.; Terasaki, K.; Terrevoli, C.; Teyssier, B.; Thäder, J.; Thomas, D.; Tieulent, R.; Timmins, A. R.; Toia, A.; Trogolo, S.; Trubnikov, V.; Trzaska, W. H.; Tsuji, T.; Tumkin, A.; Turrisi, R.; Tveter, T. S.; Ullaland, K.; Uras, A.; Usai, G. L.; Utrobicic, A.; Vajzer, M.; Vala, M.; Valencia Palomo, L.; Vallero, S.; van der Maarel, J.; van Hoorne, J. W.; van Leeuwen, M.; Vanat, T.; Vande Vyvre, P.; Varga, D.; Vargas, A.; Vargyas, M.; Varma, R.; Vasileiou, M.; Vasiliev, A.; Vauthier, A.; Vechernin, V.; Veen, A. M.; Veldhoen, M.; Velure, A.; Venaruzzo, M.; Vercellin, E.; Vergara Limón, S.; Vernet, R.; Verweij, M.; Vickovic, L.; Viesti, G.; Viinikainen, J.; Vilakazi, Z.; Villalobos Baillie, O.; Vinogradov, A.; Vinogradov, L.; Vinogradov, Y.; Virgili, T.; Vislavicius, V.; Viyogi, Y. P.; Vodopyanov, A.; Völkl, M. A.; Voloshin, K.; Voloshin, S. A.; Volpe, G.; von Haller, B.; Vorobyev, I.; Vranic, D.; Vrláková, J.; Vulpescu, B.; Vyushin, A.; Wagner, B.; Wagner, J.; Wang, H.; Wang, M.; Wang, Y.; Watanabe, D.; Watanabe, Y.; Weber, M.; Weber, S. G.; Wessels, J. P.; Westerhoff, U.; Wiechula, J.; Wikne, J.; Wilde, M.; Wilk, G.; Wilkinson, J.; Williams, M. C. S.; Windelband, B.; Winn, M.; Yaldo, C. G.; Yang, H.; Yang, P.; Yano, S.; Yin, Z.; Yokoyama, H.; Yoo, I.-K.; Yurchenko, V.; Yushmanov, I.; Zaborowska, A.; Zaccolo, V.; Zaman, A.; Zampolli, C.; Zanoli, H. J. C.; Zaporozhets, S.; Zardoshti, N.; Zarochentsev, A.; Závada, P.; Zaviyalov, N.; Zbroszczyk, H.; Zgura, I. S.; Zhalov, M.; Zhang, H.; Zhang, X.; Zhang, Y.; Zhao, C.; Zhigareva, N.; Zhou, D.; Zhou, Y.; Zhou, Z.; Zhu, H.; Zhu, J.; Zhu, X.; Zichichi, A.; Zimmermann, A.; Zimmermann, M. B.; Zinovjev, G.; Zyzak, M.; Alice Collaboration

2015-11-01

The size of the particle emission region in high-energy collisions can be deduced using the femtoscopic correlations of particle pairs at low relative momentum. Such correlations arise due to quantum statistics and Coulomb and strong final state interactions. In this paper, results are presented from femtoscopic analyses of π±π±,K±K±,KS0KS0,p p , and p ¯p ¯ correlations from Pb-Pb collisions at √{sNN}=2.76 TeV by the ALICE experiment at the LHC. One-dimensional radii of the system are extracted from correlation functions in terms of the invariant momentum difference of the pair. The comparison of the measured radii with the predictions from a hydrokinetic model is discussed. The pion and kaon source radii display a monotonic decrease with increasing average pair transverse mass mT which is consistent with hydrodynamic model predictions for central collisions. The kaon and proton source sizes can be reasonably described by approximate mT scaling.

Energy efficiency and greenhouse gas emission intensity of petroleum products at U.S. refineries.

PubMed

Elgowainy, Amgad; Han, Jeongwoo; Cai, Hao; Wang, Michael; Forman, Grant S; DiVita, Vincent B

2014-07-01

This paper describes the development of (1) a formula correlating the variation in overall refinery energy efficiency with crude quality, refinery complexity, and product slate; and (2) a methodology for calculating energy and greenhouse gas (GHG) emission intensities and processing fuel shares of major U.S. refinery products. Overall refinery energy efficiency is the ratio of the energy present in all product streams divided by the energy in all input streams. Using linear programming (LP) modeling of the various refinery processing units, we analyzed 43 refineries that process 70% of total crude input to U.S. refineries and cover the largest four Petroleum Administration for Defense District (PADD) regions (I, II, III, V). Based on the allocation of process energy among products at the process unit level, the weighted-average product-specific energy efficiencies (and ranges) are estimated to be 88.6% (86.2%-91.2%) for gasoline, 90.9% (84.8%-94.5%) for diesel, 95.3% (93.0%-97.5%) for jet fuel, 94.5% (91.6%-96.2%) for residual fuel oil (RFO), and 90.8% (88.0%-94.3%) for liquefied petroleum gas (LPG). The corresponding weighted-average, production GHG emission intensities (and ranges) (in grams of carbon dioxide-equivalent (CO2e) per megajoule (MJ)) are estimated to be 7.8 (6.2-9.8) for gasoline, 4.9 (2.7-9.9) for diesel, 2.3 (0.9-4.4) for jet fuel, 3.4 (1.5-6.9) for RFO, and 6.6 (4.3-9.2) for LPG. The findings of this study are key components of the life-cycle assessment of GHG emissions associated with various petroleum fuels; such assessment is the centerpiece of legislation developed and promulgated by government agencies in the United States and abroad to reduce GHG emissions and abate global warming.

Panchromatic spectral energy distributions of simulated galaxies: results at redshift z = 0

NASA Astrophysics Data System (ADS)

Goz, David; Monaco, Pierluigi; Granato, Gian Luigi; Murante, Giuseppe; Domínguez-Tenreiro, Rosa; Obreja, Aura; Annunziatella, Marianna; Tescari, Edoardo

2017-08-01

We present predictions of spectral energy distributions (SEDs), from the UV to the FIR, of simulated galaxies at z = 0. These were obtained by post-processing the results of an N-body+hydro simulation of a cosmological box of side 25 Mpc, which uses the Multi-Phase Particle Integrator (MUPPI) for star formation and stellar feedback, with the grasil-3d radiative transfer code that includes reprocessing of UV light by dust. Physical properties of our sample of ˜500 galaxies resemble observed ones, though with some tension at small and large stellar masses. Comparing predicted SEDs of simulated galaxies with different samples of local galaxies, we find that these resemble observed ones, when normalized at 3.6 μm. A comparison with the Herschel Reference Survey shows that the average SEDs of galaxies, divided in bins of star formation rate (SFR), are reproduced in shape and absolute normalization to within a factor of ˜2, while average SEDs of galaxies divided in bins of stellar mass show tensions that are an effect of the difference of simulated and observed galaxies in the stellar mass-SFR plane. We use our sample to investigate the correlation of IR luminosity in Spitzer and Herschel bands with several galaxy properties. SFR is the quantity that best correlates with IR light up to 160 μm, while at longer wavelengths better correlations are found with molecular mass and, at 500 μm, with dust mass. However, using the position of the FIR peak as a proxy for cold dust temperature, we assess that heating of cold dust is mostly determined by SFR, with stellar mass giving only a minor contribution. We finally show how our sample of simulated galaxies can be used as a guide to understand the physical properties and selection biases of observed samples.

Correlation between large-scale atmospheric fields and the olive pollen season in Central Italy

NASA Astrophysics Data System (ADS)

Avolio, E.; Pasqualoni, L.; Federico, S.; Fornaciari, M.; Bonofiglio, T.; Orlandi, F.; Bellecci, C.; Romano, B.

2008-11-01

Olives are one of the largest crops in the Mediterranean and in central and southern Italy. This work investigates the correlation of the Olea europaea L. pollen season in Perugia, the capital city of the region of Umbria in central Italy, with atmospheric parameters. The aim of the study is twofold. First, we study the correlation between the pollen season and the surface air temperature of the spring and late spring in Perugia. Second, the correlation between the pollen season and large-scale atmospheric patterns is investigated. The average surface temperature in the spring and late spring has a clear impact on the pollen season in Perugia. Years with higher average temperatures have an earlier onset of the pollen season. In particular, a 1°C higher (lower) average surface temperature corresponds to an earlier (later) start of the pollen season of about 1 week. The correlation between the pollen season and large-scale atmospheric patterns of sea level pressure and 500-hPa geopotential height shows that the cyclonic activity in the Mediterranean is unequivocally tied to the pollen season in Perugia. A larger than average cyclonic activity in the Mediterranean Basin corresponds to a later than average pollen season. Larger than average cyclonic activity in Northern Europe and Siberia corresponds to an earlier than average pollen season. A possible explanation of this correlation, that needs further investigation to be proven, is given. These results can have a practical application by using the seasonal forecast of atmospheric general circulation models.

Physical Activity Assessment with the ActiGraph GT3X and Doubly Labeled Water.

PubMed

Chomistek, Andrea K; Yuan, Changzheng; Matthews, Charles E; Troiano, Richard P; Bowles, Heather R; Rood, Jennifer; Barnett, Junaidah B; Willett, Walter C; Rimm, Eric B; Bassett, David R

2017-09-01

To compare the degree to which four accelerometer metrics-total activity counts per day (TAC per day), steps per day (steps per day), physical activity energy expenditure (PAEE) (kcal·kg·d), and moderate- to vigorous-intensity physical activity (MVPA) (min·d)-were correlated with PAEE measured by doubly labeled water (DLW). Additionally, accelerometer metrics based on vertical axis counts and triaxial counts were compared. This analysis included 684 women and 611 men age 43 to 83 yr. Participants wore the Actigraph GT3X on the hip for 7 d twice during the study and the average of the two measurements was used. Each participant also completed one DLW measurement, with a subset having a repeat. PAEE was estimated by subtracting resting metabolic rate and the thermic effect of food from total daily energy expenditure estimated by DLW. Partial Spearman correlations were used to estimate associations between PAEE and each accelerometer metric. Correlations between the accelerometer metrics and DLW-determined PAEE were higher for triaxial counts than vertical axis counts. After adjusting for weight, age, accelerometer wear time, and fat free mass, the correlation between TAC per day based on triaxial counts and DLW-determined PAEE was 0.44 in women and 0.41 in men. Correlations for steps per day and accelerometer-estimated PAEE with DLW-determined PAEE were similar. After adjustment for within-person variation in DLW-determined PAEE, the correlations for TAC per day increased to 0.61 and 0.49, respectively. Correlations between MVPA and DLW-determined PAEE were lower, particularly for modified bouts of ≥10 min. Accelerometer measures that represent total activity volume, including TAC per day, steps per day, and PAEE, were more highly correlated with DLW-determined PAEE than MVPA using traditional thresholds and should be considered by researchers seeking to reduce accelerometer data to a single metric.

Adherence to the Mediterranean Diet and Circulating Levels of Sirtuin 4 in Obese Patients: A Novel Association

PubMed Central

Barrea, Luigi; Somma, Carolina Di; Muscogiuri, Giovanna; Macchia, Paolo Emidio; Falco, Andrea; Colao, Annamaria; Savastano, Silvia

2017-01-01

Purpose This study was aimed at evaluating sirtuin 4 (Sirt4) levels in obese individuals, in relation to their adherence to the Mediterranean diet (MD), a healthy dietary pattern characterized by high antioxidant capacity, and markers of visceral fat storage. Subjects/Methods Forty-three obese patients (44% males; BMI: 36.7–58.8 kg/m2) were consecutively included. PREvención con DIeta MEDiterránea (PREDIMED) and the 7-day food records were used to assess the adherence to MD and dietary pattern, respectively. Visceral adiposity index (VAI) was calculated. Sirt4 levels were detected by ELISA method. Results The majority of the obese participants (62.8%) had an average adherence to MD. Compared with average adherers, low adherers had higher BMI, energy intake, and percentage of energy from lipids, mainly saturated fat and polyunsaturated fatty acids (PUFA), and lower Sirt4 levels. After adjusting for BMI, Sirt4 levels remained negatively correlated with VAI. After adjusting for total energy intake, Sirt4 levels remained negatively associated with PREDIMED and consumption of n-3 PUFA, vitamins C and E. The threshold value of PREDIMED predicting the lowest decrease in Sirt4 levels was found at a score of 6. Conclusions Less reduced Sirt4 levels in obese patients adhering to MD suggest a further aspect of the antioxidant advantage of MD. PMID:28706576

Adherence to the Mediterranean Diet and Circulating Levels of Sirtuin 4 in Obese Patients: A Novel Association.

PubMed

Barrea, Luigi; Tarantino, Giovanni; Somma, Carolina Di; Muscogiuri, Giovanna; Macchia, Paolo Emidio; Falco, Andrea; Colao, Annamaria; Savastano, Silvia

2017-01-01

This study was aimed at evaluating sirtuin 4 (Sirt4) levels in obese individuals, in relation to their adherence to the Mediterranean diet (MD), a healthy dietary pattern characterized by high antioxidant capacity, and markers of visceral fat storage. Forty-three obese patients (44% males; BMI: 36.7-58.8 kg/m 2 ) were consecutively included. PREvención con DIeta MEDiterránea (PREDIMED) and the 7-day food records were used to assess the adherence to MD and dietary pattern, respectively. Visceral adiposity index (VAI) was calculated. Sirt4 levels were detected by ELISA method. The majority of the obese participants (62.8%) had an average adherence to MD. Compared with average adherers, low adherers had higher BMI, energy intake, and percentage of energy from lipids, mainly saturated fat and polyunsaturated fatty acids (PUFA), and lower Sirt4 levels. After adjusting for BMI, Sirt4 levels remained negatively correlated with VAI. After adjusting for total energy intake, Sirt4 levels remained negatively associated with PREDIMED and consumption of n-3 PUFA, vitamins C and E. The threshold value of PREDIMED predicting the lowest decrease in Sirt4 levels was found at a score of 6. Less reduced Sirt4 levels in obese patients adhering to MD suggest a further aspect of the antioxidant advantage of MD.

In silico evolution of the Drosophila gap gene regulatory sequence under elevated mutational pressure.

PubMed

Chertkova, Aleksandra A; Schiffman, Joshua S; Nuzhdin, Sergey V; Kozlov, Konstantin N; Samsonova, Maria G; Gursky, Vitaly V

2017-02-07

Cis-regulatory sequences are often composed of many low-affinity transcription factor binding sites (TFBSs). Determining the evolutionary and functional importance of regulatory sequence composition is impeded without a detailed knowledge of the genotype-phenotype map. We simulate the evolution of regulatory sequences involved in Drosophila melanogaster embryo segmentation during early development. Natural selection evaluates gene expression dynamics produced by a computational model of the developmental network. We observe a dramatic decrease in the total number of transcription factor binding sites through the course of evolution. Despite a decrease in average sequence binding energies through time, the regulatory sequences tend towards organisations containing increased high affinity transcription factor binding sites. Additionally, the binding energies of separate sequence segments demonstrate ubiquitous mutual correlations through time. Fewer than 10% of initial TFBSs are maintained throughout the entire simulation, deemed 'core' sites. These sites have increased functional importance as assessed under wild-type conditions and their binding energy distributions are highly conserved. Furthermore, TFBSs within close proximity of core sites exhibit increased longevity, reflecting functional regulatory interactions with core sites. In response to elevated mutational pressure, evolution tends to sample regulatory sequence organisations with fewer, albeit on average, stronger functional transcription factor binding sites. These organisations are also shaped by the regulatory interactions among core binding sites with sites in their local vicinity.

Two-particle Bose-Einstein correlations in pp collisions at [Formula: see text] 0.9 and 7 TeV measured with the ATLAS detector.

PubMed

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Yoshihara, K; Young, C; Young, C J S; Youssef, S; Yu, D R; Yu, J; Yu, J M; Yu, J; Yuan, L; Yurkewicz, A; Yusuff, I; Zabinski, B; Zaidan, R; Zaitsev, A M; Zaman, A; Zambito, S; Zanello, L; Zanzi, D; Zeitnitz, C; Zeman, M; Zemla, A; Zengel, K; Zenin, O; Ženiš, T; Zerwas, D; Zevi Della Porta, G; Zhang, D; Zhang, F; Zhang, H; Zhang, J; Zhang, L; Zhang, X; Zhang, Z; Zhao, Z; Zhemchugov, A; Zhong, J; Zhou, B; Zhou, L; Zhou, N; Zhu, C G; Zhu, H; Zhu, J; Zhu, Y; Zhuang, X; Zhukov, K; Zibell, A; Zieminska, D; Zimine, N I; Zimmermann, C; Zimmermann, R; Zimmermann, S; Zimmermann, S; Zinonos, Z; Ziolkowski, M; Zobernig, G; Zoccoli, A; Zur Nedden, M; Zurzolo, G; Zutshi, V; Zwalinski, L

The paper presents studies of Bose-Einstein Correlations (BEC) for pairs of like-sign charged particles measured in the kinematic range [Formula: see text] 100 MeV and [Formula: see text] 2.5 in proton collisions at centre-of-mass energies of 0.9 and 7 TeV with the ATLAS detector at the CERN Large Hadron Collider. The integrated luminosities are approximately 7 [Formula: see text]b[Formula: see text], 190 [Formula: see text]b[Formula: see text] and 12.4 nb[Formula: see text] for 0.9 TeV, 7 TeV minimum-bias and 7 TeV high-multiplicity data samples, respectively. The multiplicity dependence of the BEC parameters characterizing the correlation strength and the correlation source size are investigated for charged-particle multiplicities of up to 240. A saturation effect in the multiplicity dependence of the correlation source size parameter is observed using the high-multiplicity 7 TeV data sample. The dependence of the BEC parameters on the average transverse momentum of the particle pair is also investigated.

The energy confinement response of DIII-D plasmas to Resonant Magnetic Perturbations

DOE PAGES

Cui, L.; Nazikian, Raffi; Grierson, B. A.; ...

2017-07-11

Here, Resonant Magnetic Perturbations (RMPs) are a leading method for edge localized modes (ELMs) Control in fusion plasmas. However they can also cause a rapid degradation in energy confinement. In this paper we show that the energy confinement in low collisionality (v* e < 0.3) DIII-D ITER Similar Shape (ISS) plasmas often recovers after several energy confinement times for RMP amplitudes up to the threshold for ELM suppression. Immediately following the application of the RMP, the plasma stored energy decreases in proportion to the decrease in the line-averaged density during density "pump-out". Later in the discharge confinement recovery is observedmore » in the thermal ion channel and is correlated with the increase in the ion temperature at the top of the H-mode pedestal. A correlation between the inverse scale length of the ion temperature (α/L Ti) and the E x B shearing rate at the top of the pedestal is seen during the confinement recovery phase. Transport analysis reveals that the confinement improvement in the ion channel results from the self-similarity in the ion temperature profiles in the plasma core combined with the observed increase in α/L Ti in the plasma edge following density pump-out. In contrast the electron temperature scale length (α/L Ti) remains essentially unchanged in response to the application of the RMP. At significantly higher RMP levels the edge EXB shearing rate and α/L Ti does not increase and the confinement does not recover following density pump-out.« less

Measures of physical activity and their correlates: the Swedish National March Cohort.

PubMed

Lagerros, Ylva Trolle; Bellocco, Rino; Adami, Hans-Olov; Nyrén, Olof

2009-01-01

We compared the results of self-estimates of physical activity obtained with a novel instrument (the Energy Expenditure Questionnaire, EEQ) to those obtained from questions typically asked in epidemiological investigations (reference method) in a cohort of 42,150 Swedish men and women, aged 18-94. In the EEQ, participants were asked to report total physical activity by estimating the total time during a typical day and night spent on different physical activity intensity levels from the lowest (corresponding to lying in bed, 0.9 Metabolic Energy Turnover; MET) to the highest, (exceeding the intensity of to shovelling snow by hand, i.e., >6 MET). As a comparison, they also estimated hours per week devoted to household chores, commuting and leisure time physical activities classified as; light, moderate and heavy. The average physical activity estimated with the EEQ was 1.36 MET or 32.6 METh/day or 2,341 kcal/day. In comparison, physical activity estimated with the reference method represented no more than 17% of this amount. The Spearman's correlation coefficient between the two measures was 0.26. Using EEQ, men reported significantly more physical activity than women (mean = 36.3 vs. 30.6 METh/day). Body mass index (BMI) > or = 25, education > or = 12 years, and age > or = 60 years were significantly associated with lower physical activity. Questions focusing on leisure time exercise and a few other selected activities provide estimates of activity that correlate poorly with self-reported total energy output from all physical activity and inactivity. Investigators need to be more explicit about which component of activity they investigate.

The Impact of Strong Climate Change on Inter-state Balancing in a Fully-renewable Simplified European Electricity System

NASA Astrophysics Data System (ADS)

Wohland, Jan; Witthaut, Dirk

2017-04-01

Electricity systems with a high penetration of renewables are strongly affected by weather patterns. Due to the variability of the climate system, a substantial fraction of energy supply needs to be provided by dispatchable power plants even if the consumption is on average balanced by renewables (e.g. Rodriguez et al. [2014]). In an interconnected system like the European electricity grid, benefits can arise from balancing generation mismatches spatially as long as overproduction in one region coincides with lack of generation in another region. These benefits might change as the climate changes and we thus investigate alterations of correlations between wind timeseries and Backup energy requirements. Our analysis is based on a five member model-ensemble from the EUROCORDEX initiative and we focus on onshore wind energy. We use the highest temporal (3h) and spatial (0.11°) resolution available to capture the intermittent and spatially diverse nature of renewable generation. In view of inter-model spread and other uncertainties, we use the strong climate change scenario rcp8.5 in order to obtain a high signal-to-noise ratio. We argue that rcp8.5 is best suited to reveal interesting interactions between climate change and renewable electricity system despite the fact that is in contradiction to the UNFCCC temperature goals (e.g. Schleussner et al. [2016]). We report spatially inhomogeneous alterations of correlations. In particular, we find increasing correlations between central and northern European states and decreasing correlations at the south-western and south-eastern margins of Europe. This hints to a lowering of balancing potentials within central and northern Europe due to climate change. A possible explanation might be associated to polar amplification and increasing frequencies of blocking events (Coumou [2015]). Moreover, we compute wind energy generation using a single-turbine model and a semi-random deployment procedure as developed in Monforti et al. [2016]. In combination with ENTSO-E load data and validated solar generation timeseries from Renewable Ninja (Pfenninger and Staffell [2016]), we calculate backup energy needs in Europe and analyze the potential of cooperation between countries to lower them. We find increases in European backup energy needs throughout the 21st century which are robust across the 5 climate models considered.

Statistical functions and relevant correlation coefficients of clearness index

NASA Astrophysics Data System (ADS)

Pavanello, Diego; Zaaiman, Willem; Colli, Alessandra; Heiser, John; Smith, Scott

2015-08-01

This article presents a statistical analysis of the sky conditions, during years from 2010 to 2012, for three different locations: the Joint Research Centre site in Ispra (Italy, European Solar Test Installation - ESTI laboratories), the site of National Renewable Energy Laboratory in Golden (Colorado, USA) and the site of Brookhaven National Laboratories in Upton (New York, USA). The key parameter is the clearness index kT, a dimensionless expression of the global irradiance impinging upon a horizontal surface at a given instant of time. In the first part, the sky conditions are characterized using daily averages, giving a general overview of the three sites. In the second part the analysis is performed using data sets with a short-term resolution of 1 sample per minute, demonstrating remarkable properties of the statistical distributions of the clearness index, reinforced by a proof using fuzzy logic methods. Successively some time-dependent correlations between different meteorological variables are presented in terms of Pearson and Spearman correlation coefficients, and introducing a new one.

Peculiarities of the momentum distribution functions of strongly correlated charged fermions

NASA Astrophysics Data System (ADS)

Larkin, A. S.; Filinov, V. S.; Fortov, V. E.

2018-01-01

New numerical version of the Wigner approach to quantum thermodynamics of strongly coupled systems of particles has been developed for extreme conditions, when analytical approximations based on different kinds of perturbation theories cannot be applied. An explicit analytical expression of the Wigner function has been obtained in linear and harmonic approximations. Fermi statistical effects are accounted for by effective pair pseudopotential depending on coordinates, momenta and degeneracy parameter of particles and taking into account Pauli blocking of fermions. A new quantum Monte-Carlo method for calculations of average values of arbitrary quantum operators has been developed. Calculations of the momentum distribution functions and the pair correlation functions of degenerate ideal Fermi gas have been carried out for testing the developed approach. Comparison of the obtained momentum distribution functions of strongly correlated Coulomb systems with the Maxwell-Boltzmann and the Fermi distributions shows the significant influence of interparticle interaction both at small momenta and in high energy quantum ‘tails’.

Thermodynamic scaling of glassy dynamics and dynamic heterogeneities in metallic glass-forming liquid

NASA Astrophysics Data System (ADS)

Hu, Yuan-Chao; Shang, Bao-Shuang; Guan, Peng-Fei; Yang, Yong; Bai, Hai-Yang; Wang, Wei-Hua

2016-09-01

A ternary metallic glass-forming liquid is found to be not strongly correlating thermodynamically, but its average dynamics, dynamic heterogeneities including the high order dynamic correlation length, and static structure are still well described by thermodynamic scaling with the same scaling exponent γ. This may indicate that the metallic liquid could be treated as a single-parameter liquid. As an intrinsic material constant stemming from the fundamental interatomic interactions, γ is theoretically predicted from the thermodynamic fluctuations of the potential energy and the virial. Although γ is conventionally understood merely from the repulsive part of the inter-particle potentials, the strong correlation between γ and the Grüneisen parameter up to the accuracy of the Dulong-Petit approximation demonstrates the important roles of anharmonicity and attractive force of the interatomic potential in governing glass transition of metallic glassformers. These findings may shed light on how to understand metallic glass formation from the fundamental interatomic interactions.

Regional warming of hot extremes accelerated by surface energy fluxes consistent with drying soils

NASA Astrophysics Data System (ADS)

Donat, M.; Pitman, A.; Seneviratne, S. I.

2017-12-01

Strong regional differences exist in how hot temperature extremes increase under global warming. Using an ensemble of coupled climate models, we examine the regional warming rates of hot extremes relative to annual average warming rates in the same regions. We identify hotspots of accelerated warming of model-simulated hot extremes in Europe, North America, South America and Southeast China. These hotspots indicate where the warm tail of a distribution of temperatures increases faster than the average and are robust across most CMIP5 models. Exploring the conditions on the specific day the hot extreme occurs demonstrates the hotspots are explained by changes in the surface energy fluxes consistent with drying soils. Furthermore, in these hotspot regions we find a relationship between the temperature - heat flux correlation under current climate conditions and the magnitude of future projected changes in hot extremes, pointing to a potential emergent constraint for simulations of future hot extremes. However, the model-simulated accelerated warming of hot extremes appears inconsistent with observations of the past 60 years, except over Europe. The simulated acceleration of hot extremes may therefore be unreliable, a result that necessitates a re-evaluation of how climate models resolve the relevant terrestrial processes.

Electricity Consumption Risk Map - The use of Urban Climate Mapping for smarter analysis: Case study for Birmingham, UK.

NASA Astrophysics Data System (ADS)

Antunes Azevedo, Juliana; Burghardt, René; Chapman, Lee; Katzchner, Lutz; Muller, Catherine L.

2015-04-01

Climate is a key driving factor in energy consumption. However, income, vegetation, building mass structure, topography also impact on the amount of energy consumption. In a changing climate, increased temperatures are likely to lead to increased electricity consumption, affecting demand, distribution and generation. Furthermore, as the world population becomes more urbanized, increasing numbers of people will need to deal with not only increased temperatures from climate change, but also from the unintentional modification of the urban climate in the form of urban heat islands. Hence, climate and climate change needs to be taken into account for future urban planning aspects to increase the climate and energy resilience of the community and decrease the future social and economic costs. Geographical Information Systems provide a means to create urban climate maps as part of the urban planning process. Geostatistical analyses linking these maps with demographic and social data, enables a geo-statistical analysis to identify linkages to high-risk groups of the community and vulnerable areas of town and cities. Presently, the climatope classification is oriented towards thermal aspects and the ventilation quality (roughness) of the urban areas but can also be adapted to take into account other structural "environmental factors". This study aims to use the climatope approach to predict areas of potential high electricity consumption in Birmingham, UK. Several datasets were used to produce an average surface temperature map, vegetation map, land use map, topography map, building height map, built-up area roughness calculations, an average air temperature map and a domestic electricity consumption map. From the correlations obtained between the layers it is possible to average the importance of each factor and create a map for domestic electricity consumption to understand the influence of environmental aspects on spatial energy consumption. Based on these results city planners and local authorities can guide their directives and policies towards electricity consumption, demand, generation and distribution.

Drivers of Turbulence in the Neutral Interstellar Medium of Dwarf Galaxies

NASA Astrophysics Data System (ADS)

Stilp, Adrienne M.

The cause of HI velocity dispersions in the interstellar medium (ISM) of galaxies is often attributed to star formation, but recent evidence has shown these two quantities are not connected in regions of low star formation. This lack of connection is most apparent in dwarf galaxies and the outer disks of spiral galaxies. However, unique data sets have recently been collected that can help address this discrepancy. The ACS Nearby Survey Treasury Project (ANGST) has measured time-resolved star formation histories (SFHs) in ˜ 70 nearby galaxies. The followup Very Large Array-ANGST survey (VLA-ANGST) provides complementary HI observations of a subset of ANGST galaxies. In this thesis, I explore the connection between star formation and HI kinematics in a number of nearby dwarf galaxies. I first present the Very Large Array-ACS Nearby Galaxy Survey Treasury Project (ANGST). VLA-ANGST was designed to provide high spatial and velocity resolution observations of the HI component of the interstellar medium (ISM) in ANGST galaxies. I describe the data calibration and imaging procedures, and then present the publicly-available data products. The observations from this survey and from The HI Nearby Galaxy Survey (THINGS) comprise the majority of data in my thesis. Using VLA-ANGST and THINGS data, I present a method to measure the average HI kinematics in a number of nearby dwarf galaxies by co-adding individual line-of-sight profiles. These "superprofiles" are composed of a central narrow peak (˜ 6-10 km s-1) with higher velocity wings to either side. When scaled to the same half-width half-maximum, the shapes of the superprofiles are very similar. I interpret the central peak as representative of the average turbulent motion; the wings are then due to HI moving faster than expected compared to the average kinematics. I then compare the superprofile parameters to physical properties such as mass surface density and star formation intensity. The average velocity dispersion correlate most strongly with HI surface density, and do not show correlations with star formation intensity unless higher mass galaxies were included. The properties of the wings are more connected with star formation. By applying energy arguments, I determine that star formation can provide enough energy to drive the HI kinematics over ˜ 10 Myr timescales, while a gravitational instability cannot. I then extend this analysis to spatially-resolved scales in these galaxies, and generated superprofiles in regions determined by radius or by star formation intensity. These superprofiles provide a more direct comparison between H I kinematics and local ISM properties compared to the analysis on global scales. The spatially-resolved superprofiles indicate that star formation does not uniquely determine the HI velocity dispersion, but it does appear to provide a lower floor below which velocity dispersions cannot fall. I also find that the coupling efficiency between star formation and HI kinematics decreases with increasing star formation surface density, which may indicate that star formation energy couples more consistently to other phases of the ISM. I finally explore the timescale over which HI responds to star formation using a combination of VLA-ANGST, THINGS, and ANGST data. Using time-resolved SFHs from ANGST, I measure the average star formation rate as a function of time and compared it to present-day HI kinematics. I find that the HI kinematics are most strongly correlated with star formation that occurred ˜ 30 -- 40 Myr ago, which supports the idea that supernova explosions are one driver of HI kinematics even in low star formation systems.

A Multiwavelength Study of Flaring Activity in the High-energy Peaked BL Lac Object 1ES 1959+650 During 2015–2016

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

Kaur, Navpreet; Chandra, S.; Baliyan, Kiran S

We present the results from a multiwavelength study of the flaring activity in the high-energy peaked BL Lac object 1ES 1959+650 during 2015 January–2016 June. The source underwent two major outbursts, during 2015 March and 2015 October, across the whole electromagnetic spectrum (EMS). We used data from Fermi -LAT and Swift -XRT/UVOT, and optical data from Mt. Abu InfraRed Observatory and Steward Observatory to look for possible correlations between the emissions at different energies and the nature of the variability during the flaring state. During the 2015 October outburst, the nightly averaged V -band brightest magnitude, 14.45(0.03), and faintest magnitude,more » 14.45(0.03), were recorded. Apart from long-term flares, rapid and short-term variabilities were noticed at all energies. Our study suggests that the flaring activities at all frequencies, with diverse flare durations and time lags, are correlated. The magnetic field strength is estimated to be 4 G using the synchrotron-cooling timescale (2.3 hr), and the upper limits on the sizes of both emission regions, γ -ray and optical, are estimated to be of the order of 10{sup 16} cm. The quasi-simultaneous flux enhancements in 15 GHz and VHE γ -ray emissions indicate a fresh injection of plasma into the jet, which interacts with a standing submillimeter core, resulting in co-spatial emissions across the EMS. The synchrotron peak shifts to higher frequency in the spectral energy distribution while the γ -ray spectra softens during the flaring. The shape of the inverse-Compton spectra indicates a change in the particle energy distribution pre- and post-flare.« less

A Multiwavelength Study of Flaring Activity in the High-energy Peaked BL Lac Object 1ES 1959+650 During 2015-2016

NASA Astrophysics Data System (ADS)

Kaur, Navpreet; Chandra, S.; Baliyan, Kiran S.; Sameer; Ganesh, S.

2017-09-01

We present the results from a multiwavelength study of the flaring activity in the high-energy peaked BL Lac object 1ES 1959+650 during 2015 January-2016 June. The source underwent two major outbursts, during 2015 March and 2015 October, across the whole electromagnetic spectrum (EMS). We used data from Fermi-LAT and Swift-XRT/UVOT, and optical data from Mt. Abu InfraRed Observatory and Steward Observatory to look for possible correlations between the emissions at different energies and the nature of the variability during the flaring state. During the 2015 October outburst, the nightly averaged V-band brightest magnitude, 14.45(0.03), and faintest magnitude, 14.45(0.03), were recorded. Apart from long-term flares, rapid and short-term variabilities were noticed at all energies. Our study suggests that the flaring activities at all frequencies, with diverse flare durations and time lags, are correlated. The magnetic field strength is estimated to be 4 G using the synchrotron-cooling timescale (2.3 hr), and the upper limits on the sizes of both emission regions, γ-ray and optical, are estimated to be of the order of 1016 cm. The quasi-simultaneous flux enhancements in 15 GHz and VHE γ-ray emissions indicate a fresh injection of plasma into the jet, which interacts with a standing submillimeter core, resulting in co-spatial emissions across the EMS. The synchrotron peak shifts to higher frequency in the spectral energy distribution while the γ-ray spectra softens during the flaring. The shape of the inverse-Compton spectra indicates a change in the particle energy distribution pre- and post-flare.

Analytic computation of average energy of neutrons inducing fission

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

Clark, Alexander Rich

2016-08-12

The objective of this report is to describe how I analytically computed the average energy of neutrons that induce fission in the bare BeRP ball. The motivation of this report is to resolve a discrepancy between the average energy computed via the FMULT and F4/FM cards in MCNP6 by comparison to the analytic results.

The Accuracy of Stated Energy Contents of Reduced-Energy, Commercially Prepared Foods

PubMed Central

Urban, Lorien E.; Dallal, Gerard E.; Robinson, Lisa M.; Ausman, Lynne M.; Saltzman, Edward; Roberts, Susan B.

2010-01-01

The accuracy of stated energy contents of reduced-energy restaurant foods and frozen meals purchased from supermarkets was evaluated. Measured energy values of 29 quick-serve and sit-down restaurant foods averaged 18% more than stated values, and measured energy values of 10 frozen meals purchased from supermarkets averaged 8% more than originally stated. These differences substantially exceeded laboratory measurement error but did not achieve statistical significance due to considerable variability in the degree of underreporting. Some individual restaurant items contained up to 200% of stated values and, in addition, free side dishes increased provided energy to an average of 245% of stated values for the entrees they accompanied. These findings suggest that stated energy contents of reduced-energy meals obtained from restaurants and supermarkets are not consistently accurate, and in this study averaged more than measured values, especially when free side dishes were taken into account. If widespread, this phenomenon could hamper efforts to self-monitor energy intake to control weight, and could also reduce the potential benefit of recent policy initiatives to disseminate information on food energy content at the point of purchase. PMID:20102837

Fusion and quasifission studies for the 40Ca+186W,192Os reactions

NASA Astrophysics Data System (ADS)

Prasad, E.; Hinde, D. J.; Williams, E.; Dasgupta, M.; Carter, I. P.; Cook, K. J.; Jeung, D. Y.; Luong, D. H.; Palshetkar, C. S.; Rafferty, D. C.; Ramachandran, K.; Simenel, C.; Wakhle, A.

2017-09-01

Background: All elements above atomic number 113 have been synthesized using hot fusion reactions with calcium beams on statically deformed actinide target nuclei. Quasifission and fusion-fission are the two major mechanisms responsible for the very low production cross sections of superheavy elements. Purpose: To achieve a quantitative measurement of capture and quasifission characteristics as a function of beam energy in reactions forming heavy compound systems using calcium beams as projectiles. Methods: Fission fragment mass-angle distributions were measured for the two reactions 40Ca+186W and 40C+192Os, populating 226Pu and 232Cm compound nuclei, respectively, using the Heavy Ion Accelerator Facility and CUBE spectrometer at the Australian National University. Mass ratio distributions, angular distributions, and total fission cross sections were obtained from the experimental data. Simulations to match the features of the experimental mass-angle distributions were performed using a classical phenomenological approach. Results: Both 40Ca+186W and 40C+192Os reactions show strong mass-angle correlations at all energies measured. A maximum fusion probability of 60 -70 % is estimated for the two reactions in the energy range of the present study. Coupled-channels calculations assuming standard Woods-Saxon potential parameters overpredict the capture cross sections. Large nuclear potential diffuseness parameters ˜1.5 fm are required to fit the total capture cross sections. The presence of a weak mass-asymmetric quasifission component attributed to the higher angular momentum events can be reproduced with a shorter average sticking time but longer mass-equilibration time constant. Conclusions: The deduced above-barrier capture cross sections suggest that the dissipative processes are already occurring outside the capture barrier. The mass-angle correlations indicate that a compact shape is not achieved for deformation aligned collisions with lower capture barriers. The average sticking time of fast quasifission events is 10-20 s.

Crab Nebula: Five-year Observation with ARGO-YBJ

NASA Astrophysics Data System (ADS)

Bartoli, B.; Bernardini, P.; Bi, X. J.; Branchini, P.; Budano, A.; Camarri, P.; Cao, Z.; Cardarelli, R.; Catalanotti, S.; Chen, S. Z.; Chen, T. L.; Creti, P.; Cui, S. W.; Dai, B. Z.; D'Amone, A.; Danzengluobu; De Mitri, I.; D'Ettorre Piazzoli, B.; Di Girolamo, T.; Di Sciascio, G.; Feng, C. F.; Feng, Zhaoyang; Feng, Zhenyong; Gou, Q. B.; Guo, Y. Q.; He, H. H.; Hu, Haibing; Hu, Hongbo; Iacovacci, M.; Iuppa, R.; Jia, H. Y.; Labaciren; Li, H. J.; Liguori, G.; Liu, C.; Liu, J.; Liu, M. Y.; Lu, H.; Ma, L. L.; Ma, X. H.; Mancarella, G.; Mari, S. M.; Marsella, G.; Martello, D.; Mastroianni, S.; Montini, P.; Ning, C. C.; Panareo, M.; Perrone, L.; Pistilli, P.; Ruggieri, F.; Salvini, P.; Santonico, R.; Shen, P. R.; Sheng, X. D.; Shi, F.; Surdo, A.; Tan, Y. H.; Vallania, P.; Vernetto, S.; Vigorito, C.; Wang, H.; Wu, C. Y.; Wu, H. R.; Xue, L.; Yang, Q. Y.; Yang, X. C.; Yao, Z. G.; Yuan, A. F.; Zha, M.; Zhang, H. M.; Zhang, L.; Zhang, X. Y.; Zhang, Y.; Zhao, J.; Zhaxiciren; Zhaxisangzhu; Zhou, X. X.; Zhu, F. R.; Zhu, Q. Q.; Zizzi, G.; ARGO-YBJ Collaboration; Striani, E.

2015-01-01

The ARGO-YBJ air shower detector monitored the Crab Nebula gamma-ray emission from 2007 November to 2013 February. The integrated signal, consisting of ~3.3 × 105 events, reached the statistical significance of 21.1 standard deviations. The obtained energy spectrum in the energy range 0.3-20 TeV can be described by a power law function dN/dE = I 0 (E/2 TeV)-α, with a flux normalization I 0 = (5.2 ± 0.2) × 10-12 photons cm-2 s-1 TeV-1 and α = 2.63 ± 0.05, corresponding to an integrated flux above 1 TeV of 1.97 × 10-11 photons cm-2 s-1. The systematic error is estimated to be less than 30% for the flux normalization and 0.06 for the spectral index. Assuming a power law spectrum with an exponential cutoff dN/dE = I 0 (E/2 TeV)-α exp (-E/E cut), the lower limit of the cutoff energy E cut is 12 TeV, at 90% confidence level. Our extended data set allows the study of the TeV emission over long timescales. Over five years, the light curve of the Crab Nebula in 200-day bins is compatible with a steady emission with a probability of 7.3 × 10-2. A correlated analysis with Fermi-LAT data over ~4.5 yr using the light curves of the two experiments gives a Pearson correlation coefficient r = 0.56 ± 0.22. Concerning flux variations on timescales of days, a "blind" search for flares with a duration of 1-15 days gives no excess with a significance higher than four standard deviations. The average rate measured by ARGO-YBJ during the three most powerful flares detected by Fermi-LAT is 205 ± 91 photons day-1, consistent with the average value of 137 ± 10 day-1.

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

Cui, L.; Nazikian, Raffi; Grierson, B. A.

Here, Resonant Magnetic Perturbations (RMPs) are a leading method for edge localized modes (ELMs) Control in fusion plasmas. However they can also cause a rapid degradation in energy confinement. In this paper we show that the energy confinement in low collisionality (v* e < 0.3) DIII-D ITER Similar Shape (ISS) plasmas often recovers after several energy confinement times for RMP amplitudes up to the threshold for ELM suppression. Immediately following the application of the RMP, the plasma stored energy decreases in proportion to the decrease in the line-averaged density during density "pump-out". Later in the discharge confinement recovery is observedmore » in the thermal ion channel and is correlated with the increase in the ion temperature at the top of the H-mode pedestal. A correlation between the inverse scale length of the ion temperature (α/L Ti) and the E x B shearing rate at the top of the pedestal is seen during the confinement recovery phase. Transport analysis reveals that the confinement improvement in the ion channel results from the self-similarity in the ion temperature profiles in the plasma core combined with the observed increase in α/L Ti in the plasma edge following density pump-out. In contrast the electron temperature scale length (α/L Ti) remains essentially unchanged in response to the application of the RMP. At significantly higher RMP levels the edge EXB shearing rate and α/L Ti does not increase and the confinement does not recover following density pump-out.« less

Beach response dynamics of a littoral cell using a 17-year single-point time series of sand thickness

USGS Publications Warehouse

Barnard, P.L.; Hubbard, D.M.; Dugan, J.E.

2012-01-01

A 17-year time series of near-daily sand thickness measurements at a single intertidal location was compared with 5. years of semi-annual 3-dimensional beach surveys at the same beach, and at two other beaches within the same littoral cell. The daily single point measurements correlated extremely well with the mean beach elevation and shoreline position of ten high-spatial resolution beach surveys. Correlations were statistically significant at all spatial scales, even for beach surveys 10s of kilometers downcoast, and therefore variability at the single point monitoring site was representative of regional coastal behavior, allowing us to examine nearly two decades of continuous coastal evolution. The annual cycle of beach oscillations dominated the signal, typical of this region, with additional, less intense spectral peaks associated with seasonal wave energy fluctuations (~. 45 to 90. days), as well as full lunar (~. 29. days) and semi-lunar (~. 13. days; spring-neap cycle) tidal cycles. Sand thickness variability was statistically linked to wave energy with a 2. month peak lag, as well as the average of the previous 7-8. months of wave energy. Longer term anomalies in sand thickness were also apparent on time scales up to 15. months. Our analyses suggest that spatially-limited morphological data sets can be extremely valuable (with robust validation) for understanding the details of beach response to wave energy over timescales that are not resolved by typical survey intervals, as well as the regional behavior of coastal systems. ?? 2011.

Impact of Feed Efficiency and Diet on Adaptive Variations in the Bacterial Community in the Rumen Fluid of Cattle

PubMed Central

Hernandez-Sanabria, Emma; Goonewardene, Laksiri A.; Wang, Zhiquan; Durunna, Obioha N.; Moore, Stephen S.

2012-01-01

Limited knowledge of the structure and activities of the ruminal bacterial community prevents the understanding of the effect of population dynamics on functional bacterial groups and on host productivity. This study aimed to identify particular bacteria associated with host feed efficiency in steers with differing diets and residual feed intake (RFI) using culture-independent methods: PCR-denaturing gradient gel electrophoresis (DGGE) and quantitative real-time PCR analysis. PCR-DGGE profiles were generated from the ruminal fluid of 55 steers fed a low-energy-density diet and then switched to a high-energy-density diet. Bacterial profile comparisons by multivariate statistical analysis showed a trend only for RFI-related clusters on the high-energy diet. When steers (n = 19) belonging to the same RFI group under both diets were used to identify specific bacterial phylotypes related to feed efficiency traits, correlations were detected between dry matter intake, average daily gain, and copy numbers of the 16S rRNA gene of Succinivibrio sp. in low-RFI (efficient) steers, whereas correlations between Robinsoniella sp. and RFI (P < 0.05) were observed for high-RFI (inefficient) animals. Eubacterium sp. differed significantly (P < 0.05) between RFI groups that were only on the high-energy diet. Our work provides a comprehensive framework to understand how particular bacterial phylotypes contribute to differences in feed efficiency and ultimately influence host productivity, which may either depend on or be independent from diet factors. PMID:22156428

On the integration of wind and solar energy to provide a total energy supply in the USA

NASA Astrophysics Data System (ADS)

Archer, Cristina; Mills, David; Cheng, Weili; Sloggy, Matthew; Liebig, Edwin; Rhoades, Alan

2010-05-01

This study examines the feasibility of using renewable energy - mostly wind and solar radiation - as the primary source of energy in the USA, under the assumption that a nationwide electric transmission grid is in place. Previous studies have shown that solar or wind alone can power the present U.S. grid on average. Other studies have shown that solar output from California and Texas using energy storage is well correlated with the state energy load on an hour by hour basis throughout the year and with the U.S. national load on a monthly basis. This study explores scenarios for use of wind and solar energy together at the national scale on an hour by hour basis to determine if such a combination is a better match to national seasonal load scenarios than either of the two alone on an hour-by-hour basis. Actual hour by hour national load data from the year 2006 are used as a basis, with some scenarios incorporating vehicle sector electrification and building heating and cooling using electric heat pumps. Hourly wind speed data were calculated at the hub height of 80 m above the ground for the year 2006 at over 150 windy locations in the continental U.S. using an extrapolation technique based on 10-m wind speed measurements and vertical sounding profiles. Using a 1.5 MW wind turbine as benchmark, the hourly wind power production nationwide was determined at all suitable locations. Similarly, the hourly output from solar plants, with and without thermal storage, was calculated based on Ausra's model assuming that the solar production would occur in the Southwest, the area with the greatest solar radiation density in the U.S. Hourly electricity demand for the year 2006 was obtained nationwide from a variety of sources, including the Federal Energy Regulation Commission. Hourly residential heating and cooking, industrial heat processing, and future electrified transportation loads were calculated from monthly and yearly energy consumption data from the Energy Information Administration. Using different scenarios of wind power penetration (between 10% and 120% of the average national electricity and/or energy demand), the remaining hourly electricity and/or energy load was covered by solar thermal electricity produced via the Ausra's innovative linear reflective system, with various amounts of storage. With a 20% redundancy (i.e., an average production of 120% of the demand), a match of ~98% for electric load and ~96% for total energy load were found for the 60%wind-60%solar combination and with 12-hr storage. Work is continuing on improving that match through more sophisticated storage usage strategies and by looking at other options for the few days in the year for which wind and solar might be insufficient.

Late Quaternary environmental changes inferred from n-alkane evidence in coastal area of southern Hainan Island, China

NASA Astrophysics Data System (ADS)

Wang, Mengyuan; Zheng, Zhuo

2016-04-01

The studied core was a coastal core in Hainan Island, China. It is in length of 49.01m and divided into four Units (MIS 1~MIS 6) according to lithology description. The Optically Stimulated Luminescence (OSL) attributes the sediments from Unit 3 to the Oxygen Isotope Stage of MIS 5e (Unit 3b and 3c) and 5d (Unit 3a). To interpret the origination of organic carbons and to reconstruct paleovegetation changes, n-alkane, δ13C and TOC have been used in the present research. The result of n-alkanes distribution indicates a series of changes of sedimentary environment and terrestrial input. The shallow water facies at Unit 2, 3a and 4 is mainly characterized by short carbon chain n-alkanes and relatively low concentration. Contrasting with that of deep-water marine facies of MIS 5e (Unit 3b), the n-alkane pattern is typical bimodal and the main peaks are both in short and long carbon chains. During Unit 3b-1 (MIS 5e), more terrestrial original n-alkanes contribute to the concentration of TOC than oceanic. Organic matter source is mainly terrestrial origination. Total organic matter input mechanism of TLG-01 correlates with sediment grain size (average grain size). Total organic carbon input is enhanced with the increasing of fine grain size component. The variation of CPI (25-33) value in this study correlates with hydrological energy. The highest CPI (25-33) value is shown in the high sea level period of MIS 5e, comparing with that in MIS 5d and MIS 1. High CPI value corresponds to high TOC and average grain size (Φ) value. In the weak hydrological energy sedimentary environment, more terrestrial organic matter, together with TOC, deposit in the study area. ACL (25-33) index display higher values in the interglacial period (MIS 5 and MIS 1) than MIS 3 (sediments weathered during MIS 2) and MIS 6. Paq proxy, together with δ13C, estimates the mangrove growing depth in MIS 5e. The correlation between δ13C and each carbon chain alkane state stabilize and turbulence of sedimentary environment in MIS 5e. Sediments deposit in stable weak hydrological energy environment show order and grouped alkanes distribution (Unit 3b-2). High and positive correlation coefficients of δ13C and each carbon chain alkane show the dominant alkanes contributed to organic carbon (δ13C).

Physical activity in low-income postpartum women.

PubMed

Wilkinson, Susan; Huang, Chiu-Mieh; Walker, Lorraine O; Sterling, Bobbie Sue; Kim, Minseong

2004-01-01

To validate the 7-day physical activity recall (PAR), including alternative PAR scoring algorithms, using pedometer readings with low-income postpartum women, and to describe physical activity patterns of a low-income population of postpartum women. Forty-four women (13 African American, 19 Hispanic, and 12 White) from the Austin New Mothers Study (ANMS) were interviewed at 3 months postpartum. Data were scored alternatively according to the Blair (sitting treated as light activity) and Welk (sitting excluded from light activity and treated as rest) algorithms. Step counts based on 3 days of wearing pedometers served as the validation measure. Using the Welk algorithm, PAR components significantly correlated with step counts were: minutes spent in light activity, total activity (sum of light to very hard activity), and energy expenditure. Minutes spent in sitting were negatively correlated with step counts. No PAR component activities derived with the Blair algorithm were significantly related to step counts. The largest amount of active time was spent in light activity: 384.4 minutes with the Welk algorithm. Mothers averaged fewer than 16 minutes per day in moderate or high intensity activity. Step counts measured by pedometers averaged 6,262 (SD = 2,712) per day. The findings indicate support for the validity of the PAR as a measure of physical activity with low-income postpartum mothers when scored according to the Welk algorithm. On average, low-income postpartum women in this study did not meet recommendations for amount of moderate or high intensity physical activity.

Characterization of energy response for photon-counting detectors using x-ray fluorescence

PubMed Central

Ding, Huanjun; Cho, Hyo-Min; Barber, William C.; Iwanczyk, Jan S.; Molloi, Sabee

2014-01-01

Purpose: To investigate the feasibility of characterizing a Si strip photon-counting detector using x-ray fluorescence. Methods: X-ray fluorescence was generated by using a pencil beam from a tungsten anode x-ray tube with 2 mm Al filtration. Spectra were acquired at 90° from the primary beam direction with an energy-resolved photon-counting detector based on an edge illuminated Si strip detector. The distances from the source to target and the target to detector were approximately 19 and 11 cm, respectively. Four different materials, containing silver (Ag), iodine (I), barium (Ba), and gadolinium (Gd), were placed in small plastic containers with a diameter of approximately 0.7 cm for x-ray fluorescence measurements. Linear regression analysis was performed to derive the gain and offset values for the correlation between the measured fluorescence peak center and the known fluorescence energies. The energy resolutions and charge-sharing fractions were also obtained from analytical fittings of the recorded fluorescence spectra. An analytical model, which employed four parameters that can be determined from the fluorescence calibration, was used to estimate the detector response function. Results: Strong fluorescence signals of all four target materials were recorded with the investigated geometry for the Si strip detector. The average gain and offset of all pixels for detector energy calibration were determined to be 6.95 mV/keV and −66.33 mV, respectively. The detector’s energy resolution remained at approximately 2.7 keV for low energies, and increased slightly at 45 keV. The average charge-sharing fraction was estimated to be 36% within the investigated energy range of 20–45 keV. The simulated detector output based on the proposed response function agreed well with the experimental measurement. Conclusions: The performance of a spectral imaging system using energy-resolved photon-counting detectors is very dependent on the energy calibration of the detector. The proposed x-ray fluorescence technique offers an accurate and efficient way to calibrate the energy response of a photon-counting detector. PMID:25471962

Weather Correlations to Calculate Infiltration Rates for U. S. Commercial Building Energy Models.

PubMed

Ng, Lisa C; Quiles, Nelson Ojeda; Dols, W Stuart; Emmerich, Steven J

2018-01-01

As building envelope performance improves, a greater percentage of building energy loss will occur through envelope leakage. Although the energy impacts of infiltration on building energy use can be significant, current energy simulation software have limited ability to accurately account for envelope infiltration and the impacts of improved airtightness. This paper extends previous work by the National Institute of Standards and Technology that developed a set of EnergyPlus inputs for modeling infiltration in several commercial reference buildings using Chicago weather. The current work includes cities in seven additional climate zones and uses the updated versions of the prototype commercial building types developed by the Pacific Northwest National Laboratory for the U. S. Department of Energy. Comparisons were made between the predicted infiltration rates using three representations of the commercial building types: PNNL EnergyPlus models, CONTAM models, and EnergyPlus models using the infiltration inputs developed in this paper. The newly developed infiltration inputs in EnergyPlus yielded average annual increases of 3 % and 8 % in the HVAC electrical and gas use, respectively, over the original infiltration inputs in the PNNL EnergyPlus models. When analyzing the benefits of building envelope airtightening, greater HVAC energy savings were predicted using the newly developed infiltration inputs in EnergyPlus compared with using the original infiltration inputs. These results indicate that the effects of infiltration on HVAC energy use can be significant and that infiltration can and should be better accounted for in whole-building energy models.

Infrasound production by bolides: A global statistical study

NASA Astrophysics Data System (ADS)

Ens, T. A.; Brown, P. G.; Edwards, W. N.; Silber, E. A.

2012-05-01

We have examined a dataset consisting of 71 bolides detected by satellite sensors, which provide energy and location estimates, with simultaneous measurements of the same events on 143 distinct waveforms. These bolides have total source energies ranging from 0.02 kt TNT equivalent yield to ≈20 kt and probable diameters of order a few meters on average. We find that it is possible to detect large events with energies of ≈20 kt or more globally. Infrasonic detections of these events for stratospheric arrivals have ranges between 350-17,000 km and show clear wind-related amplitude modifications. We find that our period-yield relations are virtually identical to that found from AFTAC nuclear test data with the most robust period-yield correlation found for those events having multiple station averaged periods. We have also found empirical expressions relating maximum expected detection range for infrasound as a function of energy and low and high frequency cut-off as a function of energy. Our multi-variate fits suggest that 1/2 > yield-scaling is most appropriate for long range bolide infrasound measurements with a distance scaling exponent of ≈1.1 best representing the data. Our best-fit wind correction exponent is a factor of ≈3 smaller than found by previous studies which we suggest may indicate a decrease in the value of k with range. We find that the integral acoustic efficiency for bolides is ≥0.01% with a best lower limit estimate nearer 0.1%. Finally, we conclude that a range independent atmosphere implementation of the normal-mode approach to simulate bolide amplitudes is ineffective at large ranges due to the large change in atmospheric conditions along source-receiver paths.

Energetic O+ and H+ Ions in the Plasma Sheet: Implications for the Transport of Ionospheric Ions

NASA Technical Reports Server (NTRS)

Ohtani, S.; Nose, M.; Christon, S. P.; Lui, A. T.

2011-01-01

The present study statistically examines the characteristics of energetic ions in the plasma sheet using the Geotail/Energetic Particle and Ion Composition data. An emphasis is placed on the O+ ions, and the characteristics of the H+ ions are used as references. The following is a summary of the results. (1) The average O+ energy is lower during solar maximum and higher during solar minimum. A similar tendency is also found for the average H+ energy, but only for geomagnetically active times; (2) The O+ -to -H+ ratios of number and energy densities are several times higher during solar maximum than during solar minimum; (3) The average H+ and O+ energies and the O+ -to -H+ ratios of number and energy densities all increase with geomagnetic activity. The differences among different solar phases not only persist but also increase with increasing geomagnetic activity; (4) Whereas the average H+ energy increases toward Earth, the average O+ energy decreases toward Earth. The average energy increases toward dusk for both the H+ and O+ ions; (5) The O+ -to -H+ ratios of number and energy densities increase toward Earth during all solar phases, but most clearly during solar maximum. These results suggest that the solar illumination enhances the ionospheric outflow more effectively with increasing geomagnetic activity and that a significant portion of the O+ ions is transported directly from the ionosphere to the near ]Earth region rather than through the distant tail.

Polarimetry of random fields

NASA Astrophysics Data System (ADS)

Ellis, Jeremy

On temporal, spatial and spectral scales which are small enough, all fields are fully polarized. In the optical regime, however, instantaneous fields can rarely be examined, and, instead, only average quantities are accessible. The study of polarimetry is concerned with both the description of electromagnetic fields and the characterization of media a field has interacted with. The polarimetric information is conventionally presented in terms of second order field correlations which are averaged over the ensemble of field realizations. Motivated by the deficiencies of classical polarimetry in dealing with specific practical situations, this dissertation expands the traditional polarimetric approaches to include higher order field correlations and the description of fields fluctuating in three dimensions. In relation to characterization of depolarizing media, a number of fourth-order correlations are introduced in this dissertation. Measurements of full polarization distributions, and the subsequent evaluation of Stokes vector element correlations and Complex Degree of Mutual Polarization demonstrate the use of these quantities for material discrimination and characterization. Recent advancements in detection capabilities allow access to fields near their sources and close to material boundaries, where a unique direction of propagation is not evident. Similarly, there exist classical situations such as overlapping beams, focusing, or diffusive scattering in which there is no unique transverse direction. In this dissertation, the correlation matrix formalism is expanded to describe three dimensional electromagnetic fields, providing a definition for the degree of polarization of such a field. It is also shown that, because of the dimensionality of the problem, a second parameter is necessary to fully describe the polarimetric properties of three dimensional fields. Measurements of second-order correlations of a three dimensional field are demonstrated, allowing the determination of both the degree of polarization and the state of polarization. These new theoretical concepts and innovative experimental approaches introduced in this dissertation are expected to impact scientific areas as diverse as near field optics, remote sensing, high energy laser physics, fluorescence microscopy, and imaging.

Amplitude fluctuations driven by the density of electron pairs within nanosize granular structures inside strongly disordered superconductors: evidence for a shell-like effect.

PubMed

Ghosh, Sanjib; Mandal, Sudhansu S

2013-11-15

Motivated by the recent observation of the shell effect in a nanoscale pure superconductor by Bose et al. [Nat. Mater. 9, 550 (2010)], we explore the possible shell-like effect in a strongly disordered superconductor as it is known to produce nanosize superconducting puddles (SPs). We find a remarkable change in the texture of the pairing amplitudes that is responsible for forming the SP, upon monotonic tuning of the average electron density, , and keeping the disorder landscape unaltered. Both the spatially averaged pairing amplitude and the quasiparticle excitation gap oscillate with . This oscillation is due to a rapid change in the low-lying quasiparticle energy spectra and thereby a change in the shapes and positions of the SPs. We establish a correlation between the formation of SPs and the shell-like effect. The experimental consequences of our theory are also discussed.

Effect of Sb content on the physical properties of Ge-Se-Te chalcogenide glasses

NASA Astrophysics Data System (ADS)

Vashist, Priyanka; Anjali, Patial, Balbir Singh; Thakur, Nagesh

2018-05-01

In the present study, the bulk as-(Se80Te20)94-xGe6Sbx (x = 0, 1, 2, 4, 6, 8) glasses were synthesized using melt quenching technique. The physical properties viz coordination number, lone pair of electrons, number of constraints, glass transition temperature, mean bond energy, cohesive energy, electro-negativity and average heat of atomization of the investigated composition are reported and discussed. It is inferred that on increasing Sb content; average coordination number, average number of constraints, mean bond energy, cohesive energy and glass transition temperature increases but lone pair of electrons, average heat of atomization and deviation of stoichiometry decreases.

Derivation of energy-based base shear force coefficient considering hysteretic behavior and P-delta effects

NASA Astrophysics Data System (ADS)

Ucar, Taner; Merter, Onur

2018-01-01

A modified energy-balance equation accounting for P-delta effects and hysteretic behavior of reinforced concrete members is derived. Reduced hysteretic properties of structural components due to combined stiffness and strength degradation and pinching effects, and hysteretic damping are taken into account in a simple manner by utilizing plastic energy and seismic input energy modification factors. Having a pre-selected yield mechanism, energy balance of structure in inelastic range is considered. P-delta effects are included in derived equation by adding the external work of gravity loads to the work of equivalent inertia forces and equating the total external work to the modified plastic energy. Earthquake energy input to multi degree of freedom (MDOF) system is approximated by using the modal energy-decomposition. Energy-based base shear coefficients are verified by means of both pushover analysis and nonlinear time history (NLTH) analysis of several RC frames having different number of stories. NLTH analyses of frames are performed by using the time histories of ten scaled ground motions compatible with elastic design acceleration spectrum and fulfilling duration/amplitude related requirements of Turkish Seismic Design Code. The observed correlation between energy-based base shear force coefficients and the average base shear force coefficients of NLTH analyses provides a reasonable confidence in estimation of nonlinear base shear force capacity of frames by using the derived equation.

From standard alpha-stable Lévy motions to horizontal visibility networks: dependence of multifractal and Laplacian spectrum

NASA Astrophysics Data System (ADS)

Zou, Hai-Long; Yu, Zu-Guo; Anh, Vo; Ma, Yuan-Lin

2018-05-01

In recent years, researchers have proposed several methods to transform time series (such as those of fractional Brownian motion) into complex networks. In this paper, we construct horizontal visibility networks (HVNs) based on the -stable Lévy motion. We aim to study the relations of multifractal and Laplacian spectrum of transformed networks on the parameters and of the -stable Lévy motion. First, we employ the sandbox algorithm to compute the mass exponents and multifractal spectrum to investigate the multifractality of these HVNs. Then we perform least squares fits to find possible relations of the average fractal dimension , the average information dimension and the average correlation dimension against using several methods of model selection. We also investigate possible dependence relations of eigenvalues and energy on , calculated from the Laplacian and normalized Laplacian operators of the constructed HVNs. All of these constructions and estimates will help us to evaluate the validity and usefulness of the mappings between time series and networks, especially between time series of -stable Lévy motions and HVNs.

The Prediction of Scattered Broadband Shock-Associated Noise

NASA Technical Reports Server (NTRS)

Miller, Steven A. E.

2015-01-01

A mathematical model is developed for the prediction of scattered broadband shock-associated noise. Model arguments are dependent on the vector Green's function of the linearized Euler equations, steady Reynolds-averaged Navier-Stokes solutions, and the two-point cross-correlation of the equivalent source. The equivalent source is dependent on steady Reynolds-averaged Navier-Stokes solutions of the jet flow, that capture the nozzle geometry and airframe surface. Contours of the time-averaged streamwise velocity component and turbulent kinetic energy are examined with varying airframe position relative to the nozzle exit. Propagation effects are incorporated by approximating the vector Green's function of the linearized Euler equations. This approximation involves the use of ray theory and an assumption that broadband shock-associated noise is relatively unaffected by the refraction of the jet shear layer. A non-dimensional parameter is proposed that quantifies the changes of the broadband shock-associated noise source with varying jet operating condition and airframe position. Scattered broadband shock-associated noise possesses a second set of broadband lobes that are due to the effect of scattering. Presented predictions demonstrate relatively good agreement compared to a wide variety of measurements.

Technique to measure wavenumber mismatch between quadratically interacting modes

NASA Astrophysics Data System (ADS)

Hajj, M. R.; Davila, J. B.; Miksad, R. W.; Powers, E. J.

1995-02-01

Nonlinear energy cascade by means of three-wave resonant interactions is a characteristic feature of transitioning and turbulent flows. Resonant wavenumber mismatch between these interacting modes can arise from the dispersive characteristics of the interacting waves and from spectral broadening due to random effects. In this paper, a general technique is presented to estimate the average level of instantaneous wavenumber mismatch, (Delta k) = (k(sub m) - k(sub i) - k(sub j)), between components whose frequencies obey the resonant selection condition, f(sub m) - f(sub i) - f(sub j) = 0. Cross-correlation of the auto-bispectrum is used to quantify the level of mismatch. The concept of bispectrum coupling coherency is introduced to determine the confidence level in the wavenumber mismatch estimates. These techniques are then applied to measure wavenumber mismatch in the transitioning field of a plane wake. The results show that the average of the instantaneous mismatch between the actual interacting modes (k(sub m) - k(sub i) - k(sub j)) is in general not equal to the mismatch between the average wavenumbers of each interacting mode (k(sub m) - (k(sub i)) - (k(sub j)).

Insights into the High-energy γ-ray Emission of Markarian 501 from Extensive Multifrequency Observations in the Fermi Era

NASA Astrophysics Data System (ADS)

Abdo, A. A.; Ackermann, M.; Ajello, M.; Allafort, A.; Baldini, L.; Ballet, J.; Barbiellini, G.; Baring, M. G.; Bastieri, D.; Bechtol, K.; Bellazzini, R.; Berenji, B.; Blandford, R. D.; Bloom, E. D.; Bonamente, E.; Borgland, A. W.; Bouvier, A.; Brandt, T. J.; Bregeon, J.; Brez, A.; Brigida, M.; Bruel, P.; Buehler, R.; Buson, S.; Caliandro, G. A.; Cameron, R. A.; Cannon, A.; Caraveo, P. A.; Carrigan, S.; Casandjian, J. M.; Cavazzuti, E.; Cecchi, C.; Çelik, Ö.; Charles, E.; Chekhtman, A.; Cheung, C. C.; Chiang, J.; Ciprini, S.; Claus, R.; Cohen-Tanugi, J.; Conrad, J.; Cutini, S.; Dermer, C. D.; de Palma, F.; Silva, E. do Couto e.; Drell, P. S.; Dubois, R.; Dumora, D.; Favuzzi, C.; Fegan, S. J.; Ferrara, E. C.; Focke, W. B.; Fortin, P.; Frailis, M.; Fuhrmann, L.; Fukazawa, Y.; Funk, S.; Fusco, P.; Gargano, F.; Gasparrini, D.; Gehrels, N.; Germani, S.; Giglietto, N.; Giordano, F.; Giroletti, M.; Glanzman, T.; Godfrey, G.; Grenier, I. A.; Guillemot, L.; Guiriec, S.; Hayashida, M.; Hays, E.; Horan, D.; Hughes, R. E.; Jóhannesson, G.; Johnson, A. S.; Johnson, W. N.; Kadler, M.; Kamae, T.; Katagiri, H.; Kataoka, J.; Knödlseder, J.; Kuss, M.; Lande, J.; Latronico, L.; Lee, S.-H.; Lemoine-Goumard, M.; Longo, F.; Loparco, F.; Lott, B.; Lovellette, M. N.; Lubrano, P.; Madejski, G. M.; Makeev, A.; Max-Moerbeck, W.; Mazziotta, M. N.; McEnery, J. E.; Mehault, J.; Michelson, P. F.; Mitthumsiri, W.; Mizuno, T.; Moiseev, A. A.; Monte, C.; Monzani, M. E.; Morselli, A.; Moskalenko, I. V.; Murgia, S.; Naumann-Godo, M.; Nishino, S.; Nolan, P. L.; Norris, J. P.; Nuss, E.; Ohsugi, T.; Okumura, A.; Omodei, N.; Orlando, E.; Ormes, J. F.; Paneque, D.; Panetta, J. H.; Parent, D.; Pavlidou, V.; Pearson, T. J.; Pelassa, V.; Pepe, M.; Pesce-Rollins, M.; Piron, F.; Porter, T. A.; Rainò, S.; Rando, R.; Razzano, M.; Readhead, A.; Reimer, A.; Reimer, O.; Richards, J. L.; Ripken, J.; Ritz, S.; Roth, M.; Sadrozinski, H. F.-W.; Sanchez, D.; Sander, A.; Scargle, J. D.; Sgrò, C.; Siskind, E. J.; Smith, P. D.; Spandre, G.; Spinelli, P.; Stawarz, Ł.; Stevenson, M.; Strickman, M. S.; Sokolovsky, K. V.; Suson, D. J.; Takahashi, H.; Takahashi, T.; Tanaka, T.; Thayer, J. B.; Thayer, J. G.; Thompson, D. J.; Tibaldo, L.; Torres, D. F.; Tosti, G.; Tramacere, A.; Uchiyama, Y.; Usher, T. L.; Vandenbroucke, J.; Vasileiou, V.; Vilchez, N.; Vitale, V.; Waite, A. P.; Wang, P.; Wehrle, A. E.; Winer, B. L.; Wood, K. S.; Yang, Z.; Ylinen, T.; Zensus, J. A.; Ziegler, M.; Fermi LAT Collaboration; Aleksić, J.; Antonelli, L. A.; Antoranz, P.; Backes, M.; Barrio, J. A.; Becerra González, J.; Bednarek, W.; Berdyugin, A.; Berger, K.; Bernardini, E.; Biland, A.; Blanch, O.; Bock, R. K.; Boller, A.; Bonnoli, G.; Bordas, P.; Borla Tridon, D.; Bosch-Ramon, V.; Bose, D.; Braun, I.; Bretz, T.; Camara, M.; Carmona, E.; Carosi, A.; Colin, P.; Colombo, E.; Contreras, J. L.; Cortina, J.; Covino, S.; Dazzi, F.; de Angelis, A.; De Cea del Pozo, E.; De Lotto, B.; De Maria, M.; De Sabata, F.; Delgado Mendez, C.; Diago Ortega, A.; Doert, M.; Domínguez, A.; Dominis Prester, D.; Dorner, D.; Doro, M.; Elsaesser, D.; Ferenc, D.; Fonseca, M. V.; Font, L.; García López, R. J.; Garczarczyk, M.; Gaug, M.; Giavitto, G.; Godinovi, N.; Hadasch, D.; Herrero, A.; Hildebrand, D.; Höhne-Mönch, D.; Hose, J.; Hrupec, D.; Jogler, T.; Klepser, S.; Krähenbühl, T.; Kranich, D.; Krause, J.; La Barbera, A.; Leonardo, E.; Lindfors, E.; Lombardi, S.; López, M.; Lorenz, E.; Majumdar, P.; Makariev, E.; Maneva, G.; Mankuzhiyil, N.; Mannheim, K.; Maraschi, L.; Mariotti, M.; Martínez, M.; Mazin, D.; Meucci, M.; Miranda, J. M.; Mirzoyan, R.; Miyamoto, H.; Moldón, J.; Moralejo, A.; Nieto, D.; Nilsson, K.; Orito, R.; Oya, I.; Paoletti, R.; Paredes, J. M.; Partini, S.; Pasanen, M.; Pauss, F.; Pegna, R. G.; Perez-Torres, M. A.; Persic, M.; Peruzzo, J.; Pochon, J.; Prada Moroni, P. G.; Prada, F.; Prandini, E.; Puchades, N.; Puljak, I.; Reichardt, T.; Reinthal, R.; Rhode, W.; Ribó, M.; Rico, J.; Rissi, M.; Rügamer, S.; Saggion, A.; Saito, K.; Saito, T. Y.; Salvati, M.; Sánchez-Conde, M.; Satalecka, K.; Scalzotto, V.; Scapin, V.; Schultz, C.; Schweizer, T.; Shayduk, M.; Shore, S. N.; Sierpowska-Bartosik, A.; Sillanpää, A.; Sitarek, J.; Sobczynska, D.; Spanier, F.; Spiro, S.; Stamerra, A.; Steinke, B.; Storz, J.; Strah, N.; Struebig, J. C.; Suric, T.; Takalo, L. O.; Tavecchio, F.; Temnikov, P.; Terzić, T.; Tescaro, D.; Teshima, M.; Vankov, H.; Wagner, R. M.; Weitzel, Q.; Zabalza, V.; Zandanel, F.; Zanin, R.; MAGIC Collaboration; Acciari, V. A.; Arlen, T.; Aune, T.; Benbow, W.; Boltuch, D.; Bradbury, S. M.; Buckley, J. H.; Bugaev, V.; Cannon, A.; Cesarini, A.; Ciupik, L.; Cui, W.; Dickherber, R.; Errando, M.; Falcone, A.; Finley, J. P.; Finnegan, G.; Fortson, L.; Furniss, A.; Galante, N.; Gall, D.; Gillanders, G. H.; Godambe, S.; Grube, J.; Guenette, R.; Gyuk, G.; Hanna, D.; Holder, J.; Huang, D.; Hui, C. M.; Humensky, T. B.; Kaaret, P.; Karlsson, N.; Kertzman, M.; Kieda, D.; Konopelko, A.; Krawczynski, H.; Krennrich, F.; Lang, M. J.; Maier, G.; McArthur, S.; McCann, A.; McCutcheon, M.; Moriarty, P.; Mukherjee, R.; Ong, R.; Otte, A. N.; Pandel, D.; Perkins, J. S.; Pichel, A.; Pohl, M.; Quinn, J.; Ragan, K.; Reyes, L. C.; Reynolds, P. T.; Roache, E.; Rose, H. J.; Rovero, A. C.; Schroedter, M.; Sembroski, G. H.; Senturk, G. D.; Steele, D.; Swordy, S. P.; Tešić, G.; Theiling, M.; Thibadeau, S.; Varlotta, A.; Vincent, S.; Wakely, S. P.; Ward, J. E.; Weekes, T. C.; Weinstein, A.; Weisgarber, T.; Williams, D. A.; Wood, M.; Zitzer, B.; VERITAS Collaboration; Villata, M.; Raiteri, C. M.; Aller, H. D.; Aller, M. F.; Arkharov, A. A.; Blinov, D. A.; Calcidese, P.; Chen, W. P.; Efimova, N. V.; Kimeridze, G.; Konstantinova, T. S.; Kopatskaya, E. N.; Koptelova, E.; Kurtanidze, O. M.; Kurtanidze, S. O.; Lähteenmäki, A.; Larionov, V. M.; Larionova, E. G.; Larionova, L. V.; Ligustri, R.; Morozova, D. A.; Nikolashvili, M. G.; Sigua, L. A.; Troitsky, I. S.; Angelakis, E.; Capalbi, M.; Carramiñana, A.; Carrasco, L.; Cassaro, P.; de la Fuente, E.; Gurwell, M. A.; Kovalev, Y. Y.; Kovalev, Yu. A.; Krichbaum, T. P.; Krimm, H. A.; Leto, P.; Lister, M. L.; Maccaferri, G.; Moody, J. W.; Mori, Y.; Nestoras, I.; Orlati, A.; Pagani, C.; Pace, C.; Pearson, R., III; Perri, M.; Piner, B. G.; Pushkarev, A. B.; Ros, E.; Sadun, A. C.; Sakamoto, T.; Tornikoski, M.; Yatsu, Y.; Zook, A.

2011-02-01

We report on the γ-ray activity of the blazar Mrk 501 during the first 480 days of Fermi operation. We find that the average Large Area Telescope (LAT) γ-ray spectrum of Mrk 501 can be well described by a single power-law function with a photon index of 1.78 ± 0.03. While we observe relatively mild flux variations with the Fermi-LAT (within less than a factor of two), we detect remarkable spectral variability where the hardest observed spectral index within the LAT energy range is 1.52 ± 0.14, and the softest one is 2.51 ± 0.20. These unexpected spectral changes do not correlate with the measured flux variations above 0.3 GeV. In this paper, we also present the first results from the 4.5 month long multifrequency campaign (2009 March 15—August 1) on Mrk 501, which included the Very Long Baseline Array (VLBA), Swift, RXTE, MAGIC, and VERITAS, the F-GAMMA, GASP-WEBT, and other collaborations and instruments which provided excellent temporal and energy coverage of the source throughout the entire campaign. The extensive radio to TeV data set from this campaign provides us with the most detailed spectral energy distribution yet collected for this source during its relatively low activity. The average spectral energy distribution of Mrk 501 is well described by the standard one-zone synchrotron self-Compton (SSC) model. In the framework of this model, we find that the dominant emission region is characterized by a size lsim0.1 pc (comparable within a factor of few to the size of the partially resolved VLBA core at 15-43 GHz), and that the total jet power (sime1044 erg s-1) constitutes only a small fraction (~10-3) of the Eddington luminosity. The energy distribution of the freshly accelerated radiating electrons required to fit the time-averaged data has a broken power-law form in the energy range 0.3 GeV-10 TeV, with spectral indices 2.2 and 2.7 below and above the break energy of 20 GeV. We argue that such a form is consistent with a scenario in which the bulk of the energy dissipation within the dominant emission zone of Mrk 501 is due to relativistic, proton-mediated shocks. We find that the ultrarelativistic electrons and mildly relativistic protons within the blazar zone, if comparable in number, are in approximate energy equipartition, with their energy dominating the jet magnetic field energy by about two orders of magnitude.

Insights Into the High-energy γ-ray Emission of Markarian 501 from Extensive Multifrequency Observations in the Fermi Era

DOE PAGES

Abdo, A. A.; Ackermann, M.; Ajello, M.; ...

2011-01-12

Here, we report on the γ-ray activity of the blazar Mrk 501 during the first 480 days of Fermi operation. We find that the average Large Area Telescope (LAT) γ-ray spectrum of Mrk 501 can be well described by a single power-law function with a photon index of 1.78 ± 0.03. While we observe relatively mild flux variations with the Fermi-LAT (within less than a factor of two), we detect remarkable spectral variability where the hardest observed spectral index within the LAT energy range is 1.52 ± 0.14, and the softest one is 2.51 ± 0.20. These unexpected spectral changes do not correlate with the measured flux variations above 0.3 GeV. In this paper, we also present the first results from the 4.5 month long multifrequency campaign (2009 March 15—August 1) on Mrk 501, which included the Very Long Baseline Array (VLBA), Swift, RXTE, MAGIC, and VERITAS, the F-GAMMA, GASP-WEBT, and other collaborations and instruments which provided excellent temporal and energy coverage of the source throughout the entire campaign. The extensive radio to TeV data set from this campaign provides us with the most detailed spectral energy distribution yet collected for this source during its relatively low activity. The average spectral energy distribution of Mrk 501 is well described by the standard one-zone synchrotron self-Compton (SSC) model. In the framework of this model, we find that the dominant emission region is characterized by a sizemore » $$\\lesssim$$0.1 pc (comparable within a factor of few to the size of the partially resolved VLBA core at 15-43 GHz), and that the total jet power (~10 44 erg s –1) constitutes only a small fraction (~10 –3) of the Eddington luminosity. The energy distribution of the freshly accelerated radiating electrons required to fit the time-averaged data has a broken power-law form in the energy range 0.3 GeV-10 TeV, with spectral indices 2.2 and 2.7 below and above the break energy of 20 GeV. We argue that such a form is consistent with a scenario in which the bulk of the energy dissipation within the dominant emission zone of Mrk 501 is due to relativistic, proton-mediated shocks. We find that the ultrarelativistic electrons and mildly relativistic protons within the blazar zone, if comparable in number, are in approximate energy equipartition, with their energy dominating the jet magnetic field energy by about two orders of magnitude.« less

A comparison of the relative biological effectiveness of low energy electronic brachytherapy sources in breast tissue: a Monte Carlo study.

PubMed

White, Shane A; Reniers, Brigitte; de Jong, Evelyn E C; Rusch, Thomas; Verhaegen, Frank

2016-01-07

Electronic brachytherapy sources use low energy photons to treat the tumor bed during or after breast-conserving surgery. The relative biological effectiveness of two electronic brachytherapy sources was explored to determine if spectral differences due to source design influenced radiation quality and if radiation quality decreased with distance in the breast. The RBE was calculated through the number of DNA double strand breaks (RBEDSB) using the Monte Carlo damage simulator (MCDS) in combination with other Monte Carlo electron/photon spectrum calculations. 50kVp photons from the Intrabeam (Carl Zeiss Surgical) and Axxent (Xoft) through 40-mm spherical applicators were simulated to account for applicator and tissue attenuation in a variety of breast tissue compositions. 40kVp Axxent photons were also simulated. Secondary electrons (known to be responsible for most DNA damage) spectra at different distance were inputted into MCDS to calculate the RBEDSB. All RBEDSB used a cobalt-60 reference. RBEDSB data was combined with corresponding average photon spectrum energy for the Axxent and applied to model-based average photon energy distributions to produce an RBEDSB map of an accelerated partial breast irradiation (APBI) patient. Both Axxent and Intrabeam 50kVp spectra were shown to have a comparable RBEDSB of between 1.4 and 1.6 at all distances in spite of progressive beam hardening. The Axxent 40kVp also demonstrated a similar RBEDSB at distances. Most RBEDSB variability was dependent on the tissue type as was seen in rib (RBEDSB  ≈  1.4), gland (≈1.55), adipose (≈1.59), skin (≈1.52) and lung (≈1.50). RBEDSB variability between both sources was within 2%. A correlation was shown between RBEDSB and average photon energy and used to produce an RBEDSB map of a dose distribution in an APBI patient dataset. Radiation quality is very similar between electronic brachytherapy sources studied. No significant reductions in RBEDSB were observed with increasing distance from the source.

Cooking with Fire: The Mutagenicity- and PAH-Emission ...

EPA Pesticide Factsheets

Emissions from solid fuels used for cooking cause ~4 million premature deaths per year. Advanced solid-fuel cookstoves are a potential solution, but they should be assessed by appropriate performance indicators, including biological effects. We evaluated two categories of solid-fuel cookstoves for 8 pollutant- and 4 mutagenicity-emission factors, correlated the mutagenicity-emission factors, and compared them to those of other combustion emissions. We burned red oak in a 3-stone fire (TSF), a natural-draft stove (NDS), and a forced-draft stove (FDS); we combusted propane as a liquified petroleum gas control fuel. We determined emission factors based on useful energy (megajoules delivered, MJd) for carbon monoxide, nitrogen oxides (NOx), black carbon, methane, total hydrocarbons, 32 polycyclic aromatic hydrocarbons, PM2.5, levoglucosan (a wood-smoke marker), and mutagenicity in Salmonella. Other than NOx the emission factors per MJd correlated highly among each other (r2 ≥ 0.92); NOx correlated 0.58-0.76 with the other emission factors. Excluding NOx, the NDS and FDS reduced the emission factors on average 68 and 92%, respectively, relative to the TSF. Nonetheless, the mutagenicity-emission factor based on fuel energy used (MJthermal) for the most efficient stove (FDS) was intermediate to that of a large diesel bus engine and a small diesel generator. Both mutagenicity- and pollutant-emission factors may be informative for characterizing cookstove

Predicting Binding Free Energy Change Caused by Point Mutations with Knowledge-Modified MM/PBSA Method.

PubMed

Petukh, Marharyta; Li, Minghui; Alexov, Emil

2015-07-01

A new methodology termed Single Amino Acid Mutation based change in Binding free Energy (SAAMBE) was developed to predict the changes of the binding free energy caused by mutations. The method utilizes 3D structures of the corresponding protein-protein complexes and takes advantage of both approaches: sequence- and structure-based methods. The method has two components: a MM/PBSA-based component, and an additional set of statistical terms delivered from statistical investigation of physico-chemical properties of protein complexes. While the approach is rigid body approach and does not explicitly consider plausible conformational changes caused by the binding, the effect of conformational changes, including changes away from binding interface, on electrostatics are mimicked with amino acid specific dielectric constants. This provides significant improvement of SAAMBE predictions as indicated by better match against experimentally determined binding free energy changes over 1300 mutations in 43 proteins. The final benchmarking resulted in a very good agreement with experimental data (correlation coefficient 0.624) while the algorithm being fast enough to allow for large-scale calculations (the average time is less than a minute per mutation).

The effect of a hot, spherical scattering cloud on quasi-periodic oscillation behavior

NASA Astrophysics Data System (ADS)

Bussard, R. W.; Weisskopf, M. C.; Elsner, R. F.; Shibazaki, N.

1988-04-01

A Monte Carlo technique is used to investigate the effects of a hot electron scattering cloud surrounding a time-dependent X-ray source. Results are presented for the time-averaged emergent energy spectra and the mean residence time in the cloud as a function of energy. Moreover, after Fourier transforming the scattering Green's function, it is shown how the cloud affects both the observed power spectrum of a time-dependent source and the cross spectrum (Fourier transform of a cross correlation between energy bands). It is found that the power spectra intrinsic to the source are related to those observed by a relatively simple frequency-dependent multiplicative factor (a transmission function). The cloud can severely attenuate high frequencies in the power spectra, depending on optical depth, and, at lower frequencies, the transmission function has roughly a Lorentzian shape. It is also found that if the intrinsic energy spectrum is constant in time, the phase of the cross spectrum is determined entirely by scattering. Finally, the implications of the results for studies of the X-ray quasi-periodic oscillators are discussed.

Modeling the energy content of combustible ship-scrapping waste at Alang-Sosiya, India, using multiple regression analysis.

PubMed

Reddy, M Srinivasa; Basha, Shaik; Joshi, H V; Sravan Kumar, V G; Jha, B; Ghosh, P K

2005-01-01

Alang-Sosiya is the largest ship-scrapping yard in the world, established in 1982. Every year an average of 171 ships having a mean weight of 2.10 x 10(6)(+/-7.82 x 10(5)) of light dead weight tonnage (LDT) being scrapped. Apart from scrapped metals, this yard generates a massive amount of combustible solid waste in the form of waste wood, plastic, insulation material, paper, glass wool, thermocol pieces (polyurethane foam material), sponge, oiled rope, cotton waste, rubber, etc. In this study multiple regression analysis was used to develop predictive models for energy content of combustible ship-scrapping solid wastes. The scope of work comprised qualitative and quantitative estimation of solid waste samples and performing a sequential selection procedure for isolating variables. Three regression models were developed to correlate the energy content (net calorific values (LHV)) with variables derived from material composition, proximate and ultimate analyses. The performance of these models for this particular waste complies well with the equations developed by other researchers (Dulong, Steuer, Scheurer-Kestner and Bento's) for estimating energy content of municipal solid waste.

Evaluation of adaptive treatment planning for patients with non-small cell lung cancer

NASA Astrophysics Data System (ADS)

Zhong, Hualiang; Siddiqui, Salim M.; Movsas, Benjamin; Chetty, Indrin J.

2017-06-01

The purpose of this study was to develop metrics to evaluate uncertainties in deformable dose accumulation for patients with non-small cell lung cancer (NSCLC). Initial treatment plans (primary) and cone-beam CT (CBCT) images were retrospectively processed for seven NSCLC patients, who showed significant tumor regression during the course of treatment. Each plan was developed with IMRT for 2 Gy  ×  33 fractions. A B-spline-based DIR algorithm was used to register weekly CBCT images to a reference image acquired at fraction 21 and the resultant displacement vector fields (DVFs) were then modified using a finite element method (FEM). The doses were calculated on each of these CBCT images and mapped to the reference image using a tri-linear dose interpolation method, based on the B-spline and FEM-generated DVFs. Contours propagated from the planning image were adjusted to the residual tumor and OARs on the reference image to develop a secondary plan. For iso-prescription adaptive plans (relative to initial plans), mean lung dose (MLD) was reduced, on average from 17.3 Gy (initial plan) to 15.2, 14.5 and 14.8 Gy for the plans adapted using the rigid, B-Spline and FEM-based registrations. Similarly, for iso-toxic adaptive plans (considering MLD relative to initial plans) using the rigid, B-Spline and FEM-based registrations, the average doses were 69.9  ±  6.8, 65.7  ±  5.1 and 67.2  ±  5.6 Gy in the initial volume (PTV1), and 81.5  ±  25.8, 77.7  ±  21.6, and 78.9  ±  22.5 Gy in the residual volume (PTV21), respectively. Tumor volume reduction was correlated with dose escalation (for isotoxic plans, correlation coefficient  =  0.92), and with MLD reduction (for iso-fractional plans, correlation coefficient  =  0.85). For the case of the iso-toxic dose escalation, plans adapted with the B-Spline and FEM DVFs differed from the primary plan adapted with rigid registration by 2.8  ±  1.0 Gy and 1.8  ±  0.9 Gy in PTV1, and the mean difference between doses accumulated using the B-spline and FEM DVF’s was 1.1  ±  0.6 Gy. As a dose mapping-induced energy change, energy defect in the tumor volume was 20.8  ±  13.4% and 4.5  ±  2.4% for the B-spline and FEM-based dose accumulations, respectively. The energy defect of the B-Spline-based dose accumulation is significant in the tumor volume and highly correlated to the difference between the B-Spline and FEM-accumulated doses with their correlation coefficient equal to 0.79. Adaptive planning helps escalate target dose and spare normal tissue for patients with NSCLC, but deformable dose accumulation may have a significant loss of energy in regressed tumor volumes when using image intensity-based DIR algorithms. The metric of energy defect is a useful tool for evaluation of adaptive planning accuracy for lung cancer patients.

TU-EF-304-09: Quantifying the Biological Effects of Therapeutic Protons by LET Spectrum Analysis

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

Guan, F; Bronk, L; Kerr, M

2015-06-15

Purpose: To correlate in vitro cell kill with linear energy transfer (LET) spectra using Monte Carlo simulations and knowledge obtained from previous high-throughput in vitro proton relative biological effectiveness (RBE) measurements. Methods: The Monte Carlo simulation toolkit Geant4 was used to design the experimental setups and perform the dose, dose-averaged LET, and LET spectra calculations. The clonogenic assay was performed using the H460 lung cancer cell line in standard 6-well plates. Using two different experimental setups, the same dose and dose-averaged LET (12.6 keV/µm) was delivered to the cell layer; however, each respective energy or LET spectrum was different. Wemore » quantified the dose contributions from high-LET (≥10 keV/µm, threshold determined by previous RBE measurements) events in the LET spectra separately for these two setups as 39% and 53%. 8 dose levels with 1 Gy increments were delivered. The photon reference irradiation was performed using 6 MV x-rays from a LINAC. Results: The survival curves showed that both proton irradiations demonstrated an increased RBE compared to the reference photon irradiation. Within the proton-irradiated cells, the setup with 53% dose contribution from high-LET events exhibited the higher biological effectiveness. Conclusion: The experimental results indicate that the dose-averaged LET may not be an appropriate indicator to quantify the biological effects of protons when the LET spectrum is broad enough to contain both low- and high-LET events. Incorporating the LET spectrum distribution into robust intensity-modulated proton therapy optimization planning may provide more accurate biological dose distribution than using the dose-averaged LET. NIH Program Project Grant 2U19CA021239-35.« less

Plasmon dispersion in strongly correlated superlattices

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

Lu, D.; Golden, K.I.; Kalman, G.

The dielectric response function of a strongly correlated superlattice is calculated in the quasilocalized charge (QLC) approximation. The resulting QLC static local-field correction, which contains both intralayer and interlayer pair-correlational effects, is identical to the correlational part of the third-frequency-moment sum-rule coefficient. This approximation treats the interlayer and intralayer couplings on an equal footing. The resulting dispersion relation is first analyzed to determine the effect of intralayer coupling on the out-of-phase acoustic-mode dispersion; in this approximation the interlayer coupling is suppressed and the mutual interaction of the layers is taken into account only through the average random-phase approximation (RPA) field.more » In the resulting mode dispersion, the onset of a finite-{ital k} ({ital k} being the in-plane wave number) reentrant low-frequency excitation developing (with decreasing {ital d}/{ital a}) into a dynamical instability is indicated ({ital a} being the in-plane Wigner-Seitz radius and {ital d} the distance between adjacent lattice planes). This dynamical instability parallels a static structural instability reported earlier both for a bilayer electron system and a superlattice and presumably indicates a structural change in the electron liquid. If one takes account of interlayer correlations beyond the RPA, the acoustic excitation spectrum is dramatically modified by the appearance of an energy gap which also has a stabilizing effect on the instability. We extend a previous energy gap study at {ital k}=0 [G. Kalman, Y. Ren, and K. I. Golden, Phys Rev. B {bold 50}, 2031 (1994)] to a calculation of the dispersion of the gapped acoustic excitation spectrum in the long-wavelength domain. {copyright} {ital 1996 The American Physical Society.}« less

Spatio-temporal representativeness of ground-based downward solar radiation measurements

NASA Astrophysics Data System (ADS)

Schwarz, Matthias; Wild, Martin; Folini, Doris

2017-04-01

Surface solar radiation (SSR) is most directly observed with ground based pyranometer measurements. Besides measurement uncertainties, which arise from the pyranometer instrument itself, also errors attributed to the limited spatial representativeness of observations from single sites for their large-scale surrounding have to be taken into account when using such measurements for energy balance studies. In this study the spatial representativeness of 157 homogeneous European downward surface solar radiation time series from the Global Energy Balance Archive (GEBA) and the Baseline Surface Radiation Network (BSRN) were examined for the period 1983-2015 by using the high resolution (0.05°) surface solar radiation data set from the Satellite Application Facility on Climate Monitoring (CM-SAF SARAH) as a proxy for the spatiotemporal variability of SSR. By correlating deseasonalized monthly SSR time series form surface observations against single collocated satellite derived SSR time series, a mean spatial correlation pattern was calculated and validated against purely observational based patterns. Generally decreasing correlations with increasing distance from station, with high correlations (R2 = 0.7) in proximity to the observational sites (±0.5°), was found. When correlating surface observations against time series from spatially averaged satellite derived SSR data (and thereby simulating coarser and coarser grids), very high correspondence between sites and the collocated pixels has been found for pixel sizes up to several degrees. Moreover, special focus was put on the quantification of errors which arise in conjunction to spatial sampling when estimating the temporal variability and trends for a larger region from a single surface observation site. For 15-year trends on a 1° grid, errors due to spatial sampling in the order of half of the measurement uncertainty for monthly mean values were found.

Silicon K-edge XANES spectra of silicate minerals

NASA Astrophysics Data System (ADS)

Li, Dien; Bancroft, G. M.; Fleet, M. E.; Feng, X. H.

1995-03-01

Silicon K-edge x-ray absorption near-edge structure (XANES) spectra of a selection of silicate and aluminosilicate minerals have been measured using synchrotron radiation (SR). The spectra are qualitatively interpreted based on MO calculation of the tetrahedral SiO{4/4-}cluster. The Si K-edge generally shifts to higher energy with increased polymerization of silicates by about 1.3 eV, but with considerable overlap for silicates of different polymerization types. The substitution of Al for Si shifts the Si K-edge to lower energy. The chemical shift of Si K-edge is also sensitive to cations in more distant atom shells; for example, the Si K-edge shifts to lower energy with the substitution of Al for Mg in octahedral sites. The shifts of the Si K-edge show weak correlation with average Si-O bond distance (dSi-O), Si-O bond valence (sSi-O) and distortion of SiO4 tetrahedra, due to the crystal structure complexity of silicate minerals and multiple factors effecting the x-ray absorption processes.

SU-E-T-146: Beam Energy Spread Estimate Based On Bragg Peak Measurement

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

Anferov, V; Derenchuk, V; Moore, R

2015-06-15

Purpose: ProNova is installing and commissioning a two room proton therapy system in Knoxville, TN. Beam energy out of the 230MeV cyclotron was measured on Jan 24, 2015. Cyclotron beam was delivered into a Zebra multi layered IC detector calibrated in terms of penetration range in water. The analysis of the measured Bragg peak determines penetration range in water which can be subsequently converted into proton beam energy. We extended this analysis to obtain an estimate of the beam energy spread out of the cyclotron. Methods: Using Monte Carlo simulations we established the correlation between Bragg peak shape parameters (widthmore » at 50% and 80% dose levels, distal falloff) and penetration range for a monoenergetic proton beam. For large uniform field impinging on a small area detector, we observed linear dependence of each Bragg peak parameter on beam penetration range as shown in Figure A. Then we studied how this correlation changes when the shape of Bragg peak is distorted by the beam focusing conditions. As shown in Figure B, small field size or diverging beam cause Bragg peak deformation predominantly in the proximal region. The distal shape of the renormalized Bragg peaks stays nearly constant. This excludes usage of Bragg peak width parameters for energy spread estimates. Results: The measured Bragg peaks had an average distal falloff of 4.86mm, which corresponds to an effective range of 35.5cm for a monoenergetic beam. The 32.7cm measured penetration range is 2.8cm less. Passage of a 230MeV proton beam through a 2.8cm thick slab of water results in a ±0.56MeV energy spread. As a final check, we confirmed agreement between shapes of the measured Bragg peak and one generated by Monte-Carlo code for proton beam with 0.56 MeV energy spread. Conclusion: Proton beam energy spread can be estimated using Bragg peak analysis.« less

The consumption of alcohol mixed with energy drinks: prevalence and key correlates among Canadian high school students.

PubMed

Azagba, Sunday; Langille, Don; Asbridge, Mark

2013-01-01

An emerging body of research has reported high consumption of alcohol mixed with energy drinks among young adults, particularly college students. However, little is known about adolescents' consumption of these drinks. The purpose of this study was to determine the prevalence of consumption of alcohol mixed with energy drinks and to examine its correlates among Canadian high school students. We used a nationally representative sample of 36 155 Canadian students in grades 7 to 12 who participated in the 2010/2011 Youth Smoking Survey. About 20% of Canadian high school students reported consuming alcohol mixed with energy drinks in the last year, with considerable variation across provinces. Multivariate logistic regression analyses showed that the odds of consumption of these drinks were higher among students in lower grades (grades 7 and 8) and among students who identified their ethnicity as black or "other." Consumption of alcohol mixed with energy drinks was positively associated with substance use (current smoking [adjusted odds ratio (OR) 1.52, 95% confidence interval (CI) 1.19-1.95], past-year heavy drinking [adjusted OR 3.41, 95% CI 2.84-4.09] and marijuana use [adjusted OR 2.29, 95% CI 1.90-2.76]), absence from school, participation in school team sports and having more weekly spending money. Students who felt more connected to school and had an academic average of 70% or higher were less likely to consume alcohol mixed with energy drinks. The consumption of alcohol mixed with energy drinks is an emerging public health concern. Consumption of these drinks is substantial among Canadian high school students and can lead to many potential harms, both acute (e.g., injury) and long term (e.g., increased alcohol dependence). Our findings highlight the need for further research into the long-term effects of consumption of alcohol mixed with energy drinks among young people, as well as the development of interventions aimed at reducing consumption of these drinks.

Evaluation of a new 240-μm single-use holmium:YAG optical fiber for flexible ureteroscopy.

PubMed

Khemees, Tariq A; Shore, David M; Antiporda, Michael; Teichman, Joel M H; Knudsen, Bodo E

2013-04-01

Numerous holmium:yttrium-aluminum-garnet laser fibers are available for flexible ureteroscopy. Performance and durability of fibers can vary widely among different manufacturers and their product lines with differences within a single product line have been reported. We sought to evaluate a newly developed nontapered, single-use 240-μm fiber, Flexiva™ 200 (Boston Scientific, Natick, MA), during clinical use and in a bench-testing model. A total of 100 new fibers were tested after their use in 100 consecutive flexible ureteroscopic lithotripsy procedures by a single surgeon (B.K.). Prospectively recorded clinical parameters were laser pulse energy and frequency settings, total energy delivered and fibers failure. Subsequently, each fiber was bench-tested using an established protocol. Parameters evaluated for were fibers true diameter, flexibility, tip degradation, energy transmission in straight and 180° bend configuration and fibers failure threshold with stress testing. The mean total energy delivered was 2.20 kJ (range 0-18.24 kJ) and most common laser settings used were 0.8 J at 8 Hz, 0.2 J at 50 Hz, and 1.0 J at 10 Hz, respectively. No fiber fractured during clinical procedures. The true fiber diameter was 450 μm. Fiber tips burnt back an average of 1.664 mm, but were highly variable. With laser setting of 400 mJ at 5 Hz, the mean energy transmitted was 451 and 441 mJ in straight and 180° bend configuration, respectively. Thirteen percent of fibers fractured at the bend radius of 0.5 cm with a positive correlation to the total energy transmitted during clinical use identified. Fiber performance was consistent in terms of energy transmission and resistance to fracture when activated in bent configuration. Fiber failure during stress testing showed significant correlation with the total energy delivered during the clinical procedure. The lack of fiber fracture during clinical use may reduce the risk of flexible endoscope damage due to fiber failure.

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

RECS Data Show Decreased Energy Consumption per Household

EIA Publications

2012-01-01

Total United States energy consumption in homes has remained relatively stable for many years as increased energy efficiency has offset the increase in the number and average size of housing units, according to the newly released data from the Residential Energy Consumption Survey (RECS). The average household consumed 90 million British thermal units (Btu) in 2009 based on RECS. This continues the downward trend in average residential energy consumption of the last 30 years. Despite increases in the number and the average size of homes plus increased use of electronics, improvements in efficiency for space heating, air conditioning, and major appliances have all led to decreased consumption per household. Newer homes also tend to feature better insulation and other characteristics, such as double-pane windows, that improve the building envelope.

Convergence of third order correlation energy in atoms and molecules.

PubMed

Kahn, Kalju; Granovsky, Alex A; Noga, Jozef

2007-01-30

We have investigated the convergence of third order correlation energy within the hierarchies of correlation consistent basis sets for helium, neon, and water, and for three stationary points of hydrogen peroxide. This analysis confirms that singlet pair energies converge much slower than triplet pair energies. In addition, singlet pair energies with (aug)-cc-pVDZ and (aug)-cc-pVTZ basis sets do not follow a converging trend and energies with three basis sets larger than aug-cc-pVTZ are generally required for reliable extrapolations of third order correlation energies, making so the explicitly correlated R12 calculations preferable.

The effect of temperature on experimental and natural chemical weathering rates of granitoid rocks

USGS Publications Warehouse

White, A.F.; Blum, A.E.; Bullen, T.D.; Vivit, D.V.; Schulz, M.; Fitzpatrick, J.

1999-01-01

The effects of climatic temperature variations (5-35??C) on chemical weathering are investigated both experimentally using flow-through columns containing fresh and weathered granitoid rocks and for natural granitoid weathering in watersheds based on annual solute discharge. Although experimental Na and Si effluent concentrations are significantly higher in the fresh relative to the weathered granitoids, the proportional increases in concentration with increasing temperature are similar. Si and Na exhibit comparable average apparent activation energies (E(a)) of 56 and 61 kJ/mol, respectively, which are similar to those reported for experimental feldspar dissolution measured over larger temperature ranges. A coupled temperature-precipitation model, using an expanded database for solute discharge fluxes from a global distribution of 86 granitoid watersheds, produces an apparent activation energy for Si (51 kJ/mol), which is also comparable to those derived from the experimental study. This correlation reinforces evidence that temperature does significantly impact natural silicate weathering rates. Effluent K concentrations in the column study are elevated with respect to other cations compared to watershed discharge due to the rapid oxidation/dissolution of biotite. K concentrations are less sensitive to temperature, resulting in a lower average E(a) value (27 kJ/mol) indicative of K loss from lower energy interlayer sites in biotite. At lower temperatures, initial cation release from biotite is significantly faster than cation release from plagioclase. This agrees with reported higher K/Na ratios in cold glacial watersheds relative to warmer temperate environments. Increased release of less radiogenic Sr from plagioclase relative to biotite at increasing temperature produces corresponding decreases in 87Sr/86Sr ratios in the column effluents. A simple mixing calculation using effluent K/Na ratios, Sr concentrations and 87Sr/86Sr ratios for biotite and plagioclase approximates stoichiometric cation ratios from biotite/plagioclase dissolution at warmer temperatures (35??C), but progressively overestimates the relative proportion of biotite with decreasing temperature. Ca, Mg, and Sr concentrations closely correlate, exhibit no consistent trends with temperature, and are controlled by trace amounts of calcite or exchange within weathered biotite. The inability of the watershed model to differentiate a climate signal for such species correlates with the lower temperature dependence observed in the experimental studies.

A canonical stability-elasticity relationship verified for one million face-centred-cubic structures.

PubMed

Maisel, Sascha B; Höfler, Michaela; Müller, Stefan

2012-11-29

Any thermodynamically stable or metastable phase corresponds to a local minimum of a potentially very complicated energy landscape. But however complex the crystal might be, this energy landscape is of parabolic shape near its minima. Roughly speaking, the depth of this energy well with respect to some reference level determines the thermodynamic stability of the system, and the steepness of the parabola near its minimum determines the system's elastic properties. Although changing alloying elements and their concentrations in a given material to enhance certain properties dates back to the Bronze Age, the systematic search for desirable properties in metastable atomic configurations at a fixed stoichiometry is a very recent tool in materials design. Here we demonstrate, using first-principles studies of four binary alloy systems, that the elastic properties of face-centred-cubic intermetallic compounds obey certain rules. We reach two conclusions based on calculations on a huge subset of the face-centred-cubic configuration space. First, the stiffness and the heat of formation are negatively correlated with a nearly constant Spearman correlation for all concentrations. Second, the averaged stiffness of metastable configurations at a fixed concentration decays linearly with their distance to the ground-state line (the phase diagram of an alloy at zero Kelvin). We hope that our methods will help to simplify the quest for new materials with optimal properties from the vast configuration space available.

Potential energy surface and rate coefficients of protonated cyanogen (HNCCN+) induced by collision with helium (He) at low temperature

NASA Astrophysics Data System (ADS)

Bop, Cheikh T.; Faye, N. AB; Hammami, K.

2018-05-01

Nitriles have been identified in space. Accurately modeling their abundance requires calculations of collisional rate coefficients. These data are obtained by first computing potential energy surfaces (PES) and cross-sections using high accurate quantum methods. In this paper, we report the first interaction potential of the HNCCN+-He collisional system along with downward rate coefficients among the 11 lowest rotational levels of HNCCN+. The PES was calculated using the explicitly correlated coupled cluster approach with simple, second and non-iterative triple excitation (CCSD(T)-F12) in conjunction with the augmented-correlation consistent-polarized valence triple zeta (aug-cc-pVTZ) Gaussian basis set. It presents two local minima of ˜283 and ˜136 cm-1, the deeper one is located at R = 9 a0 towards the H end (HeṡṡṡHNCCN+). Using the so-computed PES, we calculated rotational cross-sections of HNCCN+ induced by collision with He for energies ranging up to 500 cm-1 with the exact quantum mechanical close coupling (CC) method. Downward rate coefficients were then worked out by thermally averaging the cross-sections at low temperature (T ≤ 100 K). The discussion on propensity rules showed that the odd Δj transitions were favored. The results obtained in this work may be crucially needed to accurately model the abundance of cyanogen and its protonated form in space.

16 CFR Appendix K to Part 305 - Representative Average Unit Energy Costs

Code of Federal Regulations, 2013 CFR

2013-01-01

... 16 Commercial Practices 1 2013-01-01 2013-01-01 false Representative Average Unit Energy Costs K... CONGRESS RULE CONCERNING DISCLOSURES REGARDING ENERGY CONSUMPTION AND WATER USE OF CERTAIN HOME APPLIANCES AND OTHER PRODUCTS REQUIRED UNDER THE ENERGY POLICY AND CONSERVATION ACT (âAPPLIANCE LABELING RULEâ...

16 CFR Appendix K to Part 305 - Representative Average Unit Energy Costs

Code of Federal Regulations, 2011 CFR

2011-01-01

... 16 Commercial Practices 1 2011-01-01 2011-01-01 false Representative Average Unit Energy Costs K... CONGRESS RULE CONCERNING DISCLOSURES REGARDING ENERGY CONSUMPTION AND WATER USE OF CERTAIN HOME APPLIANCES AND OTHER PRODUCTS REQUIRED UNDER THE ENERGY POLICY AND CONSERVATION ACT (âAPPLIANCE LABELING RULEâ...

16 CFR Appendix K to Part 305 - Representative Average Unit Energy Costs

Code of Federal Regulations, 2012 CFR

2012-01-01

... 16 Commercial Practices 1 2012-01-01 2012-01-01 false Representative Average Unit Energy Costs K... CONGRESS RULE CONCERNING DISCLOSURES REGARDING ENERGY CONSUMPTION AND WATER USE OF CERTAIN HOME APPLIANCES AND OTHER PRODUCTS REQUIRED UNDER THE ENERGY POLICY AND CONSERVATION ACT (âAPPLIANCE LABELING RULEâ...

16 CFR Appendix K to Part 305 - Representative Average Unit Energy Costs

Code of Federal Regulations, 2010 CFR

2010-01-01

... 16 Commercial Practices 1 2010-01-01 2010-01-01 false Representative Average Unit Energy Costs K... CONGRESS RULE CONCERNING DISCLOSURES REGARDING ENERGY CONSUMPTION AND WATER USE OF CERTAIN HOME APPLIANCES AND OTHER PRODUCTS REQUIRED UNDER THE ENERGY POLICY AND CONSERVATION ACT (âAPPLIANCE LABELING RULEâ...

Energy Intensity Trends in AEO2010 (released in AEO2010)

EIA Publications

2010-01-01

Energy intensity (energy consumption per dollar of real GDP) indicates how much energy a country uses to produce its goods and services. From the early 1950s to the early 1970s, U.S. total primary energy consumption and real GDP increased at nearly the same annual rate. During that period, real oil prices remained virtually flat. In contrast, from the mid-1970s to 2008, the relationship between energy consumption and real GDP growth changed, with primary energy consumption growing at less than one-third the previous average rate and real GDP growth continuing to grow at its historical rate. The decoupling of real GDP growth from energy consumption growth led to a decline in energy intensity that averaged 2.8% per year from 1973 to 2008. In the Annual Energy Outlook 2010 Reference case, energy intensity continues to decline, at an average annual rate of 1.9% from 2008 to 2035.

Trauma potential and ballistic parameters of cal. 9 mm P.A. dummy launchers.

PubMed

Frank, Matthias; Bockholdt, Britta; Philipp, Klaus-Peter; Ekkernkamp, Axel

2010-07-15

Blank cartridge actuated dummy launching devices are used by migratory bird hunters to train dogs to retrieve downed birds. The devices create a loud noise while simultaneously propelling a hard foam dummy for retrieval. A newly developed dummy launcher is based on a modified cal. 9 mm P.A. blank handgun with an extension tube pinned and welded to the barrel imitation. Currently, there are no experimental investigations on the ballistic background and trauma potential of these uncommon shooting devices. An experimental test set-up consisting of a photoelectric infrared light barrier was used for measurement of the velocity of hard foam dummies propelled with an automatic dummy launcher. Ballistic parameters of the dummies and an aluminium sleeve as improvised projectile (kinetic energy (E), impulse (p), energy density (E') and threshold velocity (v(tsh)) to cause penetrating wounds as a function of cross-sectional density (S)) were calculated. The average velocity (v) of the dummies was measured 25.71 m/s exerting an average impulse (p) of 3.342 Ns. The average kinetic energy (E) was calculated 43.04 J with an average energy density (E') of 0.069 J/mm(2). The average velocity (v) of the aluminium sleeves as improvised projectiles was measured 79.58 m/s exerting an average impulse (p) of 2.228 Ns. The average kinetic energy (E) of the aluminium sleeves was calculated as 88.70 J with an average energy density (E') of 0.282 J/mm(2). The energy delivered by these shooting devices is high enough to cause relevant injuries. The absence of skin penetration must not mislead the emergency physician or forensic expert into neglecting the potential damage from these devices. (c) 2010 Elsevier Ireland Ltd. All rights reserved.

Environmental Impact of Buildings--What Matters?

PubMed

Heeren, Niko; Mutel, Christopher L; Steubing, Bernhard; Ostermeyer, York; Wallbaum, Holger; Hellweg, Stefanie

2015-08-18

The goal of this study was to identify drivers of environmental impact and quantify their influence on the environmental performance of wooden and massive residential and office buildings. We performed a life cycle assessment and used thermal simulation to quantify operational energy demand and to account for differences in thermal inertia of building mass. Twenty-eight input parameters, affecting operation, design, material, and exogenic building properties were sampled in a Monte Carlo analysis. To determine sensitivity, we calculated the correlation between each parameter and the resulting life cycle inventory and impact assessment scores. Parameters affecting operational energy demand and energy conversion are the most influential for the building's total environmental performance. For climate change, electricity mix, ventilation rate, heating system, and construction material rank the highest. Thermal inertia results in an average 2-6% difference in heat demand. Nonrenewable cumulative energy demand of wooden buildings is 18% lower, compared to a massive variant. Total cumulative energy demand is comparable. The median climate change impact is 25% lower, including end-of-life material credits and 22% lower, when credits are excluded. The findings are valid for small offices and residential buildings in Switzerland and regions with similar building culture, construction material production, and climate.

Empirical p-n interactions, the synchronized filling of Nilsson orbitals, and emergent collectivity

NASA Astrophysics Data System (ADS)

Cakirli, R. B.

2014-09-01

The onset of collectivity and deformation, changes to the single particle energies and magic numbers and so on are strongly influenced by, for example, proton (p) and neutron (n) interactions inside atomic nuclei. Experimentally, using binding energies (or masses), one can extract an average p-n interaction between the last two protons and the last two neutrons, called δVpn. We have studied δVpn values using calculations of spatial overlaps between p and n Nilsson orbitals, considering different deformations, for the Z= 50-82, N= 82-126 shells, and comparison of these theoretical results with experimental δVpn values. Our results show that enhanced valence p-n interactions are closely correlated with the development of collectivity, shape changes, and the saturation of deformation in nuclei. We note that the difference of the Nilsson quantum numbers of the last filled Nilsson p and n orbitals, has a special relation, 0[110], in which they differ by only a single quantum in the z-direction, for those nuclei where δVpn is largest for each Z in medium mass and heavy nuclei. The synchronised filling of such orbital pairs correlates with the emergence of collectivity.

Eddy-correlation measurements of fluxes of CO 2 and H 2O above a spruce stand

NASA Astrophysics Data System (ADS)

Ibrom, A.; Schütz, C.; Tworek, T.; Morgenstern, K.; Oltchev, A.; Falk, M.; Constantin, J.; Gravenhorst, G.

1996-12-01

Atmospheric fluxes of CO 2 and H 2O above a mature spruce stand ( Picea abies (L.) Karst.) have been investigated using the eddy- correlation technique. A closed path sensor adapted to the special requirements of long-term studies has been developed and tested. Field measurements have been performed since April 1995. Estimates of fetch showed a very narrow source area dimension under instable stratification (≤ 200 m). Fetch requirements at night are not met in some directions. Energy balance closure was influenced systematically by the wind direction indicating a substantial attenuation of the vertical wind motion by the tower (up to 40 %). Even for optimal flow directions, energy balance closure was about 88%. Intercomparison of the used ultra sonic anemometer (USAT-3) with a GILL - anemometer showed systematically lower values of vertical wind speed fluctuations (13 %). Average CO 2-fluxes ranged between -13 at noon to 3 μ mol m-2, s-1 at night in summer. In November and December the stand released CO 2 on a daily basis. A preliminary estimate of the cumulative net carbon balance over the observed period of 9 months is 4-5 t, Cha-1.

Kinetic energy distribution of multiply charged ions in Coulomb explosion of Xe clusters.

PubMed

Heidenreich, Andreas; Jortner, Joshua

2011-02-21

We report on the calculations of kinetic energy distribution (KED) functions of multiply charged, high-energy ions in Coulomb explosion (CE) of an assembly of elemental Xe(n) clusters (average size (n) = 200-2171) driven by ultra-intense, near-infrared, Gaussian laser fields (peak intensities 10(15) - 4 × 10(16) W cm(-2), pulse lengths 65-230 fs). In this cluster size and pulse parameter domain, outer ionization is incomplete∕vertical, incomplete∕nonvertical, or complete∕nonvertical, with CE occurring in the presence of nanoplasma electrons. The KEDs were obtained from double averaging of single-trajectory molecular dynamics simulation ion kinetic energies. The KEDs were doubly averaged over a log-normal cluster size distribution and over the laser intensity distribution of a spatial Gaussian beam, which constitutes either a two-dimensional (2D) or a three-dimensional (3D) profile, with the 3D profile (when the cluster beam radius is larger than the Rayleigh length) usually being experimentally realized. The general features of the doubly averaged KEDs manifest the smearing out of the structure corresponding to the distribution of ion charges, a marked increase of the KEDs at very low energies due to the contribution from the persistent nanoplasma, a distortion of the KEDs and of the average energies toward lower energy values, and the appearance of long low-intensity high-energy tails caused by the admixture of contributions from large clusters by size averaging. The doubly averaged simulation results account reasonably well (within 30%) for the experimental data for the cluster-size dependence of the CE energetics and for its dependence on the laser pulse parameters, as well as for the anisotropy in the angular distribution of the energies of the Xe(q+) ions. Possible applications of this computational study include a control of the ion kinetic energies by the choice of the laser intensity profile (2D∕3D) in the laser-cluster interaction volume.

10 CFR 440.24 - Recordkeeping.

Code of Federal Regulations, 2010 CFR

2010-01-01

... for such project or program not supplied by DOE, the average costs incurred in weatherization of individual dwelling units, the average size of the dwelling being weatherized, the average income of... ENERGY ENERGY CONSERVATION WEATHERIZATION ASSISTANCE FOR LOW-INCOME PERSONS § 440.24 Recordkeeping. Each...

10 CFR 440.24 - Recordkeeping.

Code of Federal Regulations, 2011 CFR

2011-01-01

... for such project or program not supplied by DOE, the average costs incurred in weatherization of individual dwelling units, the average size of the dwelling being weatherized, the average income of... ENERGY ENERGY CONSERVATION WEATHERIZATION ASSISTANCE FOR LOW-INCOME PERSONS § 440.24 Recordkeeping. Each...

Approach to failure in porous granular materials under compression

NASA Astrophysics Data System (ADS)

Kun, Ferenc; Varga, Imre; Lennartz-Sassinek, Sabine; Main, Ian G.

2013-12-01

We investigate the approach to catastrophic failure in a model porous granular material undergoing uniaxial compression. A discrete element computational model is used to simulate both the microstructure of the material and the complex dynamics and feedbacks involved in local fracturing and the production of crackling noise. Under strain-controlled loading, microcracks initially nucleate in an uncorrelated way all over the sample. As loading proceeds the damage localizes into a narrow damage band inclined at 30∘-45∘ to the load direction. Inside the damage band the material is crushed into a poorly sorted mixture of mainly fine powder hosting some larger fragments. The mass probability density distribution of particles in the damage zone is a power law of exponent 2.1, similar to a value of 1.87 inferred from observations of the length distribution of wear products (gouge) in natural and laboratory faults. Dynamic bursts of radiated energy, analogous to acoustic emissions observed in laboratory experiments on porous sedimentary rocks, are identified as correlated trails or cascades of local ruptures that emerge from the stress redistribution process. As the system approaches macroscopic failure consecutive bursts become progressively more correlated. Their size distribution is also a power law, with an equivalent Gutenberg-Richter b value of 1.22 averaged over the whole test, ranging from 3 to 0.5 at the time of failure, all similar to those observed in laboratory tests on granular sandstone samples. The formation of the damage band itself is marked by a decrease in the average distance between consecutive bursts and an emergent power-law correlation integral of event locations with a correlation dimension of 2.55, also similar to those observed in the laboratory (between 2.75 and 2.25).

The abundances of hydrogen, helium, oxygen, and iron accelerated in large solar particle events

NASA Technical Reports Server (NTRS)

Mazur, J. E.; Mason, G. M.; Klecker, B.; Mcguire, R. E.

1993-01-01

Energy spectra measured in 10 large flares with the University of Maryland/Max-Planck-Institut sensors on ISEE I and Goddard Space Flight Center sensors on IMP 8 allowed us to determine the average H, He, O, and Fe abundances as functions of energy in the range of about 0.3-80 MeV/nucleon. Model fits to the spectra of individual events using the predictions of a steady state stochastic acceleration model with rigidity-dependent diffusion provided a means of interpolating small portions of the energy spectra not measured with the instrumentation. Particles with larger mass-to-charge ratios were relatively less abundant at higher energies in the flare-averaged composition. The Fe/O enhancement at low SEP energies was less than the Fe/O ratios observed in He-3-rich flares. Unlike the SEP composition averaged above 5 MeV/nucleon, the average SEP abundances above 0.3 MeV/nucleon were similar to the average solar wind.

Solar Wind 0.1-1 keV Electrons in the Corotating Interaction Regions

NASA Astrophysics Data System (ADS)

Wang, L.; Tao, J.; Li, G.; Wimmer-Schweingruber, R. F.; Jian, L. K.; He, J.; Tu, C.; Tian, H.; Bale, S. D.

2017-12-01

Here we present a statistical study of the 0.1-1 keV suprathermal electrons in the undisturbed and compressed slow/fast solar wind, for the 71 corotating interaction regions (CIRs) with good measurements from the WIND 3DP and MFI instruments from 1995 to 1997. For each of these CIRs, we separate the strahl and halo electrons based on their different behaviors in pitch angle distributions in the undisturbed and compressed solar wind. We fit both the strahl and halo energy spectra to a kappa function with an index κ index and effective temperature Teff, and calculate the pitch-angle width at half-maximum (PAHM) of the strahl population. We also integrate the electron measurements between 0.1 and 1.0 keV to obtain the number density n and average energy Eavg for the strahl and halo populations. We find that for both the strahl and halo populations within and around these CIRs, the fitted κ index strongly correlates with Teff, similar to the quiet-time solar wind (Tao et al., ApJ, 2016). The number density of both the strahl and halo shows a strong positive correlation with the electron core temperature. The strahl number density ns is correlated with the magnitude of interplanetary magnetic field, and the strahl PAHM width is anti-correlated with the solar wind speed. These results suggest that the origin of strahl electrons from the solar corona is likely related to the electron core temperature and magnetic field strength, while the production of halo electrons in the interplanetary medium could depend on the solar wind velocity.

Empirical solvent-mediated potentials hold for both intra-molecular and inter-molecular inter-residue interactions.

PubMed Central

Keskin, O.; Bahar, I.; Badretdinov, A. Y.; Ptitsyn, O. B.; Jernigan, R. L.

1998-01-01

Whether knowledge-based intra-molecular inter-residue potentials are valid to represent inter-molecular interactions taking place at protein-protein interfaces has been questioned in several studies. Differences in the chain connectivity effect and in residue packing geometry between interfaces and single chain monomers have been pointed out as possible sources of distinct energetics for the two cases. In the present study, the interfacial regions of protein-protein complexes are examined to extract inter-molecular inter-residue potentials, using the same statistical methods as those previously adopted for intra-molecular residue pairs. Two sets of energy parameters are derived, corresponding to solvent-mediation and "average residue" mediation. The former set is shown to be highly correlated (correlation coefficient 0.89) with that previously obtained for inter-residue interactions within single chain monomers, while the latter exhibits a weaker correlation (0.69) with its intra-molecular counterpart. In addition to the close similarity of intra- and inter-molecular solvent-mediated potentials, they are shown to be significantly more residue-specific and thereby discriminative compared to the residue-mediated ones, indicating that solvent-mediation plays a major role in controlling the effective inter-residue interactions, either at interfaces, or within single monomers. Based on this observation, a reduced set of energy parameters comprising 20 one-body and 3 two-body terms is proposed (as opposed to the 20 x 20 tables of inter-residue potentials), which reproduces the conventional 20 x 20 tables with a correlation coefficient of 0.99. PMID:9865952

Impact of beverage consumption, age, and site dependency on dual energy X-ray absorptiometry (DEXA) measurements in perimenopausal women: a prospective study.

PubMed

Lo, Huan-Chu; Kuo, Duen-Pang; Chen, Yen-Lin

2017-08-01

The aim of this study was to determine the best site for bone mineral density (BMD) measurements based on T -scores, age, and beverage consumption. In this prospective study, 271 women stratified by age (average age: 61.9 years) underwent dual energy X-ray absorptiometry (DEXA) scanning of their lumbar spine, hips, and forearms. Osteoporosis was defined as a BMD of 2.5 standard deviations or more below the mean peak bone mass based on a reference population of adult women (translated as a T -score ≤ -2.5), as measured by DEXA. Participants were also evaluated regarding alcohol and caffeine consumption by a semiquantitative questionnaire. A significant discrepancy was observed in the classification of osteoporosis at different locations, with hip and forearm showing the best correlation (Pearson's r = 0.627, p < 0.001). In addition, for participants over 50 years of age, hip and forearm showed the best correlation. Significant correlations were also noted between forearm T -scores and caffeine consumed and, to a lesser extent, the level of alcohol consumption. In the group ≤ 50 years of age, lumbar spine and forearm T -scores were only associated with alcohol consumption. In the group over 50 years of age, hip and forearm T -scores were only associated with caffeine consumption. Bone mineral density measurements at the hip and forearm correlated with caffeine consumption in elderly Taiwanese women. This is an important finding since age and caffeine consumption are known risk factors for osteoporosis.

Racial/Ethnic Differences in the Criterion-Related Validity of Cognitive Ability Tests: A Qualitative and Quantitative Review

ERIC Educational Resources Information Center

Berry, Christopher M.; Clark, Malissa A.; McClure, Tara K.

2011-01-01

The correlation between cognitive ability test scores and performance was separately meta-analyzed for Asian, Black, Hispanic, and White racial/ethnic subgroups. Compared to the average White observed correlation ([image omitted] = 0.33, N = 903,779), average correlations were lower for Black samples ([image omitted] = 0.24, N = 112,194) and…

Theoretical Study of Spin Crossover in 30 Iron Complexes.

PubMed

Kepp, Kasper P

2016-03-21

Iron complexes are important spin crossover (SCO) systems with vital roles in oxidative metabolism and promising technological potential. The SCO tendency depends on the free energy balance of high- and low-spin states, which again depends on physical effects such as dispersion, relativistic effects, and vibrational entropy. This work studied 30 different iron SCO systems with experimentally known thermochemical data, using 12 different density functionals. Remarkably general entropy-enthalpy compensation across SCO systems was identified (R = 0.82, p = 0.002) that should be considered in rational SCO design. Iron(II) complexes displayed higher ΔH and ΔS values than iron(III) complexes and also less steep compensation effects. First-coordination sphere ΔS values computed from numerical frequencies reproduce most of the experimental entropy and should thus be included when modeling spin-state changes in inorganic chemistry (R = 0.52, p = 3.4 × 10(-3); standard error in TΔS ≈ 4.4 kJ/mol at 298 K vs 16 kJ/mol of total TΔS on average). Zero-point energies favored high-spin states by 9 kJ/mol on average. Interestingly, dispersion effects are surprisingly large for the SCO process (average: 9 kJ/mol, but up to 33 kJ/mol) and favor the more compact low-spin state. Relativistic effects favor low-spin by ∼9 kJ/mol on average, but up to 24 kJ/mol. B3LYP*, TPSSh, B2PLYP, and PW6B95 performed best for the typical calculation scheme that includes ZPE. However, if relativistic and dispersion effects are included, only B3LYP* remained accurate. On average, high-spin was favored by LYP by 11-15 kJ/mol relative to other correlation functionals, and by 4.2 kJ/mol per 1% HF exchange in hybrids. 13% HF exchange was optimal without dispersion, and 15% was optimal with all effects included for these systems.

On the Computation of H/V and its Application to Microzonation and Seismic Design

NASA Astrophysics Data System (ADS)

Perton, M.; Martínez, J. A.; Lermo, J. F.; Sanchez-Sesma, F. J.

2014-12-01

The H/V ratio is the square root of the ratio of horizontal to vertical energies of ground motion. It has been observed that the frequency of the main peak is well suited for the characterization of site effects and had been widely used for micro-zonation and seismic structural design. Historically that ratio was made from the average of individual H/V ratios obtained from noise autocorrelations. Nevertheless, it has been recently pointed out that the H/V ratio should be calculated differently as the ratio of the average of H over the average of V. This calculation is based on the relation between the directional energies (the imaginary part of Green's function) and the noise autocorrelations. In general, the average of ratios is different from the ratio of averages. Although the frequency of the main response was correctly obtained, the associated amplification factor has generally been badly predicted, having little matching with the amplification observed during strong earthquakes. The unexpected decay behavior of such ratios at high frequency and the lack of stability and reproducibility of the H/V ratios are other problems that face the method. These problems are addressed here from the point of view of normalization of noise correlations. In fact, several normalization techniques have already been proposed in order to correctly retrieve the Green's function. Some of them are well suited for the retrieval of the surface wave contribution, while others are more appropriate for bulk wave incidence. Since the H/V ratio may be used for various purposes like surface wave tomography, micro-zonation or seismic design, different normalizations are discussed in functions of the objectives. The H/V obtained from local historical earthquakes on top or far away from the subduction zone are also discussed. ACKNOWLEDGEMENT This research has been partially supported by DGAPA-UNAM under Project IN104712 and the AXA Research Fund.

High Grazing Angle and High Resolution Sea Clutter: Correlation and Polarisation Analyses

DTIC Science & Technology

2007-03-01

the azimuthal correlation. The correlation between the HH and VV sea clutter data is low. A CA-CFAR ( cell average constant false-alarm rate...to calculate the power spectra of correlation profiles. The frequency interval of the traditional Discrete Fourier Transform is NT1 Hz, where N and...sea spikes, the Entropy-Alpha decomposition of sea spikes is shown in Figure 30. The process first locates spikes using a cell -average constant false

Adipokines and their relation to maternal energy substrate production, insulin resistance and fetal size.

PubMed

Ahlsson, Fredrik; Diderholm, Barbro; Ewald, Uwe; Jonsson, Björn; Forslund, Anders; Stridsberg, Mats; Gustafsson, Jan

2013-05-01

The role of adipokines in the regulation of energy substrate production in non-diabetic pregnant women has not been elucidated. We hypothesize that serum concentrations of adiponectin are related to fetal growth via maternal fat mass, insulin resistance and glucose production, and further, that serum levels of leptin are associated with lipolysis and that this also influences fetal growth. Hence, we investigated the relationship between adipokines, energy substrate production, insulin resistance, body composition and fetal weight in non-diabetic pregnant women in late gestation. Twenty pregnant women with normal glucose tolerance were investigated at 36 weeks of gestation at Uppsala University Hospital. Levels of adipokines were related to rates of glucose production and lipolysis, maternal body composition, insulin resistance, resting energy expenditure and estimated fetal weights. Rates of glucose production and lipolysis were estimated by stable isotope dilution technique. Median (range) rate of glucose production was 805 (653-1337) μmol/min and that of glycerol production, reflecting lipolysis, was 214 (110-576) μmol/min. HOMA insulin resistance averaged 1.5 ± 0.75 and estimated fetal weights ranged between 2670 and 4175 g (-0.2 to 2.7 SDS). Mean concentration of adiponectin was 7.2 ± 2.5mg/L and median level of leptin was 47.1 (9.9-58.0) μg/L. Adiponectin concentrations (7.2 ± 2.5mg/L) correlated inversely with maternal fat mass, insulin resistance, glucose production and fetal weight, r=-0.50, p<0.035, r=-0.77, p<0.001, r=-0.67, p<0.002, and r=-0.51, p<0.032, respectively. Leptin concentrations correlated with maternal fat mass and insulin resistance, r=0.76, p<0.001 and r=0.73, p<0.001, respectively. There was no correlation between maternal levels of leptin and rate of glucose production or fetal weight. Neither were any correlations found between levels of leptin or adiponectin and maternal lipolysis or resting energy expenditure. The inverse correlations between levels of maternal adiponectin and insulin resistance as well as endogenous glucose production rates indicate that low levels of adiponectin in obese pregnant women may represent one mechanism behind increased fetal size. Maternal levels of leptin are linked to maternal fat mass and its metabolic consequences, but the data indicate that leptin lacks a regulatory role with regard to maternal lipolysis in late pregnancy. Copyright © 2012 Elsevier Ireland Ltd. All rights reserved.

Role of Ongoing, Intrinsic Activity of Neuronal Populations for Quantitative Neuroimaging of Functional Magnetic Resonance Imaging–Based Networks

PubMed Central

Herman, Peter; Sanganahalli, Basavaraju G.; Coman, Daniel; Blumenfeld, Hal; Rothman, Douglas L.

2011-01-01

Abstract A primary objective in neuroscience is to determine how neuronal populations process information within networks. In humans and animal models, functional magnetic resonance imaging (fMRI) is gaining increasing popularity for network mapping. Although neuroimaging with fMRI—conducted with or without tasks—is actively discovering new brain networks, current fMRI data analysis schemes disregard the importance of the total neuronal activity in a region. In task fMRI experiments, the baseline is differenced away to disclose areas of small evoked changes in the blood oxygenation level-dependent (BOLD) signal. In resting-state fMRI experiments, the spotlight is on regions revealed by correlations of tiny fluctuations in the baseline (or spontaneous) BOLD signal. Interpretation of fMRI-based networks is obscured further, because the BOLD signal indirectly reflects neuronal activity, and difference/correlation maps are thresholded. Since the small changes of BOLD signal typically observed in cognitive fMRI experiments represent a minimal fraction of the total energy/activity in a given area, the relevance of fMRI-based networks is uncertain, because the majority of neuronal energy/activity is ignored. Thus, another alternative for quantitative neuroimaging of fMRI-based networks is a perspective in which the activity of a neuronal population is accounted for by the demanded oxidative energy (CMRO2). In this article, we argue that network mapping can be improved by including neuronal energy/activity of both the information about baseline and small differences/fluctuations of BOLD signal. Thus, total energy/activity information can be obtained through use of calibrated fMRI to quantify differences of ΔCMRO2 and through resting-state positron emission tomography/magnetic resonance spectroscopy measurements for average CMRO2. PMID:22433047

Estimating small amplitude tremor sources

NASA Astrophysics Data System (ADS)

Katakami, S.; Ito, Y.; Ohta, K.

2017-12-01

Various types of slow earthquakes have been recently observed at both the updip and downdip edges of the coseismic slip areas [Obara and Kato, 2016]. Frequent occurrence of slow earthquakes may help us to reveal the physics underlying megathrust events as useful analogs. Maeda and Obara [2009] estimated spatiotemporal distribution of seismic energy radiation from low-frequency tremors. They applied their method to only the tremors, whose hypocenters had been decided with multiple station method. However, recently Katakami et al. (2016) identified a lot of continuous tremors with small amplitude that were not recorded multiple stations. These small events should be important to reveal the whole slow earthquake activity and to understand strain condition around a plate boundary in subduction zones. First, we apply the modified frequency scanning method (mFSM) at a single station to NIED Hi-net data in the southwestern Japan to understand whole tremor activity which were included weak signal tremors. Second, we developed a method to identify the tremor source area by using the difference of apparent tremor energy at each station by mFSM. We estimated the apparent source tremor energy after correcting both site amplification factor and geometrical spreading. Finally we calculate a tremor source area if the difference of apparent tremor energy between each pair of sites is the smallest. We checked a validity of this analysis by using only tremors which were already detected by envelope correlation method [Idehara et al., 2014]. We calculated the average amplitude as apparent tremor energy in 5 minutes window after occurring tremor at each station. Our results almost consistent to hypocenters which were determined the envelope correlation method. We successfully determined apparent tremor source areas of weak continuous tremors after estimating possible tremor occurrence time windows by using mFSM.

16 CFR 305.10 - Ranges of comparability on the required labels.

Code of Federal Regulations, 2014 CFR

2014-01-01

... cost. The Representative Average Unit Energy Cost figures to be used on labels as required by § 305.11... Commission shall publish revised Representative Average Unit Energy Cost figures in the Federal Register in... ACTS OF CONGRESS ENERGY AND WATER USE LABELING FOR CONSUMER PRODUCTS UNDER THE ENERGY POLICY AND...

Average bond energies between boron and elements of the fourth, fifth, sixth, and seventh groups of the periodic table

NASA Technical Reports Server (NTRS)

Altshuller, Aubrey P

1955-01-01

The average bond energies D(gm)(B-Z) for boron-containing molecules have been calculated by the Pauling geometric-mean equation. These calculated bond energies are compared with the average bond energies D(exp)(B-Z) obtained from experimental data. The higher values of D(exp)(B-Z) in comparison with D(gm)(B-Z) when Z is an element in the fifth, sixth, or seventh periodic group may be attributed to resonance stabilization or double-bond character.

Spectrally resolved opacities and Rosseland and Planck mean opacities of lowly ionized gold plasmas: a detailed level-accounting investigation.

PubMed

Zeng, Jiaolong; Yuan, Jianmin

2007-08-01

Calculation details of radiative opacity for lowly ionized gold plasmas by using our developed fully relativistic detailed level-accounting approach are presented to show the importance of accurate atomic data for a quantitative reproduction of the experimental observations. Even though a huge number of transition lines are involved in the radiative absorption of high- Z plasmas so that one believes that statistical models can often give a reasonable description of their opacities, we first show in detail that an adequate treatment of physical effects, in particular the configuration interaction (including the core-valence electron correlation), is essential to produce atomic data of bound-bound and bound-free processes for gold plasmas, which are accurate enough to correctly explain the relative intensity of two strong absorption peaks experimentally observed located near photon energy of 70 and 80 eV. A detailed study is also carried out for gold plasmas of an average ionization degree sequence of 10, for both spectrally resolved opacities and Rosseland and Planck means. For comparison, results obtained by using an average atom model are also given to show that even for a relatively higher density of matter, correlation effects are also important to predict the correct positions of absorption peaks of transition arrays.

Limitations of signal averaging due to temporal correlation in laser remote-sensing measurements.

PubMed

Menyuk, N; Killinger, D K; Menyuk, C R

1982-09-15

Laser remote sensing involves the measurement of laser-beam transmission through the atmosphere and is subject to uncertainties caused by strong fluctuations due primarily to speckle, glint, and atmospheric-turbulence effects. These uncertainties are generally reduced by taking average values of increasing numbers of measurements. An experiment was carried out to directly measure the effect of signal averaging on back-scattered laser return signals from a diffusely reflecting target using a direct-detection differential-absorption lidar (DIAL) system. The improvement in accuracy obtained by averaging over increasing numbers of data points was found to be smaller than that predicted for independent measurements. The experimental results are shown to be in excellent agreement with a theoretical analysis which considers the effect of temporal correlation. The analysis indicates that small but long-term temporal correlation severely limits the improvement available through signal averaging.

Development and validation of a food frequency questionnaire for dietary intake assessment among multi-ethnic primary school-aged children

PubMed Central

Fatihah, Fadil; Ng, Boon Koon; Hazwanie, Husin; Norimah, A Karim; Shanita, Safii Nik; Ruzita, Abd Talib; Poh, Bee Koon

2015-01-01

INTRODUCTION This study aimed to develop and validate a food frequency questionnaire (FFQ) to assess habitual diets of multi-ethnic Malaysian children aged 7–12 years. METHODS A total of 236 primary school children participated in the development of the FFQ and 209 subjects participated in the validation study, with a subsample of 30 subjects participating in the reproducibility study. The FFQ, consisting of 94 food items from 12 food groups, was compared with a three-day dietary record (3DR) as the reference method. The reproducibility of the FFQ was assessed through repeat administration (FFQ2), seven days after the first administration (FFQ1). RESULTS The results of the validation study demonstrated good acceptance of the FFQ. Mean intake of macronutrients in FFQ1 and 3DR correlated well, although the FFQ intake data tended to be higher. Cross-classification of nutrient intake between the two methods showed that < 7% of subjects were grossly misclassified. Moderate correlations noted between the two methods ranged from r = 0.310 (p < 0.001) for fat to r = 0.497 (p < 0.001) for energy. The reproducibility of the FFQ, as assessed by Cronbach’s alpha, ranged from 0.61 (protein) to 0.70 (energy, carbohydrates and fat). Spearman’s correlations between FFQ1 and FFQ2 ranged from rho = 0.333 (p = 0.072) for protein to rho = 0.479 (p < 0.01) for fat. CONCLUSION These findings indicate that the FFQ is valid and reliable for measuring the average intake of energy and macronutrients in a population of multi-ethnic children aged 7–12 years in Malaysia. PMID:26702165

Parallel Large-scale Semidefinite Programming for Strong Electron Correlation: Using Correlation and Entanglement in the Design of Efficient Energy-Transfer Mechanisms

DTIC Science & Technology

2014-09-24

which nature uses strong electron correlation for efficient energy transfer, particularly in photosynthesis and bioluminescence, (ii) providing an...strong electron correlation for efficient energy transfer, particularly in photosynthesis and bioluminescence, (ii) providing an innovative paradigm...efficient energy transfer, particularly in photosynthesis and bioluminescence, (ii) providing an innovative paradigm for energy transfer in photovoltaic

Atomic-scale reversibility in sheared glasses

NASA Astrophysics Data System (ADS)

Fan, Meng; Wang, Minglei; Liu, Yanhui; Schroers, Jan; Shattuck, Mark; O'Hern, Corey

Systems become irreversible on a macroscopic scale when they are sheared beyond the yield strain and begin flowing. Using computer simulations of oscillatory shear, we investigate atomic scale reversibility. We employ molecular dynamics simulations to cool binary Lennard-Jones liquids to zero temperature over a wide range of cooling rates. We then apply oscillatory quasistatic shear at constant pressure to the zero-temperature glasses and identify neighbor-switching atomic rearrangement events. We determine the critical strain γ*, beyond which atoms in the system do not return to their original positions upon reversing the strain. We show that for more slowly cooled glasses, the average potential energy is lower and the typical size of atomic rearrangements is smaller, which correlates with larger γ*. Finally, we connect atomic- and macro-scale reversibility by determining the number of and correlations between the atomic rearrangements that occur as the system reaches the yield strain.

A nematomorph parasite explains variation in terrestrial subsidies to trout streams in Japan

USGS Publications Warehouse

Sato, Takuya; Watanabe, Katsutoshi; Tokuchi, Naoko; Kamauchi, Hiromitsu; Harada, Yasushi; Lafferty, Kevin D.

2011-01-01

Nematomorph parasites alter the behavior of their orthopteran hosts, driving them to water and creating a source of food for stream salmonids. We investigated whether nematomorphs could explain variation in terrestrial subsidies across several streams. In nine study streams, orthopterans comprise much of the stomach contents of trout (46 +/- 31% on average). Total mass of ingested prey per trout biomass positively correlated with the mass of orthopterans ingested, suggesting that the orthopterans enhanced absolute mass of prey consumption by the trout population. The orthopterans ingested per trout biomass positively correlated with the abundance of nematomorphs in the stream, but not with the abundance of camel crickets (the dominant hosts) around the streams. Streams in conifer plantations had fewer nematomorphs than streams in natural deciduous forests. These results provide the first quantitative evidence that a manipulative parasite can explain variation in the allochthonous energy flow through and across ecosystems.

Detection of Upscale-Crop and Partial Manipulation in Surveillance Video Based on Sensor Pattern Noise

PubMed Central

Hyun, Dai-Kyung; Ryu, Seung-Jin; Lee, Hae-Yeoun; Lee, Heung-Kyu

2013-01-01

In many court cases, surveillance videos are used as significant court evidence. As these surveillance videos can easily be forged, it may cause serious social issues, such as convicting an innocent person. Nevertheless, there is little research being done on forgery of surveillance videos. This paper proposes a forensic technique to detect forgeries of surveillance video based on sensor pattern noise (SPN). We exploit the scaling invariance of the minimum average correlation energy Mellin radial harmonic (MACE-MRH) correlation filter to reliably unveil traces of upscaling in videos. By excluding the high-frequency components of the investigated video and adaptively choosing the size of the local search window, the proposed method effectively localizes partially manipulated regions. Empirical evidence from a large database of test videos, including RGB (Red, Green, Blue)/infrared video, dynamic-/static-scene video and compressed video, indicates the superior performance of the proposed method. PMID:24051524

Outdoor Performance of a Thin-Film Gallium-Arsenide Photovoltaic Module

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

Silverman, T. J.; Deceglie, M. G.; Marion, B.

2013-06-01

We deployed a 855 cm2 thin-film, single-junction gallium arsenide (GaAs) photovoltaic (PV) module outdoors. Due to its fundamentally different cell technology compared to silicon (Si), the module responds differently to outdoor conditions. On average during the test, the GaAs module produced more power when its temperature was higher. We show that its maximum-power temperature coefficient, while actually negative, is several times smaller in magnitude than that of a Si module used for comparison. The positive correlation of power with temperature in GaAs is due to temperature-correlated changes in the incident spectrum. We show that a simple correction based on precipitablemore » water vapor (PWV) brings the photocurrent temperature coefficient into agreement with that measured by other methods and predicted by theory. The low operating temperature and small temperature coefficient of GaAs give it an energy production advantage in warm weather.« less

Stochastic mixing of protons from chaotic orbits in the nightside geomagnetosphere

NASA Technical Reports Server (NTRS)

Horton, W.; Liu, C.; Hernandez, J.; Tajima, T.

1991-01-01

The stochastic mixing of protons in the energy range from 1 to 30 keV in the nightside magnetosphere is studied by calculating the local divergence rate of neighboring orbits and the two-time velocity correlation function. The rate of divergence of neighboring bundles of trajectories is shown to have large bursts with average separation times of order 1 minute per e-folding during the crossing of the central plasma sheet in the region beyond -50 Re. For the Tsyganenko magnetosphere the net amount of orbit divergence is 15 to 20 e-foldings in one hour. The velocity correlations are shown to decay as power laws r-m with a distribution of m values. These results indicate that for short time (less than 1 hour) there is reversibility and memory for the protons but for longer times there is no memory for protons in the nightside magnetosphere.

Evaluating the accuracy of SHAPE-directed RNA secondary structure predictions

PubMed Central

Sükösd, Zsuzsanna; Swenson, M. Shel; Kjems, Jørgen; Heitsch, Christine E.

2013-01-01

Recent advances in RNA structure determination include using data from high-throughput probing experiments to improve thermodynamic prediction accuracy. We evaluate the extent and nature of improvements in data-directed predictions for a diverse set of 16S/18S ribosomal sequences using a stochastic model of experimental SHAPE data. The average accuracy for 1000 data-directed predictions always improves over the original minimum free energy (MFE) structure. However, the amount of improvement varies with the sequence, exhibiting a correlation with MFE accuracy. Further analysis of this correlation shows that accurate MFE base pairs are typically preserved in a data-directed prediction, whereas inaccurate ones are not. Thus, the positive predictive value of common base pairs is consistently higher than the directed prediction accuracy. Finally, we confirm sequence dependencies in the directability of thermodynamic predictions and investigate the potential for greater accuracy improvements in the worst performing test sequence. PMID:23325843

The correcting method for the estimation of correlation energies of MF2 (M = Be, Mg, Ca) set molecules

NASA Astrophysics Data System (ADS)

Zhuo, Shuping; Wei, Jichong; Ju, Guanzhi

The intrapair and interpair correlation energies of MF2 (M = Be, Mg, Ca) set molecules are calculated and analysed, and the transferability of inner core correlation effects of Mδ+ are investigated. A detailed analysis of the comparison of correlation energies of neutral atoms with their corresponding ions of Mδ+ and Fδ-/2 is given in terms of the correlation contribution of this component. The study reveals that the total correlation energy of MF2 molecules can be obtained by summing the correlation contributions of Mδ+ and two Fδ-/2 components. This simple estimation method does shed light on the importance of searching useful means for the calculation of electron correlation energy for large biological systems.

Smoothing effect for spatially distributed renewable resources and its impact on power grid robustness.

PubMed

Nagata, Motoki; Hirata, Yoshito; Fujiwara, Naoya; Tanaka, Gouhei; Suzuki, Hideyuki; Aihara, Kazuyuki

2017-03-01

In this paper, we show that spatial correlation of renewable energy outputs greatly influences the robustness of the power grids against large fluctuations of the effective power. First, we evaluate the spatial correlation among renewable energy outputs. We find that the spatial correlation of renewable energy outputs depends on the locations, while the influence of the spatial correlation of renewable energy outputs on power grids is not well known. Thus, second, by employing the topology of the power grid in eastern Japan, we analyze the robustness of the power grid with spatial correlation of renewable energy outputs. The analysis is performed by using a realistic differential-algebraic equations model. The results show that the spatial correlation of the energy resources strongly degrades the robustness of the power grid. Our results suggest that we should consider the spatial correlation of the renewable energy outputs when estimating the stability of power grids.

A study of Solar-Enso correlation with southern Brazil tree ring index (1955- 1991)

NASA Astrophysics Data System (ADS)

Rigozo, N.; Nordemann, D.; Vieira, L.; Echer, E.

The effects of solar activity and El Niño-Southern Oscillation on tree growth in Southern Brazil were studied by correlation analysis. Trees for this study were native Araucaria (Araucaria Angustifolia)from four locations in Rio Grande do Sul State, in Southern Brazil: Canela (29o18`S, 50o51`W, 790 m asl), Nova Petropolis (29o2`S, 51o10`W, 579 m asl), Sao Francisco de Paula (29o25`S, 50o24`W, 930 m asl) and Sao Martinho da Serra (29o30`S, 53o53`W, 484 m asl). From these four sites, an average tree ring Index for this region was derived, for the period 1955-1991. Linear correlations were made on annual and 10 year running averages of this tree ring Index, of sunspot number Rz and SOI. For annual averages, the correlation coefficients were low, and the multiple regression between tree ring and SOI and Rz indicates that 20% of the variance in tree rings was explained by solar activity and ENSO variability. However, when the 10 year running averages correlations were made, the coefficient correlations were much higher. A clear anticorrelation is observed between SOI and Index (r=-0.81) whereas Rz and Index show a positive correlation (r=0.67). The multiple regression of 10 year running averages indicates that 76% of the variance in tree ring INdex was explained by solar activity and ENSO. These results indicate that the effects of solar activity and ENSO on tree rings are better seen on long timescales.

Energy Levels, Lifetimes, and Transition Rates for P-like Ions from Cr X to Zn XVI from Large-scale Relativistic Multiconfiguration Calculations

NASA Astrophysics Data System (ADS)

Wang, K.; Jönsson, P.; Gaigalas, G.; Radžiūtė, L.; Rynkun, P.; Del Zanna, G.; Chen, C. Y.

2018-04-01

The fully relativistic multiconfiguration Dirac–Hartree–Fock method is used to compute excitation energies and lifetimes for the 143 lowest states of the 3{s}23{p}3, 3s3p 4, 3{s}23{p}23d, 3s3p 33d, 3p 5, 3{s}23p3{d}2 configurations in P-like ions from Cr X to Zn XVI. Multipole (E1, M1, E2, M2) transition rates, line strengths, oscillator strengths, and branching fractions among these states are also given. Valence–valence and core–valence electron correlation effects are systematically accounted for using large basis function expansions. Computed excitation energies are compared with the NIST ASD and CHIANTI compiled values and previous calculations. The mean average absolute difference, removing obvious outliers, between computed and observed energies for the 41 lowest identified levels in Fe XII, is only 0.057%, implying that the computed energies are accurate enough to aid identification of new emission lines from the Sun and other astrophysical sources. The amount of energy and transition data of high accuracy are significantly increased for several P-like ions of astrophysics interest, where experimental data are still very scarce.

Optimizing Spectroscopic and Photometric Galaxy Surveys: Same-Sky Benefits for Dark Energy and Modified Gravity

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

Kirk, Donnacha; Lahav, Ofer; Bridle, Sarah

The combination of multiple cosmological probes can produce measurements of cosmological parameters much more stringent than those possible with any individual probe. We examine the combination of two highly correlated probes of late-time structure growth: (i) weak gravitational lensing from a survey with photometric redshifts and (ii) galaxy clustering and redshift space distortions from a survey with spectroscopic redshifts. We choose generic survey designs so that our results are applicable to a range of current and future photometric redshift (e.g. KiDS, DES, HSC, Euclid) and spectroscopic redshift (e.g. DESI, 4MOST, Sumire) surveys. Combining the surveys greatly improves their power tomore » measure both dark energy and modified gravity. An independent, non-overlapping combination sees a dark energy figure of merit more than 4 times larger than that produced by either survey alone. The powerful synergies between the surveys are strongest for modified gravity, where their constraints are orthogonal, producing a non-overlapping joint figure of merit nearly 2 orders of magnitude larger than either alone. Our projected angular power spectrum formalism makes it easy to model the cross-correlation observable when the surveys overlap on the sky, producing a joint data vector and full covariance matrix. We calculate a same-sky improvement factor, from the inclusion of these cross-correlations, relative to non-overlapping surveys. We find nearly a factor of 4 for dark energy and more than a factor of 2 for modified gravity. The exact forecast figures of merit and same-sky benefits can be radically affected by a range of forecasts assumption, which we explore methodically in a sensitivity analysis. We show that that our fiducial assumptions produce robust results which give a good average picture of the science return from combining photometric and spectroscopic surveys.« less

Breast Tissue Characterization with Photon-counting Spectral CT Imaging: A Postmortem Breast Study

PubMed Central

Ding, Huanjun; Klopfer, Michael J.; Ducote, Justin L.; Masaki, Fumitaro

2014-01-01

Purpose To investigate the feasibility of breast tissue characterization in terms of water, lipid, and protein contents with a spectral computed tomographic (CT) system based on a cadmium zinc telluride (CZT) photon-counting detector by using postmortem breasts. Materials and Methods Nineteen pairs of postmortem breasts were imaged with a CZT-based photon-counting spectral CT system with beam energy of 100 kVp. The mean glandular dose was estimated to be in the range of 1.8–2.2 mGy. The images were corrected for pulse pile-up and other artifacts by using spectral distortion corrections. Dual-energy decomposition was then applied to characterize each breast into water, lipid, and protein contents. The precision of the three-compartment characterization was evaluated by comparing the composition of right and left breasts, where the standard error of the estimations was determined. The results of dual-energy decomposition were compared by using averaged root mean square to chemical analysis, which was used as the reference standard. Results The standard errors of the estimations of the right-left correlations obtained from spectral CT were 7.4%, 6.7%, and 3.2% for water, lipid, and protein contents, respectively. Compared with the reference standard, the average root mean square error in breast tissue composition was 2.8%. Conclusion Spectral CT can be used to accurately quantify the water, lipid, and protein contents in breast tissue in a laboratory study by using postmortem specimens. © RSNA, 2014 PMID:24814180

Overconsumption of Energy and Excessive Discretionary Food Intake Inflates Dietary Greenhouse Gas Emissions in Australia

PubMed Central

Hendrie, Gilly A.; Baird, Danielle; Ridoutt, Brad; Hadjikakou, Michalis; Noakes, Manny

2016-01-01

Population dietary guidelines have started to include information about the environmental impacts of food choices, but more quantifiable evidence is needed, particularly about the impacts associated with discretionary foods. This paper utilised the 2011–2012 Australian Health Survey food intake data along with a highly disaggregated input–output model to estimate the greenhouse gas emissions (GHGe) of Australians’ dietary intake, and compare current patterns of eating which vary in diet quality and GHGe to the recommended diet. The average dietary GHGe were 18.72 ± 12.06 and 13.73 ± 8.72 kg CO2e/day for male and female adults, respectively. The correlation between total energy and GHGe was r = 0.54 (p < 0.001). Core foods contributed 68.4% and discretionary foods 29.4%. Within core foods, fresh meat and alternatives (33.9%) was the greatest contributor. The modelling of current dietary patterns showed the contribution of discretionary foods to GHGe was 121% greater in the average diet and 307% greater in the “lower quality, higher GHGe” diet compared to the recommended diet. Reducing discretionary food intake would allow for small increases in emissions from core foods (in particular vegetables, dairy and grains), thereby providing a nutritional benefit at little environmental expense. Public health messages that promote healthy eating, eating to one’s energy needs and improved diet quality will also contribute to lowering GHGe. PMID:27809233

Influence of the Surface and Cloud Nonuniformities in the Solar Energy Fluxes in the Arctic

NASA Technical Reports Server (NTRS)

Rozwadowska, A.; Cahalan, R. F.; Einaudi, Franco (Technical Monitor)

2000-01-01

Solar energy fluxes reaching the surface and absorbed by it are basic components of the energy balance of the Arctic. They depend mainly on the solar zenith angle, a state of the atmosphere, especially the cloudiness, and the surface albedo. However, they can also be modified by variabilities in the surface albedo and cloud optical thickness. The surface of the Arctic can be highly nonuniform. The surface of the Arctic Ocean, which covers the huge part of the Arctic can be view as a mosaic of sea water, sea ice, snow and, in the melting period, melting ponds. In our paper, results are presented of Monte Carlo simulations of the expected influence of nonuniform cloud structure and nonuniform surface albedo on radiative fluxes at the Arctic surface. In particular, the plane parallel biases in the surface absorptance and atmospheric transmittance are studied. The bias is defined as the difference between the real absorptance or transmittance (i.e. nonuniform conditions) averaged over a given area, and the uniform or plane parallel case with the same mean cloud optical thickness and the same mean surface albedo. The dependence of the biases is analysed with respect to the following: domain averaged values of the cloud optical thickness and surface albedo, scales of their spatial variabilities, correlation between cloud optical thickness and cloud albedo variabilities, cloud height, and the solar zenith angle. Ranges of means and standard deviations of the input parameters typical of Arctic conditions are obtained from the SHEBA experiment.

Study of Hygrothermal Processes in External Walls with Internal Insulation

NASA Astrophysics Data System (ADS)

Biseniece, Edite; Freimanis, Ritvars; Purvins, Reinis; Gravelsins, Armands; Pumpurs, Aivars; Blumberga, Andra

2018-03-01

Being an important contributor to the final energy consumption, historic buildings built before 1945 have high specific heating energy consumption compared to current energy standards and norms. However, they often cannot be insulated from the outside due to their heritage and culture value. Internal insulation is an alternative. However internal insulation faces challenges related to hygrothermal behaviour leading to mold growth, freezing, deterioration and other risks. The goal of this research is to link hygrothermal simulation results with experimental results for internally insulated historic brick masonry to assess correlation between simulated and measured data as well as the most influential parameters. The study is carried out by both a mathematical simulation tool and laboratory tests of historic masonry with internal insulation with four insulation materials (mineral wool, EPS, wood fiber and granulated aerogel) in a cold climate (average 4000 heating degree days). We found disparity between measured and simulated hygrothermal performance of studied constructions due to differences in material parameters and initial conditions of materials. The latter plays a more important role than material parameters. Under a steady state of conditions, the condensate tolerating system varies between 72.7 % and 80.5 % relative humidity, but in condensate limiting systems relative humidity variates between 73.3 % and 82.3 %. The temperature between the masonry wall and all insulation materials has stabilized on average at +10 °C. Mold corresponding to Mold index 3 was discovered on wood fiber mat.

Microstructural control of charge transport in organic blend thin-film transistors

DOE PAGES

Hunter, Simon; Chen, Jihua; Anthopoulos, Thomas D.

2014-07-17

In this paper, the charge-transport processes in organic p-channel transistors based on the small-molecule 2,8-difluoro-5,11-bis(triethylsilylethynyl)anthradithiophene (diF-TES ADT), the polymer poly(triarylamine)(PTAA) and blends thereof are investigated. In the case of blend films, lateral conductive atomic force microscopy in combination with energy filtered transmission electron microscopy are used to study the evolution of charge transport as a function of blends composition, allowing direct correlation of the film's elemental composition and morphology with hole transport. Low-temperature transport measurements reveal that optimized blend devices exhibit lower temperature dependence of hole mobility than pristine PTAA devices while also providing a narrower bandgap trap distribution thanmore » pristine diF-TES ADT devices. These combined effects increase the mean hole mobility in optimized blends to 2.4 cm 2/Vs; double the value measured for best diF-TES ADT-only devices. The bandgap trap distribution in transistors based on different diF-TES ADT:PTAA blend ratios are compared and the act of blending these semiconductors is seen to reduce the trap distribution width yet increase the average trap energy compared to pristine diF-TES ADT-based devices. In conclusion, our measurements suggest that an average trap energy of <75 meV and a trap distribution of <100 meV is needed to achieve optimum hole mobility in transistors based on diF-TES ADT:PTAA blends.« less

Tensile Fracture of Welded Polymer Interfaces: Miscibility, Entanglements, and Crazing

DOE PAGES

Ge, Ting; Grest, Gary S.; Robbins, Mark O.

2014-09-26

Large-scale molecular simulations are performed to investigate tensile failure of polymer interfaces as a function of welding time t. Changes in the tensile stress, mode of failure and interfacial fracture energy G I are correlated to changes in the interfacial entanglements as determined from Primitive Path Analysis. Bulk polymers fail through craze formation, followed by craze breakdown through chain scission. At small t welded interfaces are not strong enough to support craze formation and fail at small strains through chain pullout at the interface. Once chains have formed an average of about one entanglement across the interface, a stable crazemore » is formed throughout the sample. The failure stress of the craze rises with welding time and the mode of craze breakdown changes from chain pullout to chain scission as the interface approaches bulk strength. The interfacial fracture energy G I is calculated by coupling the simulation results to a continuum fracture mechanics model. As in experiment, G I increases as t 1/2 before saturating at the average bulk fracture energy G b. As in previous studies of shear strength, saturation coincides with the recovery of the bulk entanglement density. Before saturation, G I is proportional to the areal density of interfacial entanglements. Immiscibiltiy limits interdiffusion and thus suppresses entanglements at the interface. Even small degrees of immisciblity reduce interfacial entanglements enough that failure occurs by chain pullout and G I << G b.« less

Impact of Pb content on the physical parameters of Se-Te-Pb system

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

Anjali,; Sharma, Raman; Thakur, Nagesh

2015-05-15

In the present study, we have investigated the impact of Pb content on the physical parameters in Se-Te-Pb system via average coordination number, constraints, the fraction of floppy modes, cross-linking density, lone pairs electrons, heat of atomization, mean bond energy, cohesive energy and electronegativity. The bulk samples have been prepared by using melt quenching technique. X-ray diffraction pattern of various samples indicates the amorphous nature of investigated glassy alloys. It is observed that average coordination number, average number of constraints and cross-linking density increase with Pb content. However, lone-pair electrons, floppy modes, average heat of atomization, cohesive energy and meanmore » bond energy are found to decrease with Pb atomic percentage.« less

Mixed semiconductor nanocrystal compositions

DOEpatents

Maskaly, Garry R [Los Alamos, NM; Schaller, Richard D [Santa Fe, NM; Klimov, Victor I [Los Alamos, NM

2011-02-15

Composition comprising one or more energy donors and one or more energy acceptors, wherein energy is transferred from the energy donor to the energy acceptor and wherein: the energy acceptor is a colloidal nanocrystal having a lower band gap energy than the energy donor; the energy donor and the energy acceptor are separated by a distance of 40 nm or less; wherein the average peak absorption energy of the acceptor is at least 20 meV greater than the average peak emission energy of the energy donor; and wherein the ratio of the number of energy donors to the number of energy acceptors is from about 2:1 to about 1000:1.

Correlations for CO{sub 2} production from combustion of Turkish coal

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

Oezdogan, S.

1996-12-31

Carbon dioxide is identified as the major contributor to greenhouse gas emissions. About 75% of the anthropogenic CO{sub 2} emissions are due to energy use, and primarily due to fossil-fuel combustion. Future patterns of energy use will dominate the global climate change. Within this frame, comparative evaluation of various carbon-based primary energy sources and related utilization options is of utmost importance. The amount of CO{sub 2} emission per unit energy production is considered as the mutual basis of evaluation among the fuel options. In this study, 39 Turkish coals were selected to represent the broad spectrum of Turkish coal characteristics.more » The lower heating values of the samples range from 6.8 to 30.6 MJ/kg on the as-received basis. The corresponding higher heating value range is 8.2 to 31.6 MJ/kg. The volatile matter to fixed carbon ratios of the selected coals change between 0.520 and 2.05 whereas the C to H weight ratios of dry coals cover a range from 16.4 to 9.8. The exact amount of CO{sub 2} emission per unit heating value is calculated from experimental data. The analysis of the results indicates that linear correlations exist between CO{sub 2} emissions per unit amount lower or higher heating value and the inverse of heating values. The calculated standard errors of estimate are within acceptable limits. The average and maximum errors are 3% and 11%, respectively. The developed formulas are applied to different ranks of coal from Turkey and abroad and results are interpreted.« less

Using ring width correlations to study the effects of plantation density on wood density and anatomical properties of red pine (Pinus resinosa Ait.)

Treesearch

J. Y. Zhu; C. T. Scott; K. L. Scallon; G. C. Myers

2006-01-01

This study demonstrated that average ring width (or average annual radial growth rate) is a reliable parameter to quantify the effects of tree plantation ndensity (growth suppression) on wood density and tracheid anatomical properties. The average ring width successfully correlated wood density and tracheid anatomical properties of red pines (Pinus resinosa Ait.) from...

Average current is better than peak current as therapeutic dosage for biphasic waveforms in a ventricular fibrillation pig model of cardiac arrest.

PubMed

Chen, Bihua; Yu, Tao; Ristagno, Giuseppe; Quan, Weilun; Li, Yongqin

2014-10-01

Defibrillation current has been shown to be a clinically more relevant dosing unit than energy. However, the effects of average and peak current in determining shock outcome are still undetermined. The aim of this study was to investigate the relationship between average current, peak current and defibrillation success when different biphasic waveforms were employed. Ventricular fibrillation (VF) was electrically induced in 22 domestic male pigs. Animals were then randomized to receive defibrillation using one of two different biphasic waveforms. A grouped up-and-down defibrillation threshold-testing protocol was used to maintain the average success rate of 50% in the neighborhood. In 14 animals (Study A), defibrillations were accomplished with either biphasic truncated exponential (BTE) or rectilinear biphasic waveforms. In eight animals (Study B), shocks were delivered using two BTE waveforms that had identical peak current but different waveform durations. Both average and peak currents were associated with defibrillation success when BTE and rectilinear waveforms were investigated. However, when pathway impedance was less than 90Ω for the BTE waveform, bivariate correlation coefficient was 0.36 (p=0.001) for the average current, but only 0.21 (p=0.06) for the peak current in Study A. In Study B, a high defibrillation success (67.9% vs. 38.8%, p<0.001) was observed when the waveform delivered more average current (14.9±2.1A vs. 13.5±1.7A, p<0.001) while keeping the peak current unchanged. In this porcine model of VF, average current was better than peak current to be an adequate parameter to describe the therapeutic dosage when biphasic defibrillation waveforms were used. The institutional protocol number: P0805. Copyright © 2014 Elsevier Ireland Ltd. All rights reserved.

Top-of-Atmosphere Direct Radiative Effect of Aerosols from the Clouds and the Earth's Radiant Energy System Satellite Instrument (CERES)

NASA Technical Reports Server (NTRS)

Loeb, N. G.; Kato, S.

2002-01-01

Nine months of CERES/TRMM broadband fluxes combined with VIRS high-resolution imager measurements are used to estimate the daily average direct radiative effect of aerosols for clear-sky conditions over the tropical oceans. On average, aerosols have a cooling effect over the tropics of 4.6 +/- 1 W/sq m. The magnitude is approx.2 W/sq m smaller over the southern tropical oceans than it is over northern tropical oceans. The direct effect derived from CERES is highly correlated with coincident aerosol optical depth retrievals inferred from 0.63 microns VIRS radiances (correlation coefficient of 0.96). The slope of the regression line is approx. -32 W/sq m/t over the equatorial Pacific Ocean, but changes both regionally and seasonally, depending on the aerosol characteristics. Near sources of biomass burning and desert dust, the aerosol direct effect reaches -25 W sq m to -30 W/sq m. The direct effect from CERES also shows a dependence on wind speed. The reason for this dependence is unclear-it may be due to increased aerosol (e.g. sea-salt or aerosol transport) or increased surface reflection (e.g. due to whitecaps). The uncertainty in the tropical average direct effect from CERES is approx. 1 W/sq m (approx. 20%) due mainly to cloud contamination, the radiance-to-flux conversion, and instrument calibration. By comparison, uncertainties in the direct effect from the ERBE and CERES "ERBE-Like" products are a factor of 3 to 5 larger.

A study of the b-quark fragmentation function with the DELPHI detector at LEP I and an averaged distribution obtained at the Z Pole

NASA Astrophysics Data System (ADS)

Abdallah, J.; Abreu, P.; Adam, W.; Adzic, P.; Albrecht, T.; Alemany-Fernandez, R.; Allmendinger, T.; Allport, P. P.; Amaldi, U.; Amapane, N.; Amato, S.; Anashkin, E.; Andreazza, A.; Andringa, S.; Anjos, N.; Antilogus, P.; Apel, W.-D.; Arnoud, Y.; Ask, S.; Asman, B.; Augustin, J. E.; Augustinus, A.; Baillon, P.; Ballestrero, A.; Bambade, P.; Barbier, R.; Bardin, D.; Barker, G. J.; Baroncelli, A.; Battaglia, M.; Baubillier, M.; Becks, K.-H.; Begalli, M.; Behrmann, A.; Ben-Haim, E.; Benekos, N.; Benvenuti, A.; Berat, C.; Berggren, M.; Bertrand, D.; Besancon, M.; Besson, N.; Bloch, D.; Blom, M.; Bluj, M.; Bonesini, M.; Boonekamp, M.; Booth, P. S. L.; Borisov, G.; Botner, O.; Bouquet, B.; Bowcock, T. J. V.; Boyko, I.; Bracko, M.; Brenner, R.; Brodet, E.; Bruckman, P.; Brunet, J. M.; Buschbeck, B.; Buschmann, P.; Calvi, M.; Camporesi, T.; Canale, V.; Carena, F.; Castro, N.; Cavallo, F.; Chapkin, M.; Charpentier, Ph.; Checchia, P.; Chierici, R.; Chliapnikov, P.; Chudoba, J.; Chung, S. U.; Cieslik, K.; Collins, P.; Contri, R.; Cosme, G.; Cossutti, F.; Costa, M. J.; Crennell, D.; Cuevas, J.; D'Hondt, J.; da Silva, T.; Da Silva, W.; Della Ricca, G.; De Angelis, A.; De Boer, W.; De Clercq, C.; De Lotto, B.; De Maria, N.; De Min, A.; de Paula, L.; Di Ciaccio, L.; Di Simone, A.; Doroba, K.; Drees, J.; Eigen, G.; Ekelof, T.; Ellert, M.; Elsing, M.; Espirito Santo, M. C.; Fanourakis, G.; Fassouliotis, D.; Feindt, M.; Fernandez, J.; Ferrer, A.; Ferro, F.; Flagmeyer, U.; Foeth, H.; Fokitis, E.; Fulda-Quenzer, F.; Fuster, J.; Gandelman, M.; Garcia, C.; Gavillet, Ph.; Gazis, E.; Gokieli, R.; Golob, B.; Gomez-Ceballos, G.; Goncalves, P.; Graziani, E.; Grosdidier, G.; Grzelak, K.; Guy, J.; Haag, C.; Hallgren, A.; Hamacher, K.; Hamilton, K.; Haug, S.; Hauler, F.; Hedberg, V.; Hennecke, M.; Hoffman, J.; Holmgren, S.-O.; Holt, P. J.; Houlden, M. A.; Jackson, J. N.; Jarlskog, G.; Jarry, P.; Jeans, D.; Johansson, E. K.; Jonsson, P.; Joram, C.; Jungermann, L.; Kapusta, F.; Katsanevas, S.; Katsoufis, E.; Kernel, G.; Kersevan, B. P.; Kerzel, U.; King, B. T.; Kjaer, N. J.; Kluit, P.; Kokkinias, P.; Kourkoumelis, C.; Kouznetsov, O.; Krumstein, Z.; Kucharczyk, M.; Lamsa, J.; Leder, G.; Ledroit, F.; Leinonen, L.; Leitner, R.; Lemonne, J.; Lepeltier, V.; Lesiak, T.; Liebig, W.; Liko, D.; Lipniacka, A.; Lopes, J. H.; Lopez, J. M.; Loukas, D.; Lutz, P.; Lyons, L.; MacNaughton, J.; Malek, A.; Maltezos, S.; Mandl, F.; Marco, J.; Marco, R.; Marechal, B.; Margoni, M.; Marin, J.-C.; Mariotti, C.; Markou, A.; Martinez-Rivero, C.; Masik, J.; Mastroyiannopoulos, N.; Matorras, F.; Matteuzzi, C.; Mazzucato, F.; Mazzucato, M.; Mc Nulty, R.; Meroni, C.; Migliore, E.; Mitaroff, W.; Mjoernmark, U.; Moa, T.; Moch, M.; Moenig, K.; Monge, R.; Montenegro, J.; Moraes, D.; Moreno, S.; Morettini, P.; Mueller, U.; Muenich, K.; Mulders, M.; Mundim, L.; Murray, W.; Muryn, B.; Myatt, G.; Myklebust, T.; Nassiakou, M.; Navarria, F.; Nawrocki, K.; Nemecek, S.; Nicolaidou, R.; Nikolenko, M.; Oblakowska-Mucha, A.; Obraztsov, V.; Olshevski, A.; Onofre, A.; Orava, R.; Osterberg, K.; Ouraou, A.; Oyanguren, A.; Paganoni, M.; Paiano, S.; Palacios, J. P.; Palka, H.; Papadopoulou, Th. D.; Pape, L.; Parkes, C.; Parodi, F.; Parzefall, U.; Passeri, A.; Passon, O.; Peralta, L.; Perepelitsa, V.; Perrotta, A.; Petrolini, A.; Piedra, J.; Pieri, L.; Pierre, F.; Pimenta, M.; Piotto, E.; Podobnik, T.; Poireau, V.; Pol, M. E.; Polok, G.; Pozdniakov, V.; Pukhaeva, N.; Pullia, A.; Radojicic, D.; Rebecchi, P.; Rehn, J.; Reid, D.; Reinhardt, R.; Renton, P.; Richard, F.; Ridky, J.; Rivero, M.; Rodriguez, D.; Romero, A.; Ronchese, P.; Roudeau, P.; Rovelli, T.; Ruhlmann-Kleider, V.; Ryabtchikov, D.; Sadovsky, A.; Salmi, L.; Salt, J.; Sander, C.; Savoy-Navarro, A.; Schwickerath, U.; Sekulin, R.; Siebel, M.; Sisakian, A.; Smadja, G.; Smirnova, O.; Sokolov, A.; Sopczak, A.; Sosnowski, R.; Spassov, T.; Stanitzki, M.; Stocchi, A.; Strauss, J.; Stugu, B.; Szczekowski, M.; Szeptycka, M.; Szumlak, T.; Tabarelli, T.; Tegenfeldt, F.; Timmermans, J.; Tkatchev, L.; Tobin, M.; Todorovova, S.; Tome, B.; Tonazzo, A.; Tortosa, P.; Travnicek, P.; Treille, D.; Tristram, G.; Trochimczuk, M.; Troncon, C.; Turluer, M.-L.; Tyapkin, I. A.; Tyapkin, P.; Tzamarias, S.; Uvarov, V.; Valenti, G.; Van Dam, P.; Van Eldik, J.; van Remortel, N.; Van Vulpen, I.; Vegni, G.; Veloso, F.; Venus, W.; Verdier, P.; Verzi, V.; Vilanova, D.; Vitale, L.; Vrba, V.; Wahlen, H.; Washbrook, A. J.; Weiser, C.; Wicke, D.; Wickens, J.; Wilkinson, G.; Winter, M.; Witek, M.; Yushchenko, O.; Zalewska, A.; Zalewski, P.; Zavrtanik, D.; Zhuravlov, V.; Zimin, N. I.; Zintchenko, A.; Zupan, M.

2011-02-01

The nature of b-quark jet hadronisation has been investigated using data taken at the Z peak by the DELPHI detector at LEP. Two complementary methods are used to reconstruct the energy of weakly decaying b-hadrons, EB^{weak}. The average value of x^{weak}B = EB^{weak}/E_{beam} is measured to be 0.699±0.011. The resulting x^{weak}B distribution is then analysed in the framework of two choices for the perturbative contribution (parton shower and Next to Leading Log QCD calculation) in order to extract measurements of the non-perturbative contribution to be used in studies of b-hadron production in other experimental environments than LEP. In the parton shower framework, data favour the Lund model ansatz and corresponding values of its parameters have been determined within PYTHIA 6.156 from DELPHI data: a= 1.84^{+0.23}_{-0.21}quadandquad b=0.642^{+0.073}_{-0.063} GeV^{-2}, with a correlation factor ρ=92.2%. Combining the data on the b-quark fragmentation distributions with those obtained at the Z peak by ALEPH, OPAL and SLD, the average value of x^{weak}B is found to be 0.7092±0.0025 and the non-perturbative fragmentation component is extracted. Using the combined distribution, a better determination of the Lund parameters is also obtained: a= 1.48^{+0.11}_{-0.10}quadandquad b=0.509^{+0.024}_{-0.023} GeV^{-2}, with a correlation factor ρ=92.6%.

Source Population and Acceleration Location of Suprathermal Heavy Ions in Corotating Interaction Regions

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

Filwett, R. J.; Desai, M. I.; Dayeh, M. A.

2017-03-20

We have analyzed the ∼20–320 keV nucleon{sup −1} suprathermal (ST) heavy ion abundances in 41 corotating interaction regions (CIRs) observed by the Wind spacecraft from 1995 January to 2008 December. Our results are: (1) the CIR Fe/CNO and NeS/CNO ratios vary with the sunspot number, with values being closer to average solar energetic particle event values during solar maxima and lower than nominal solar wind values during solar minima. The physical mechanism responsible for the depleted abundances during solar minimum remains an open question. (2) The Fe/CNO increases with energy in the 6 events that occurred during solar maximum, whilemore » no such trends are observed for the 35 events during solar minimum. (3) The Fe/CNO shows no correlation with the average solar wind speed. (4) The Fe/CNO is well correlated with the corresponding upstream ∼20–320 keV nucleon{sup −1} Fe/CNO and not with the solar wind Fe/O measured by ACE in 31 events. Using the correlations between the upstream ∼20–40 keV nucleon{sup −1} Fe/CNO and the ∼20–320 keV nucleon{sup −1} Fe/CNO in CIRs, we estimate that, on average, the ST particles traveled ∼2 au along the nominal Parker spiral field line, which corresponds to upper limits for the radial distance of the source or acceleration location of ∼1 au beyond Earth orbit. Our results are consistent with those obtained from recent surveys, and confirm that CIR ST heavy ions are accelerated more locally, and are at odds with the traditional viewpoint that CIR ions seen at 1 au are bulk solar wind ions accelerated between 3 and 5 au.« less

Study of baryon production mechanism in e+e- annihilation into hadrons

NASA Astrophysics Data System (ADS)

Topaz Collaboration; Aoki, M.; Itoh, R.; Watanabe, Y.; Kaneyuki, K.; Ohshima, Y.; Ochi, A.; Tanimori, T.; Abe, K.; Abe, T.; Adachi, I.; Adachi, K.; Aoki, M.; Emi, K.; Enomoto, R.; Fujii, H.; Fujii, T.; Fujii, K.; Fujimoto, J.; Fujiwara, N.; Hayashii, H.; Hirano, H.; Howell, B.; Ikeda, H.; Inoue, Y.; Itami, S.; Iwasaki, H.; Iwasaki, M.; Kajikawa, R.; Kato, S.; Kawabata, S.; Kichimi, H.; Kobayashi, M.; Koltick, D.; Levine, I.; Mamada, H.; Miyabayashi, K.; Miyamoto, A.; Nagai, K.; Nakabayashi, K.; Nakamura, M.; Nakano, E.; Nitoh, O.; Noguchi, S.; Ochiai, F.; Ohishi, N.; Ohnishi, Y.; Okuno, H.; Okusawa, T.; Shibata, E.; Sugiyama, A.; Suzuki, S.; Takahashi, K.; Takahashi, T.; Teramoto, Y.; Tauchi, T.; Tomoto, M.; Tsukamoto, T.; Tsumura, T.; Uno, S.; Yamamoto, A.; Yamauchi, M.

1998-11-01

The mechanism of baryon-anti-baryon pair production in e+e- annihilation into hadrons has been studied using the TOPAZ detector at the TRISTAN e+e- collider at an average center-of-mass energy of 58 GeV. The distributions of various p¯p correlations were compared with two prominent models: the cluster-fragmentation model and the string-fragmentation model. We rejected the cluster-fragmentation model at the 90% C.L. Furthermore, in the context of the string-fragmentation model, we favor the ``popcorn'' model, rejecting the ``diquark'' model, where a diquark is considered to be a fundamental entity, at the 95% C.L.

Exclusive J / Ψ vector-meson production in high-energy nuclear collisions

NASA Astrophysics Data System (ADS)

Ramnath, A.; Weigert, H.; Hamilton, A.

2014-12-01

We illustrate the first steps in a cross-section determination for exclusive J / Ψ production in ultra-peripheral heavy ion collisions from two viewpoints. First, the setup for a theoretical calculation is done in the context of the Colour Glass Condensate effective field theory, using the Gaussian truncation to parametrise rapidity-averaged n-point correlators. Secondly, a feasibility study is carried out using STARlight Monte Carlo simulations to predict how many exclusive J / Ψ vector-mesons might be expected in ATLAS at the LHC. In a data set corresponding to 160 μb-1 of total integrated luminosity, about 150 candidate events are expected.

Theory of slightly fluctuating ratchets

NASA Astrophysics Data System (ADS)

Rozenbaum, V. M.; Shapochkina, I. V.; Lin, S. H.; Trakhtenberg, L. I.

2017-04-01

We consider a Brownian particle moving in a slightly fluctuating potential. Using the perturbation theory on small potential fluctuations, we derive a general analytical expression for the average particle velocity valid for both flashing and rocking ratchets with arbitrary, stochastic or deterministic, time dependence of potential energy fluctuations. The result is determined by the Green's function for diffusion in the time-independent part of the potential and by the features of correlations in the fluctuating part of the potential. The generality of the result allows describing complex ratchet systems with competing characteristic times; these systems are exemplified by the model of a Brownian photomotor with relaxation processes of finite duration.

Brain tumor segmentation with Vander Lugt correlator based active contour.

PubMed

Essadike, Abdelaziz; Ouabida, Elhoussaine; Bouzid, Abdenbi

2018-07-01

The manual segmentation of brain tumors from medical images is an error-prone, sensitive, and time-absorbing process. This paper presents an automatic and fast method of brain tumor segmentation. In the proposed method, a numerical simulation of the optical Vander Lugt correlator is used for automatically detecting the abnormal tissue region. The tumor filter, used in the simulated optical correlation, is tailored to all the brain tumor types and especially to the Glioblastoma, which considered to be the most aggressive cancer. The simulated optical correlation, computed between Magnetic Resonance Images (MRI) and this filter, estimates precisely and automatically the initial contour inside the tumorous tissue. Further, in the segmentation part, the detected initial contour is used to define an active contour model and presenting the problematic as an energy minimization problem. As a result, this initial contour assists the algorithm to evolve an active contour model towards the exact tumor boundaries. Equally important, for a comparison purposes, we considered different active contour models and investigated their impact on the performance of the segmentation task. Several images from BRATS database with tumors anywhere in images and having different sizes, contrast, and shape, are used to test the proposed system. Furthermore, several performance metrics are computed to present an aggregate overview of the proposed method advantages. The proposed method achieves a high accuracy in detecting the tumorous tissue by a parameter returned by the simulated optical correlation. In addition, the proposed method yields better performance compared to the active contour based methods with the averages of Sensitivity=0.9733, Dice coefficient = 0.9663, Hausdroff distance = 2.6540, Specificity = 0.9994, and faster with a computational time average of 0.4119 s per image. Results reported on BRATS database reveal that our proposed system improves over the recently published state-of-the-art methods in brain tumor detection and segmentation. Copyright © 2018 Elsevier B.V. All rights reserved.

Movements and bioenergetics of canvasbacks wintering in the upper Chesapeake Bay

USGS Publications Warehouse

Howerter, D.W.

1990-01-01

The movement patterns, range areas and energetics of canvasbacks (Aythya valisineria) wintering in the upper Chesapeake Bay, Maryland, were investigated. Eighty-seven juvenile female canvasbacks were radio-tracked between 30 December 1988 and 25 March 1989. Diurnal time and energy budgets were constructed for a time of day-season matrix for canvasbacks using riverine and main bay habitats. Canvasbacks were very active at night, making regular and often lengthy crepuscular movements (x = 11.7 km) from near shore habitats during the day to off shore habitats at night. Movement patterns were similar for birds using habitats on the eastern and western shores of the Bay. Canvasbacks had extensive home ranges averaging 14,286 ha, and used an average of 1.97 core areas. Sleeping was the predominant diurnal behavior. Telemetry indicated that canvasbacks actively fed at night. Canvasbacks spent more time in active behaviors (e.g. swimming, alert) on the eastern shore than on the western shore. Similarly, canvasbacks were more active during daytime hours at locations where artificial feeding occurred. Behavioral patterns were only weakly correlated with weather patterns. Canvasbacks appeared to reduce energy expenditure in mid-winter by reducing distances moved, reducing feeding activities and increasing the amount of time spent sleeping. This pattern was observed even though 1988-89 mid-winter weather conditions were very mild.

Auto-ignitions of a methane/air mixture at high and intermediate temperatures

NASA Astrophysics Data System (ADS)

Leschevich, V. V.; Martynenko, V. V.; Penyazkov, O. G.; Sevrouk, K. L.; Shabunya, S. I.

2016-09-01

A rapid compression machine (RCM) and a shock tube (ST) have been employed to study ignition delay times of homogeneous methane/air mixtures at intermediate-to-high temperatures. Both facilities allow measurements to be made at temperatures of 900-2000 K, at pressures of 0.38-2.23 MPa, and at equivalence ratios of 0.5, 1.0, and 2.0. In ST experiments, nitrogen served as a diluent gas, whereas in RCM runs the diluent gas composition ranged from pure nitrogen to pure argon. Recording pressure, UV, and visible emissions identified the evolution of chemical reactions. Correlations of ignition delay time were generated from the data for each facility. At temperatures below 1300 K, a significant reduction of average activation energy from 53 to 15.3 kcal/mol was obtained. Moreover, the RCM data showed significant scatter that dramatically increased with decreasing temperature. An explanation for the abnormal scatter in the data was proposed based on the high-speed visualization of auto-ignition phenomena and experiments performed with oxygen-free and fuel-free mixtures. It is proposed that the main reason for such a significant reduction of average activation energy is attributable to the premature ignition of ultrafine particles in the reactive mixture.

From Single-Particle to Superdeformed: a Multitude of Shapes in MERCURY-191 and a New Region of Superdeformation

NASA Astrophysics Data System (ADS)

Ye, Danzhao

In the present work, the first observation of superdeformation in the mass region A ~eq190 is reported. A rotational band of twelve transitions with an average energy spacing of 37 keV, an average dynamic moment of inertia, {cal J}^{(2)}, of 110 hbar^2MeV^ {-1}, and an average transition quadrupole moment of 18 +/- 3 eb has been observed in ^{191}Hg. In addition, a strongly populated superdeformed band in ^ {192}Hg, two excited superdeformed bands in ^{191}Hg and a superdeformed band in ^{190}Hg have also been discovered. All superdeformed bands found in the Hg isotopes possess similar properties such as the average energy spacings, the average moments of inertia, the average transition quadrupole moments etc.... The observations are in excellent agreement with results of cranked Strutinsky calculations which indicate that the superdeformed nuclei correspond to ellipsoidal shapes with an axis ratio of ~1.65:1. Based on the data and comparisons with cranked Woods-Saxon calculations, a microscopic configuration is proposed for each superdeformed band and the role of specific orbitals is discussed. The "doubly magic" character of the superdeformed band in ^{192}Hg is highlighted and the importance of pairing correlations in the limit of very large deformations is addressed. In an attempt to understand the striking observation that "twinned" bands and quantized incremental alignments occur in some of the superdeformed bands of the Hg isotopes, some qualitative arguments within the framework of the strong coupling limit of the rotational model are presented. Based on the same data, the level scheme of ^{191}Hg has been extended to considerably higher spins and many new level structures have been established. Structures of distinct single-particle character have been observed for the first time in this mass region. Through a detailed comparison with cranked shell model calculations, possible quasiparticle configurations are discussed for all the observed rotational bands. The shape-driving effects of high-j orbitals are clarified. Evidence for the onset of triaxiality is also presented.

Replacing dark energy by silent virialisation

NASA Astrophysics Data System (ADS)

Roukema, Boudewijn F.

2018-02-01

Context. Standard cosmological N-body simulations have background scale factor evolution that is decoupled from non-linear structure formation. Prior to gravitational collapse, kinematical backreaction (𝒬𝒟) justifies this approach in a Newtonian context. Aims: However, the final stages of a gravitational collapse event are sudden; a globally imposed smooth expansion rate forces at least one expanding region to suddenly and instantaneously decelerate in compensation for the virialisation event. This is relativistically unrealistic. A more conservative hypothesis is to allow non-collapsed domains to continue their volume evolution according to the 𝒬𝒟 Zel'dovich approximation (QZA). We aim to study the inferred average expansion under this "silent" virialisation hypothesis. Methods: We set standard (MPGRAFIC) EdS 3-torus (T3) cosmological N-body initial conditions. Using RAMSES, we partitioned the volume into domains and called the DTFE library to estimate the per-domain initial values of the three invariants of the extrinsic curvature tensor that determine the QZA. We integrated the Raychaudhuri equation in each domain using the INHOMOG library, and adopted the stable clustering hypothesis to represent virialisation (VQZA). We spatially averaged to obtain the effective global scale factor. We adopted an early-epoch-normalised EdS reference-model Hubble constant H1EdS = 37.7 km s-1 /Mpc and an effective Hubble constant Heff,0 = 67.7 km s-1 /Mpc. Results: From 2000 simulations at resolution 2563, we find that reaching a unity effective scale factor at 13.8 Gyr (16% above EdS), occurs for an averaging scale of L13.813 = 2.5-0.1+0.1 Mpc/heff. Relativistically interpreted, this corresponds to strong average negative curvature evolution, with the mean (median) curvature functional Ωℛ𝒟 growing from zero to about 1.5-2 by the present. Over 100 realisations, the virialisation fraction and super-EdS expansion correlate strongly at fixed cosmological time. Conculsions. Thus, starting from EdS initial conditions and averaging on a typical non-linear structure formation scale, the VQZA dark-energy-free average expansion matches ΛCDM expansion to first order. The software packages used here are free-licensed.

Probability Distribution of Turbulent Kinetic Energy Dissipation Rate in Ocean: Observations and Approximations

NASA Astrophysics Data System (ADS)

Lozovatsky, I.; Fernando, H. J. S.; Planella-Morato, J.; Liu, Zhiyu; Lee, J.-H.; Jinadasa, S. U. P.

2017-10-01

The probability distribution of turbulent kinetic energy dissipation rate in stratified ocean usually deviates from the classic lognormal distribution that has been formulated for and often observed in unstratified homogeneous layers of atmospheric and oceanic turbulence. Our measurements of vertical profiles of micro-scale shear, collected in the East China Sea, northern Bay of Bengal, to the south and east of Sri Lanka, and in the Gulf Stream region, show that the probability distributions of the dissipation rate ɛ˜r in the pycnoclines (r ˜ 1.4 m is the averaging scale) can be successfully modeled by the Burr (type XII) probability distribution. In weakly stratified boundary layers, lognormal distribution of ɛ˜r is preferable, although the Burr is an acceptable alternative. The skewness Skɛ and the kurtosis Kɛ of the dissipation rate appear to be well correlated in a wide range of Skɛ and Kɛ variability.

Stacked search for time shifted high energy neutrinos from gamma ray bursts with the Antares neutrino telescope

NASA Astrophysics Data System (ADS)

Adrián-Martínez, S.; Albert, A.; André, M.; Anghinolfi, M.; Anton, G.; Ardid, M.; Aubert, J.-J.; Baret, B.; Barrios-Marti, J.; Basa, S.; Bertin, V.; Biagi, S.; Bormuth, R.; Bouwhuis, M. C.; Bruijn, R.; Brunner, J.; Busto, J.; Capone, A.; Caramete, L.; Carr, J.; Chiarusi, T.; Circella, M.; Coniglione, R.; Costantini, H.; Coyle, P.; Creusot, A.; Dekeyser, I.; Deschamps, A.; De Bonis, G.; Distefano, C.; Donzaud, C.; Dornic, D.; Drouhin, D.; Dumas, A.; Eberl, T.; Elsässer, D.; Enzenhöfer, A.; Fehn, K.; Felis, I.; Fermani, P.; Folger, F.; Fusco, L. A.; Galatà, S.; Gay, P.; Geißelsöder, S.; Geyer, K.; Giordano, V.; Gleixner, A.; Gracia-Ruiz, R.; Graf, K.; Hallmann, S.; van Haren, H.; Heijboer, A. J.; Hello, Y.; Hernández-Rey, J. J.; Hößl, J.; Hofestädt, J.; Hugon, C.; James, C. W.; de Jong, M.; Kadler, M.; Kalekin, O.; Katz, U.; Kießling, D.; Kooijman, P.; Kouchner, A.; Kreter, M.; Kreykenbohm, I.; Kulikovskiy, V.; Lahmann, R.; Lefèvre, D.; Leonora, E.; Loucatos, S.; Marcelin, M.; Margiotta, A.; Marinelli, A.; Martínez-Mora, J. A.; Mathieu, A.; Michael, T.; Migliozzi, P.; Moussa, A.; Müller, C.; Nezri, E.; Păvălaş, G. E.; Pellegrino, C.; Perrina, C.; Piattelli, P.; Popa, V.; Pradier, T.; Racca, C.; Riccobene, G.; Richter, R.; Roensch, K.; Saldaña, M.; Samtleben, D. F. E.; Sánchez-Losa, A.; Sanguineti, M.; Sapienza, P.; Schmid, J.; Schnabel, J.; Schüssler, F.; Seitz, T.; Sieger, C.; Spurio, M.; Steijger, J. J. M.; Stolarczyk, Th.; Taiuti, M.; Tamburini, C.; Trovato, A.; Tselengidou, M.; Tönnis, C.; Vallage, B.; Vallée, C.; Van Elewyck, V.; Visser, E.; Vivolo, D.; Wagner, S.; Wilms, J.; Zornoza, J. D.; Zúñiga, J.

2017-01-01

A search for high-energy neutrino emission correlated with gamma-ray bursts outside the electromagnetic prompt-emission time window is presented. Using a stacking approach of the time delays between reported gamma-ray burst alerts and spatially coincident muon-neutrino signatures, data from the Antares neutrino telescope recorded between 2007 and 2012 are analysed. One year of public data from the IceCube detector between 2008 and 2009 have been also investigated. The respective timing profiles are scanned for statistically significant accumulations within 40 days of the Gamma Ray Burst, as expected from Lorentz Invariance Violation effects and some astrophysical models. No significant excess over the expected accidental coincidence rate could be found in either of the two data sets. The average strength of the neutrino signal is found to be fainter than one detectable neutrino signal per hundred gamma-ray bursts in the Antares data at 90% confidence level.

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

Aldegunde, Manuel, E-mail: M.A.Aldegunde-Rodriguez@warwick.ac.uk; Kermode, James R., E-mail: J.R.Kermode@warwick.ac.uk; Zabaras, Nicholas

This paper presents the development of a new exchange–correlation functional from the point of view of machine learning. Using atomization energies of solids and small molecules, we train a linear model for the exchange enhancement factor using a Bayesian approach which allows for the quantification of uncertainties in the predictions. A relevance vector machine is used to automatically select the most relevant terms of the model. We then test this model on atomization energies and also on bulk properties. The average model provides a mean absolute error of only 0.116 eV for the test points of the G2/97 set butmore » a larger 0.314 eV for the test solids. In terms of bulk properties, the prediction for transition metals and monovalent semiconductors has a very low test error. However, as expected, predictions for types of materials not represented in the training set such as ionic solids show much larger errors.« less