ATR LEU fuel and burnable absorber neutronics performance optimization by fuel meat thickness variation

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

Chang, G.S.

2008-07-15

The Advanced Test Reactor (ATR) is a high power density and high neutron flux research reactor operating in the United States. Powered with highly enriched uranium (HEU), the ATR has a maximum thermal power rating of 250 MWth. Because of the large test volumes located in high flux areas, the ATR is an ideal candidate for assessing the feasibility of converting an HEU driven reactor to a low-enriched core. The present work investigates the necessary modifications and evaluates the subsequent operating effects of this conversion. A detailed plate-by-plate MCNP ATR 1/8th core model was developed and validated for a fuelmore » cycle burnup comparison analysis. Using the current HEU U-235 enrichment of 93.0 % as a baseline, an analysis can be performed to determine the low-enriched uranium (LEU) density and U-235 enrichment required in the fuel meat to yield an equivalent K-eff between the HEU core th and the LEU core versus effective full power days (EFPD). The MCNP ATR 1/8th core model will be used to optimize the U-235 loading in the LEU core, such that the differences in K-eff and heat flux profile between the HEU and LEU core can be minimized. The depletion methodology MCWO was used to calculate K-eff versus EFPDs in this paper. The MCWO-calculated results for the LEU cases with foil (U-10Mo) types demonstrated adequate excess reactivity such that the K-eff versus EFPDs plot is similar to the reference ATR HEU case. Each HEU fuel element contains 19 fuel plates with a fuel meat thickness of 0.508 mm. In this work, the proposed LEU (U-10Mo) core conversion case with a nominal fuel meat thickness of 0.381 mm and the same U-235 enrichment (19.7 wt%) can be used to optimize the radial heat flux profile by varying the fuel meat thickness from 0.191 mm (7.5 mil) to 0.343 mm (13.5 mil) at the inner 4 fuel plates (1-4) and outer 4 fuel plates (16-19). In addition, 0.8g of a burnable absorber, Boron-10, was added in the inner and outer plates to reduce the initial excess reactivity, and the inner/outer heat flux more effectively. The optimized LEU relative radial fission heat flux profile is bounded by the reference ATR HEU case. However, to demonstrate that the LEU core fuel cycle performance can meet the Updated Final Safety Analysis Report (UFSAR) safety requirements, additional studies will be necessary to evaluate and compare safety parameters such as void reactivity and Doppler coefficients, control components worth (outer shim control cylinders, safety rods and regulating rod), and shutdown margins between the HEU and LEU cores. (author)« less

Analysis of JSI TRIGA MARK II reactor physical parameters calculated with TRIPOLI and MCNP.

PubMed

Henry, R; Tiselj, I; Snoj, L

2015-03-01

New computational model of the JSI TRIGA Mark II research reactor was built for TRIPOLI computer code and compared with existing MCNP code model. The same modelling assumptions were used in order to check the differences of the mathematical models of both Monte Carlo codes. Differences between the TRIPOLI and MCNP predictions of keff were up to 100pcm. Further validation was performed with analyses of the normalized reaction rates and computations of kinetic parameters for various core configurations. Copyright © 2014 Elsevier Ltd. All rights reserved.

Confidence Intervals from Realizations of Simulated Nuclear Data

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

Younes, W.; Ratkiewicz, A.; Ressler, J. J.

2017-09-28

Various statistical techniques are discussed that can be used to assign a level of confidence in the prediction of models that depend on input data with known uncertainties and correlations. The particular techniques reviewed in this paper are: 1) random realizations of the input data using Monte-Carlo methods, 2) the construction of confidence intervals to assess the reliability of model predictions, and 3) resampling techniques to impose statistical constraints on the input data based on additional information. These techniques are illustrated with a calculation of the keff value, based on the 235U(n, f) and 239Pu (n, f) cross sections.

Microscopic Study of the Influence of Impurities on Interface Bonding.

DTIC Science & Technology

1985-01-25

with different impurities (P,S) levels were specially made by Armco, Inc. In addition to these four alloys, commercial alloys including Armco’s Nitronic ...25 30 40 50 60 70 Percent Intergranular, % IG Figu re A. 10 Variation of K and plane stress Keff with IGA for the Fe-P-W specimens. 20 AIO 40 Fe-P-Mo...iIS- Ke f f q !m=- 0.218 35 E 30 - 30- ~m=-0. 145 25 20 25 30 40 50 60 70 Percent Intergranular, % IG Figurej A.9 Vriation of K and plane stress Keff

Evaluation of the 239 Pu prompt fission neutron spectrum induced by neutrons of 500 keV and associated covariances

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

Neudecker, D.; Talou, P.; Kawano, T.

2015-08-01

We present evaluations of the prompt fission neutron spectrum (PFNS) of (PU)-P-239 induced by 500 keV neutrons, and associated covariances. In a previous evaluation by Talon et al. (2010), surprisingly low evaluated uncertainties were obtained, partly due to simplifying assumptions in the quantification of uncertainties from experiment and model. Therefore, special emphasis is placed here on a thorough uncertainty quantification of experimental data and of the Los Alamos model predicted values entering the evaluation. In addition, the Los Alamos model was extended and an evaluation technique was employed that takes into account the qualitative differences between normalized model predicted valuesmore » and experimental shape data These improvements lead to changes in the evaluated PENS and overall larger evaluated uncertainties than in the previous work. However, these evaluated uncertainties are still smaller than those obtained in a statistical analysis using experimental information only, due to strong model correlations. Hence, suggestions to estimate model defect uncertainties are presented. which lead to more reasonable evaluated uncertainties. The calculated k(eff) of selected criticality benchmarks obtained with these new evaluations agree with each other within their uncertainties despite the different approaches to estimate model defect uncertainties. The k(eff) one standard deviations overlap with some of those obtained using ENDF/B-VILl, albeit their mean values are further away from unity. Spectral indexes for the Jezebel critical assembly calculated with the newly evaluated PFNS agree with the experimental data for selected (n,) and (n,f) reactions, and show improvements for highenergy threshold (n,2n) reactions compared to ENDF/B-VII.l. (C) 2015 Elsevier B.V. All rights reserved.« less

Effects of materials and design on the criticality and shielding assessment of canister concepts for the disposal of spent nuclear fuel.

PubMed

Gutiérrez, Miguel Morales; Caruso, Stefano; Diomidis, Nikitas

2018-05-19

According to the Swiss disposal concept, the safety of a deep geological repository for spent nuclear fuel (SNF) is based on a multi-barrier system. The disposal canister is an important component of the engineered barrier system, aiming to provide containment of the SNF for thousands of years. This study evaluates the criticality safety and shielding of candidate disposal canister concepts, focusing on the fulfilment of the sub-criticality criterion and on limiting radiolysis processes at the outer surface of the canister which can enhance corrosion mechanisms. The effective neutron multiplication factor (k-eff) and the surface dose rates are calculated for three different canister designs and material combinations for boiling water reactor (BWR) canisters, containing 12 spent fuel assemblies (SFA), and pressurized water reactor (PWR) canisters, with 4 SFAs. For each configuration, individual criticality and shielding calculations were carried out. The results show that k-eff falls below the defined upper safety limit (USL) of 0.95 for all BWR configurations, while staying above USL for the PWR ones. Therefore, the application of a burnup credit methodology for the PWR case is required, being currently under development. Relevant is also the influence of canister material and internal geometry on criticality, enabling the identification of safer fuel arrangements. For a final burnup of 55MWd/kgHM and 30y cooling time, the combined photon-neutron surface dose rate is well below the threshold of 1 Gy/h defined to limit radiation-induced corrosion of the canister in all cases. Copyright © 2018 Elsevier Ltd. All rights reserved.

Use of integral experiments for the assessment of a new 235U IRSN-CEA evaluation

NASA Astrophysics Data System (ADS)

Ichou, Raphaëlle; Leclaire, Nicolas; Leal, Luiz; Haeck, Wim; Morillon, Benjamin; Romain, Pascal; Duarte, Helder

2017-09-01

The Working Party on International Nuclear Data Evaluation Co-operation (WPEC) subgroup 29 (SG 29) was established to investigate an issue with the 235U capture cross-section in the energy range from 0.1 to 2.25 keV, due to a possible overestimation of 10% or more. To improve the 235U capture crosssection, a new 235U evaluation has been proposed by the Institut de Radioprotection et de Sûreté Nucléaire (IRSN) and the CEA, mainly based on new time-of-flight 235U capture cross-section measurements and recent fission cross-section measurements performed at the n_TOF facility from CERN. IRSN and CEA Cadarache were in charge of the thermal to 2.25 keV energy range, whereas the CEA DIF was responsible of the high energy region. Integral experiments showing a strong 235U sensitivity are used to assess the new evaluation, using Monte-Carlo methods. The keff calculations were performed with the 5.D.1 beta version of the MORET 5 code, using the JEFF-3.2 library and the new 235U evaluation, as well as the JEFF-3.3T1 library in which the new 235U has been included. The benchmark selection allowed highlighting a significant improvement on keff due to the new 235U evaluation. The results of this data testing are presented here.

Benchmark Evaluation of Start-Up and Zero-Power Measurements at the High-Temperature Engineering Test Reactor

DOE PAGES

Bess, John D.; Fujimoto, Nozomu

2014-10-09

Benchmark models were developed to evaluate six cold-critical and two warm-critical, zero-power measurements of the HTTR. Additional measurements of a fully-loaded subcritical configuration, core excess reactivity, shutdown margins, six isothermal temperature coefficients, and axial reaction-rate distributions were also evaluated as acceptable benchmark experiments. Insufficient information is publicly available to develop finely-detailed models of the HTTR as much of the design information is still proprietary. However, the uncertainties in the benchmark models are judged to be of sufficient magnitude to encompass any biases and bias uncertainties incurred through the simplification process used to develop the benchmark models. Dominant uncertainties in themore » experimental keff for all core configurations come from uncertainties in the impurity content of the various graphite blocks that comprise the HTTR. Monte Carlo calculations of keff are between approximately 0.9 % and 2.7 % greater than the benchmark values. Reevaluation of the HTTR models as additional information becomes available could improve the quality of this benchmark and possibly reduce the computational biases. High-quality characterization of graphite impurities would significantly improve the quality of the HTTR benchmark assessment. Simulation of the other reactor physics measurements are in good agreement with the benchmark experiment values. The complete benchmark evaluation details are available in the 2014 edition of the International Handbook of Evaluated Reactor Physics Benchmark Experiments.« less

Evaluation of the 235U prompt fission neutron spectrum including a detailed analysis of experimental data and improved model information

NASA Astrophysics Data System (ADS)

Neudecker, Denise; Talou, Patrick; Kahler, Albert C.; White, Morgan C.; Kawano, Toshihiko

2017-09-01

We present an evaluation of the 235U prompt fission neutron spectrum (PFNS) induced by thermal to 20-MeV neutrons. Experimental data and associated covariances were analyzed in detail. The incident energy dependence of the PFNS was modeled with an extended Los Alamos model combined with the Hauser-Feshbach and the exciton models. These models describe prompt fission, pre-fission compound nucleus and pre-equilibrium neutron emissions. The evaluated PFNS agree well with the experimental data included in this evaluation, preliminary data of the LANL and LLNL Chi-Nu measurement and recent evaluations by Capote et al. and Rising et al. However, they are softer than the ENDF/B-VII.1 (VII.1) and JENDL-4.0 PFNS for incident neutron energies up to 2 MeV. Simulated effective multiplication factors keff of the Godiva and Flattop-25 critical assemblies are further from the measured keff if the current data are used within VII.1 compared to using only VII.1 data. However, if this work is used with ENDF/B-VIII.0β2 data, simulated values of keff agree well with the measured ones.

Comparative study on neutron data in integral experiments of MYRRHA mockup critical cores in the VENUS-F reactor

NASA Astrophysics Data System (ADS)

Krása, Antonín; Kochetkov, Anatoly; Baeten, Peter; Vittiglio, Guido; Wagemans, Jan; Bécares, Vicente

2017-09-01

VENUS-F is a fast, zero-power reactor with 30% wt. metallic uranium fuel and solid lead as coolant simulator. It serves as a mockup of the MYRRHA reactor core. This paper describes integral experiments performed in two critical VENUS-F core configurations (with and without graphite reflector). Discrepancies between experiments and Monte Carlo calculations (MCNP5) of keff, fission rate spatial distribution and reactivity effects (lead void and fuel Doppler) depending on a nuclear data library used (JENDL-4.0, ENDF-B-VII.1, JEFF-3.1.2, 3.2, 3.3T2) are presented.

Use of integral experiments in support to the validation of JEFF-3.2 nuclear data evaluation

NASA Astrophysics Data System (ADS)

Leclaire, Nicolas; Cochet, Bertrand; Jinaphanh, Alexis; Haeck, Wim

2017-09-01

For many years now, IRSN has developed its own Monte Carlo continuous energy capability, which allows testing various nuclear data libraries. In that prospect, a validation database of 1136 experiments was built from cases used for the validation of the APOLLO2-MORET 5 multigroup route of the CRISTAL V2.0 package. In this paper, the keff obtained for more than 200 benchmarks using the JEFF-3.1.1 and JEFF-3.2 libraries are compared to benchmark keff values and main discrepancies are analyzed regarding the neutron spectrum. Special attention is paid on benchmarks for which the results have been highly modified between both JEFF-3 versions.

Analysis of 238Pu and 56Fe Evaluated Data for Use in MYRRHA

NASA Astrophysics Data System (ADS)

Díez, C. J.; Cabellos, O.; Martínez, J. S.; Stankovskiy, A.; Van den Eynde, G.; Schillebeeckx, P.; Heyse, J.

2014-04-01

A sensitivity analysis on the multiplication factor, keff, to the cross section data has been carried out for the MYRRHA critical configuration in order to show the most relevant reactions. With these results, a further analysis on the 238Pu and 56Fe cross sections has been performed, comparing the evaluations provided in the JEFF-3.1.2 and ENDF/B-VII.1 libraries for these nuclides. Then, the effect in MYRRHA of the differences between evaluations are analysed, presenting the source of the differences. With these results, recommendations for the 56Fe and 238Pu evaluations are suggested. These calculations have been performed with SCALE6.1 and MCNPX-2.7e.

Neutronics calculation of RTP core

NASA Astrophysics Data System (ADS)

Rabir, Mohamad Hairie B.; Zin, Muhammad Rawi B. Mohamed; Karim, Julia Bt. Abdul; Bayar, Abi Muttaqin B. Jalal; Usang, Mark Dennis Anak; Mustafa, Muhammad Khairul Ariff B.; Hamzah, Na'im Syauqi B.; Said, Norfarizan Bt. Mohd; Jalil, Muhammad Husamuddin B.

2017-01-01

Reactor calculation and simulation are significantly important to ensure safety and better utilization of a research reactor. The Malaysian's PUSPATI TRIGA Reactor (RTP) achieved initial criticality on June 28, 1982. The reactor is designed to effectively implement the various fields of basic nuclear research, manpower training, and production of radioisotopes. Since early 90s, neutronics modelling were used as part of its routine in-core fuel management activities. The are several computer codes have been used in RTP since then, based on 1D neutron diffusion, 2D neutron diffusion and 3D Monte Carlo neutron transport method. This paper describes current progress and overview on neutronics modelling development in RTP. Several important parameters were analysed such as keff, reactivity, neutron flux, power distribution and fission product build-up for the latest core configuration. The developed core neutronics model was validated by means of comparison with experimental and measurement data. Along with the RTP core model, the calculation procedure also developed to establish better prediction capability of RTP's behaviour.

Benchmark On Sensitivity Calculation (Phase III)

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

Ivanova, Tatiana; Laville, Cedric; Dyrda, James

2012-01-01

The sensitivities of the keff eigenvalue to neutron cross sections have become commonly used in similarity studies and as part of the validation algorithm for criticality safety assessments. To test calculations of the sensitivity coefficients, a benchmark study (Phase III) has been established by the OECD-NEA/WPNCS/EG UACSA (Expert Group on Uncertainty Analysis for Criticality Safety Assessment). This paper presents some sensitivity results generated by the benchmark participants using various computational tools based upon different computational methods: SCALE/TSUNAMI-3D and -1D, MONK, APOLLO2-MORET 5, DRAGON-SUSD3D and MMKKENO. The study demonstrates the performance of the tools. It also illustrates how model simplifications impactmore » the sensitivity results and demonstrates the importance of 'implicit' (self-shielding) sensitivities. This work has been a useful step towards verification of the existing and developed sensitivity analysis methods.« less

The MARVEL assembly for neutron multiplication.

PubMed

Chichester, David L; Kinlaw, Mathew T

2013-10-01

A new multiplying test assembly is under development at Idaho National Laboratory to support research, validation, evaluation, and learning. The item is comprised of three stacked, highly-enriched uranium (HEU) cylinders, each 11.4 cm in diameter and having a combined height of up to 11.7 cm. The combined mass of all three cylinders is 20.3 kg of HEU. Calculations for the bare configuration of the assembly indicate a multiplication level of >3.5 (k(eff)=0.72). Reflected configurations of the assembly, using either polyethylene or tungsten, are possible and have the capability of raising the assembly's multiplication level to greater than 10. This paper describes simulations performed to assess the assembly's multiplication level under different conditions and describes the resources available at INL to support the use of these materials. We also describe some preliminary calculations and test activities using the assembly to study neutron multiplication. Copyright © 2013 Elsevier Ltd. All rights reserved.

Low-power lead-cooled fast reactor loaded with MOX-fuel

NASA Astrophysics Data System (ADS)

Sitdikov, E. R.; Terekhova, A. M.

2017-01-01

Fast reactor for the purpose of implementation of research, education of undergraduate and doctoral students in handling innovative fast reactors and training specialists for atomic research centers and nuclear power plants (BRUTs) was considered. Hard neutron spectrum achieved in the fast reactor with compact core and lead coolant. Possibility of prompt neutron runaway of the reactor is excluded due to the low reactivity margin which is less than the effective fraction of delayed neutrons. The possibility of using MOX fuel in the BRUTs reactor was examined. The effect of Keff growth connected with replacement of natural lead coolant to 208Pb coolant was evaluated. The calculations and reactor core model were performed using the Serpent Monte Carlo code.

Measurement and analysis of the mannitol partition coefficient in sucrose crystallization under simulated industrial conditions.

PubMed

Eggleston, Gillian; Yen, Jenny Wu Tiu; Alexander, Clay; Gober, Jessica

2012-07-01

Mannitol is a major deterioration product of Leuconstoc mesenteroides bacterial metabolism of sucrose and fructose from both sugarcane and sugar beet. The effect of crystallization conditions on the mannitol partition coefficient (K(eff)) between impure sucrose syrup and crystal has been investigated in a batch laboratory crystallizer and a batch pilot plant-scale vacuum pan. Laboratory crystallization was operated at 65.5°C (150°F), 60.0°C (140°F), and 51.7°C (125°F) with a 78.0 Brix (% refractometric dissolved solids) pure sucrose syrup containing 0%, 0.1%, 0.2%, 1.0%, 2.0%, 3.0%, and 10% (at 65.5°C only) mannitol on a Brix basis. Produced mother liquor and crystals were separated by centrifugation and their mannitol contents measured by ion chromatography with integrated pulsed amperometric detection (IC-IPAD). The extent of mannitol partitioning into the crystals depended strongly on the mannitol concentration in the feed syrup and, to a lesser extent, the crystallization temperature. At 65.5 and 60.0°C, the K(eff) varied from ~0.4% to 3.0% with 0.2% to 3.0% mannitol in the feed syrup, respectively. The mannitol K(eff) was lower than that reported for dextran (~9-10% K(eff)), another product of Leuconstoc deterioration, under similar sucrose crystal growth conditions. At 10% mannitol concentration in the syrup at 65.5°C, co-crystallization of mannitol with sucrose occurred and the crystal growth rate was greatly impeded. In both laboratory and pilot plant crystallizations (95.7% purity; 78.0 Brix; 65.5°C), mannitol tended to cause conglomerates to form, which became progressively worse with increased mannitol syrup concentration. At the 3% mannitol concentration, crystallization at both the laboratory and pilot plant scales was more difficult. Mannitol incorporation into the sucrose crystal results mostly from liquid syrup inclusions but adsorption onto the crystal surface may play a minor role at lower mannitol concentrations. Published by Elsevier Ltd.

Variation of the subsidence parameters, effective thermal conductivity, and mantle dynamics

NASA Astrophysics Data System (ADS)

Adam, C.; King, S. D.; Vidal, V.; Rabinowicz, M.; Jalobeanu, A.; Yoshida, M.

2015-09-01

The subsidence of young seafloor is generally considered to be a passive phenomenon related to the conductive cooling of the lithosphere after its creation at mid-oceanic ridges. Recent alternative theories suggest that the mantle dynamics plays an important role in the structure and depth of the oceanic lithosphere. However, the link between mantle dynamics and seafloor subsidence has still to be quantitatively assessed. Here we provide a statistical study of the subsidence parameters (subsidence rate and ridge depth) for all the oceans. These parameters are retrieved through two independent methods, the positive outliers method, a classical method used in signal processing, and through the MiFil method. From the subsidence rate, we compute the effective thermal conductivity, keff, which ranges between 1 and 7 W m-1 K-1. We also model the mantle flow pattern from the S40RTS tomography model. The density anomalies derived from S40RTS are used to compute the instantaneous flow in a global 3D spherical geometry. We show that departures from the keff = 3 Wm-1K-1 standard value are systematically related to mantle processes and not to lithospheric structure. Regions characterized by keff > 3 Wm-1K-1 are associated with mantle uplifts (mantle plumes or other local anomalies). Regions characterized by keff < 3 Wm-1K-1 are related to large-scale mantle downwellings such as the Australia-Antarctic Discordance (AAD) or the return flow from the South Pacific Superswell to the East Pacific Rise. This demonstrates that mantle dynamics plays a major role in the shaping of the oceanic seafloor. In particular, the parameters generally considered to quantify the lithosphere structure, such as the thermal conductivity, are not only representative of this structure but also incorporate signals from the mantle convection occurring beneath the lithosphere. The dynamic topography computed from the S40RTS tomography model reproduces the subsidence pattern observed in the bathymetry. Overall we find a good correlation between the subsidence parameters derived from the bathymetry and the dynamic topography. This demonstrates that these parameters are strongly dependent on mantle dynamics.

Fatigue-Life Prediction Methodology Using Small-Crack Theory

NASA Technical Reports Server (NTRS)

Newmann, James C., Jr.; Phillips, Edward P.; Swain, M. H.

1997-01-01

This paper reviews the capabilities of a plasticity-induced crack-closure model to predict fatigue lives of metallic materials using 'small-crack theory' for various materials and loading conditions. Crack-tip constraint factors, to account for three-dimensional state-of-stress effects, were selected to correlate large-crack growth rate data as a function of the effective-stress-intensity factor range (delta K(eff)) under constant-amplitude loading. Some modifications to the delta k(eff)-rate relations were needed in the near-threshold regime to fit measured small-crack growth rate behavior and fatigue endurance limits. The model was then used to calculate small- and large-crack growth rates, and to predict total fatigue lives, for notched and un-notched specimens made of two aluminum alloys and a steel under constant-amplitude and spectrum loading. Fatigue lives were calculated using the crack-growth relations and microstructural features like those that initiated cracks for the aluminum alloys and steel for edge-notched specimens. An equivalent-initial-flaw-size concept was used to calculate fatigue lives in other cases. Results from the tests and analyses agreed well.

Electromechanical coupling factor of capacitive micromachined ultrasonic transducers.

PubMed

Caronti, Alessandro; Carotenuto, Riccardo; Pappalardo, Massimo

2003-01-01

Recently, a linear, analytical distributed model for capacitive micromachined ultrasonic transducers (CMUTs) was presented, and an electromechanical equivalent circuit based on the theory reported was used to describe the behavior of the transducer [IEEE Trans. Ultrason. Ferroelectr. Freq. Control 49, 159-168 (2002)]. The distributed model is applied here to calculate the dynamic coupling factor k(w) of a lossless CMUT, based on a definition that involves the energies stored in a dynamic vibration cycle, and the results are compared with those obtained with a lumped model. A strong discrepancy is found between the two models as the bias voltage increases. The lumped model predicts an increasing dynamic k factor up to unity, whereas the distributed model predicts a more realistic saturation of this parameter to values substantially lower. It is demonstrated that the maximum value of k(w), corresponding to an operating point close to the diaphragm collapse, is 0.4 for a CMUT single cell with a circular membrane diaphragm and no parasitic capacitance (0.36 for a cell with a circular plate diaphragm). This means that the dynamic coupling factor of a CMUT is comparable to that of a piezoceramic plate oscillating in the thickness mode. Parasitic capacitance decreases the value of k(w), because it does not contribute to the energy conversion. The effective coupling factor k(eff) is also investigated, showing that this parameter coincides with k(w) within the lumped model approximation, but a quite different result is obtained if a computation is made with the more accurate distributed model. As a consequence, k(eff), which can be measured from the transducer electrical impedance, does not give a reliable value of the actual dynamic coupling factor.

Electromechanical coupling factor of capacitive micromachined ultrasonic transducers

NASA Astrophysics Data System (ADS)

Caronti, Alessandro; Carotenuto, Riccardo; Pappalardo, Massimo

2003-01-01

Recently, a linear, analytical distributed model for capacitive micromachined ultrasonic transducers (CMUTs) was presented, and an electromechanical equivalent circuit based on the theory reported was used to describe the behavior of the transducer [IEEE Trans. Ultrason. Ferroelectr. Freq. Control 49, 159-168 (2002)]. The distributed model is applied here to calculate the dynamic coupling factor kw of a lossless CMUT, based on a definition that involves the energies stored in a dynamic vibration cycle, and the results are compared with those obtained with a lumped model. A strong discrepancy is found between the two models as the bias voltage increases. The lumped model predicts an increasing dynamic k factor up to unity, whereas the distributed model predicts a more realistic saturation of this parameter to values substantially lower. It is demonstrated that the maximum value of kw, corresponding to an operating point close to the diaphragm collapse, is 0.4 for a CMUT single cell with a circular membrane diaphragm and no parasitic capacitance (0.36 for a cell with a circular plate diaphragm). This means that the dynamic coupling factor of a CMUT is comparable to that of a piezoceramic plate oscillating in the thickness mode. Parasitic capacitance decreases the value of kw, because it does not contribute to the energy conversion. The effective coupling factor keff is also investigated, showing that this parameter coincides with kw within the lumped model approximation, but a quite different result is obtained if a computation is made with the more accurate distributed model. As a consequence, keff, which can be measured from the transducer electrical impedance, does not give a reliable value of the actual dynamic coupling factor.

Goal-based h-adaptivity of the 1-D diamond difference discrete ordinate method

NASA Astrophysics Data System (ADS)

Jeffers, R. S.; Kópházi, J.; Eaton, M. D.; Févotte, F.; Hülsemann, F.; Ragusa, J.

2017-04-01

The quantity of interest (QoI) associated with a solution of a partial differential equation (PDE) is not, in general, the solution itself, but a functional of the solution. Dual weighted residual (DWR) error estimators are one way of providing an estimate of the error in the QoI resulting from the discretisation of the PDE. This paper aims to provide an estimate of the error in the QoI due to the spatial discretisation, where the discretisation scheme being used is the diamond difference (DD) method in space and discrete ordinate (SN) method in angle. The QoI are reaction rates in detectors and the value of the eigenvalue (Keff) for 1-D fixed source and eigenvalue (Keff criticality) neutron transport problems respectively. Local values of the DWR over individual cells are used as error indicators for goal-based mesh refinement, which aims to give an optimal mesh for a given QoI.

Validation of DRAGON4/DONJON4 simulation methodology for a typical MNSR by calculating reactivity feedback coefficient and neutron flux

NASA Astrophysics Data System (ADS)

Al Zain, Jamal; El Hajjaji, O.; El Bardouni, T.; Boukhal, H.; Jaï, Otman

2018-06-01

The MNSR is a pool type research reactor, which is difficult to model because of the importance of neutron leakage. The aim of this study is to evaluate a 2-D transport model for the reactor compatible with the latest release of the DRAGON code and 3-D diffusion of the DONJON code. DRAGON code is then used to generate the group macroscopic cross sections needed for full core diffusion calculations. The diffusion DONJON code, is then used to compute the effective multiplication factor (keff), the feedback reactivity coefficients and neutron flux which account for variation in fuel and moderator temperatures as well as the void coefficient have been calculated using the DRAGON and DONJON codes for the MNSR research reactor. The cross sections of all the reactor components at different temperatures were generated using the DRAGON code. These group constants were used then in the DONJON code to calculate the multiplication factor and the neutron spectrum at different water and fuel temperatures using 69 energy groups. Only one parameter was changed where all other parameters were kept constant. Finally, Good agreements between the calculated and measured have been obtained for every of the feedback reactivity coefficients and neutron flux.

Comparative Study on Various Geometrical Core Design of 300 MWth Gas Cooled Fast Reactor with UN-PuN Fuel Longlife without Refuelling

NASA Astrophysics Data System (ADS)

Dewi Syarifah, Ratna; Su'ud, Zaki; Basar, Khairul; Irwanto, Dwi

2017-07-01

Nuclear power has progressive improvement in the operating performance of exiting reactors and ensuring economic competitiveness of nuclear electricity around the world. The GFR use gas coolant and fast neutron spectrum. This research use helium coolant which has low neutron moderation, chemical inert and single phase. Comparative study on various geometrical core design for modular GFR with UN-PuN fuel long life without refuelling has been done. The calculation use SRAC2006 code both PIJ calculation and CITATION calculation. The data libraries use JENDL 4.0. The variation of fuel fraction is 40% until 65%. In this research, we varied the geometry of core reactor to find the optimum geometry design. The variation of the geometry design is balance cylinder; it means that the diameter active core (D) same with height active core (H). Second, pancake cylinder (D>H) and third, tall cylinder (D

Capillary-Driven Solute Transport and Precipitation in Porous Media during Dry-Out

NASA Astrophysics Data System (ADS)

Ott, Holger; Andrew, Matthew; Blunt, Martin; Snippe, Jeroen

2014-05-01

The injection of dry or under-saturated gases or supercritical (SC) fluids into water bearing formations might lead to a formation dry-out in the vicinity of the injection well. The dry-out is caused by the evaporation/dissolution of formation water into the injected fluid and the subsequent transport of dissolved water in the injected fluid away from the injection well. Dry-out results in precipitation from solutes of the formation brine and consequently leads to a reduction of the rock's pore space (porosity) and eventually to a reduction of permeability near the injection well, or even to the loss of injectivity. Recently evidence has been found that the complexity of the pore space and the respective capillary driven solute transport plays a key role. While no effective-permeability (Keff) reduction was observed in a single-porosity sandstone, multi porosity carbonate rocks responded to precipitation with a strong reduction of Keff. The reason for the different response of Keff to salt precipitation is suspected to be in the exact location of the precipitate (solid salt) in the pore space. In this study, we investigate dry-out and salt precipitation due to supercritical CO2 injection in single and multi-porosity systems under near well-bore conditions. We image fluid saturation changes by means of μCT scanning during desaturation. We are able to observe capillary driven transport of the brine phase and the respective transport of solutes on the rock's pore scale. Finally we have access to the precipitated solid-salt phase and their distribution. The results can proof the thought models behind permeability porosity relationships K(φ) for injectivity modeling. The topic and the mechanisms we show are of general interest for drying processes in porous material such as soils and paper.

Face-by-face growth of sucrose crystals from aqueous solutions in the presence of raffinose—II: Growth morphology and segregation

NASA Astrophysics Data System (ADS)

Sgualdino, G.; Aquilano, D.; Pastero, L.; Vaccari, G.

2007-10-01

Raffinose segregation into sucrose crystals is experimentally determined along with the modifications of the quantitative sucrose growth morphology, which are in turn related to the different growth conditions. ( Craff, σ) morphodromes nicely represent the conflict between the supersaturation and the raffinose concentration in the solution on the growth morphology, while the overall segregation rate is nearly proportional to the linear overall crystal growth rate. Chernov and Burton-Prim-Slichter models, checked to fit our keff and ln(keff-1-1) coefficients as a function of the supersaturation and of the mean linear overall growth rate, do not allow to know whether the segregation occurs either by a process dominated by surface integration, or by additive transfer dominated by volume diffusion within the boundary layer. The distribution of segregated raffinose strictly depends on the { h k l} growth sectors and doped crystals contain deformed lattice zones, as it comes out from X-ray powder diagrams.

Modeling the atmospheric chemistry of TICs

NASA Astrophysics Data System (ADS)

Henley, Michael V.; Burns, Douglas S.; Chynwat, Veeradej; Moore, William; Plitz, Angela; Rottmann, Shawn; Hearn, John

2009-05-01

An atmospheric chemistry model that describes the behavior and disposition of environmentally hazardous compounds discharged into the atmosphere was coupled with the transport and diffusion model, SCIPUFF. The atmospheric chemistry model was developed by reducing a detailed atmospheric chemistry mechanism to a simple empirical effective degradation rate term (keff) that is a function of important meteorological parameters such as solar flux, temperature, and cloud cover. Empirically derived keff functions that describe the degradation of target toxic industrial chemicals (TICs) were derived by statistically analyzing data generated from the detailed chemistry mechanism run over a wide range of (typical) atmospheric conditions. To assess and identify areas to improve the developed atmospheric chemistry model, sensitivity and uncertainty analyses were performed to (1) quantify the sensitivity of the model output (TIC concentrations) with respect to changes in the input parameters and (2) improve, where necessary, the quality of the input data based on sensitivity results. The model predictions were evaluated against experimental data. Chamber data were used to remove the complexities of dispersion in the atmosphere.

Benchmarking of HEU Mental Annuli Critical Assemblies with Internally Reflected Graphite Cylinder

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

Xiaobo, Liu; Bess, John D.; Marshall, Margaret A.

Three experimental configurations of critical assemblies, performed in 1963 at the Oak Ridge Critical Experiment Facility, which are assembled using three different diameter HEU annuli (15-9 inches, 15-7 inches and 13-7 inches) metal annuli with internally reflected graphite cylinder are evaluated and benchmarked. The experimental uncertainties which are 0.00055, 0.00055 and 0.00055 respectively, and biases to the detailed benchmark models which are -0.00179, -0.00189 and -0.00114 respectively, were determined, and the experimental benchmark keff results were obtained for both detailed and simplified model. The calculation results for both detailed and simplified models using MCNP6-1.0 and ENDF VII.1 agree well tomore » the benchmark experimental results with a difference of less than 0.2%. These are acceptable benchmark experiments for inclusion in the ICSBEP Handbook.« less

Measurement and analysis of the mannitol partition coefficient in sucrose crystallization under simulated industrial conditions

USDA-ARS?s Scientific Manuscript database

Mannitol is a major deterioration product of Leuconstoc mesenteroides bacterial deterioration of both sugarcane and sugar beet. The effect of crystallization conditions on the mannitol partition coefficient (Keff) between impure sucrose syrup and crystal has been investigated in a batch laboratory c...

Ingested and biomineralized magnetic material in the prey Neocapritermes opacus termite: FMR characterization

NASA Astrophysics Data System (ADS)

de Oliveira, J. F.; Alves, O. C.; Esquivel, D. M. S.; Wajnberg, E.

2008-03-01

The temperature dependence of Ferromagnetic Resonance spectra, from 5 K to 280 K, was used to study the magnetic material present in Neocapritermes opacus termite, the only prey of the Pachycondyla marginata ant. The analysis of the resonant field and peak-to-peak linewidth allowed estimating the particle diameters and the effective anisotropy energy density, KEFF, as a sum of the bulk and surface contributions. It allowed to magnetically distinguish the particles of termites as collected in field from those of termites after 3 days under a cellulose diet, introduced to eliminate ingested/digested material. The data also, suggest the presence of oriented magnetite nanoparticles with diameters of 11.6 ± 0.3 nm in termites as collected in field and (14.0 ± 0.4 nm) in that under a cellulose diet. Differences between their KEFF and its components are also observed. Two transitions are revealed in the resonant field temperature dependence, one at about 50 K that was associated to surface effects and the other at about 100 K attributed to the Verwey transition.

Differential Scanning Calorimetric Study and Potential Model of the Binding of the Primary Water of Hydration to K-Hyaluronate

NASA Astrophysics Data System (ADS)

Whitson, K. B.; Marlowe, R. L.; Lukan, A. M.; Lee, S. A.; Anthony, L.; Rupprecht, A.

1997-11-01

DSC was performed on samples of K-hyaluronate (KHA) through a temperature range of 25-180^oC. A transition peak was observed which is due to the desorption of the primary water of hydration. The maximum position of the peak was observed to change with different scan rates. The average energy of activation, E_A, and enthalpy for desorption of the primary water of hydration was determined to be 0.62 and 0.17 eV per water molecule, respectively. Analysis of Mossbauer data(G. Albanese et al., Hyperfine Int.,) 95, 97 (1995) allowed us to determine the effective force constant, k_eff, of the water bound to KHA to be approximately 19.4 eV/nm^2. The parameters E_A, ΔH,and k_eff allow us to construct a potential model for the primary water of hydration of KHA. Comparison of these parameters with the same parameters for HA and DNA with different counterions reveal that the energy of activation is similar, as well as the enthalpy change.

Size-dependent magnetic anisotropy of PEG coated Fe3O4 nanoparticles; comparing two magnetization methods

NASA Astrophysics Data System (ADS)

Nayek, C.; Manna, K.; Imam, A. A.; Alqasrawi, A. Y.; Obaidat, I. M.

2018-02-01

Understanding the size dependent magnetic anisotropy of iron oxide nanoparticles is essential for the successful application of these nanoparticles in several technological and medical fields. PEG-coated iron oxide (Fe3O4) nanoparticles with core diameters of 12 nm, 15 nm, and 16 nm were synthesized by the usual co-precipitation method. The morphology and structure of the nanoparticles were investigated using transmission electron microscopy (TEM), high resolution transmission electron microscopy (HRTEM), selected area electron diffraction (SAED), and X-ray diffraction (XRD). Magnetic measurements were conducted using a SQUID. The effective magnetic anisotropy was calculated using two methods from the magnetization measurements. In the first method the zero-field-cooled magnetization versus temperature measurements were used at several applied magnetic fields. In the second method we used the temperature-dependent coercivity curves obtained from the zero-field-cooled magnetization versus magnetic field hysteresis loops. The role of the applied magnetic field on the effective magnetic anisotropy, calculated form the zero-field-cooled magnetization versus temperature measurements, was revealed. The size dependence of the effective magnetic anisotropy constant Keff obtained by the two methods are compared and discussed.

Fuel Fraction Analysis of 500 MWth Gas Cooled Fast Reactor with Nitride (UN-PuN) Fuel without Refueling

NASA Astrophysics Data System (ADS)

Dewi Syarifah, Ratna; Su'ud, Zaki; Basar, Khairul; Irwanto, Dwi

2017-01-01

Nuclear Power Plant (NPP) is one of candidates which can support electricity demand in the world. The Generation IV NPP has fourth main objective, i.e. sustainability, economics competitiveness, safety and reliability, and proliferation and physical protection. One of Gen-IV reactor type is Gas Cooled Fast Reactor (GFR). In this study, the analysis of fuel fraction in small GFR with nitride fuel has been done. The calculation was performed by SRAC code, both Pij and CITATION calculation. SRAC2002 system is a code system applicable to analyze the neutronics of variety reactor type. And for the data library used JENDL-3.2. The step of SRAC calculation is fuel pin calculated by Pij calculation until the data homogenized, after it homogenized we calculate core reactor. The variation of fuel fraction is 40% up to 65%. The optimum design of 500MWth GFR without refueling with 10 years burn up time reach when radius F1:F2:F3 = 50cm:30cm:30cm and height F1:F2:F3 = 50cm:40cm:30cm, variation percentage Plutonium in F1:F2:F3 = 7%:10%:13%. The optimum fuel fraction is 41% with addition 2% Plutonium weapon grade mix in the fuel. The excess reactivity value in this case 1.848% and the k-eff value is 1.01883. The high burn up reached when the fuel fraction is low. In this study 41% fuel fraction produce faster fissile fuel, so it has highest burn-up level than the other fuel fraction.

Role of CoFeB thickness in electric field controlled sub-100 nm sized magnetic tunnel junctions

NASA Astrophysics Data System (ADS)

Lourembam, James; Huang, Jiancheng; Lim, Sze Ter; Gerard, Ernult Franck

2018-05-01

We report a comprehensive study on the role of the free layer thickness (tF) in electric-field controlled nanoscale perpendicular magnetic tunnel junctions (MTJs), comprising of free layer structure Ta/Co40Fe40B20/MgO, by using dc magnetoresistance and ultra-short magnetization switching measurements. Focusing on MTJs that exhibits positive effective device anisotropy (Keff), we observe that both the voltage-controlled magnetic anisotropy (ξ) and voltage modulation of coercivity show strong dependence on tF. We found that ξ varies dramatically and unexpectedly from ˜-3 fJ/V-m to ˜-41 fJ/V-m with increasing tF. We discuss the possibilities of electric-field tuning of the effective surface anisotropy term, KS as well as an additional interfacial magnetoelastic anisotropy term, K3 that scales with 1 /tF2. Voltage pulse induced 180° magnetization reversal is also demonstrated in our MTJs. Unipolar switching and oscillatory function of switching probability vs. pulse duration can be observed at higher tF, and agrees well with the two key device parameters — Keff and ξ.

Studies of PuF sub 6 and transplutonic materials' critical properties for space high power nuclear pumped lasers

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

Gu, A.G.; Miller, M.S.

1991-01-01

All space missions require a reliable, compact source of energy. This paper describes preliminary neutronics studies of pocket'' reactor concepts employing PuF{sub 6} and transplutonic materials as fuels for space high power/energy Nuclear Pumped Lasers (NPLs). Previous research has studied NPL reactor concepts with thin fuel layers, aerosol fuels and gaseous UF{sub 6}. The total reactor volumes for compact reactors with these types of fuels typically range from 3 m{sup 3} to 50 m{sup 3}. By employing PuF{sub 6} and transplutonic fuels at the same low densities, a calculated value for Keff of 1.2 has been achieved for conditions ofmore » 900 K and 5 atm, with total reactor volumes of 1.5 m{sup 3} for PuF{sub 6}, 0.51 m{sup 3} for Am-242m, 0.58 m{sup 3} for Cm-245 and 0.63 m{sup 3} for Cf-249.« less

Benchmark Evaluation of HTR-PROTEUS Pebble Bed Experimental Program

DOE PAGES

Bess, John D.; Montierth, Leland; Köberl, Oliver; ...

2014-10-09

Benchmark models were developed to evaluate 11 critical core configurations of the HTR-PROTEUS pebble bed experimental program. Various additional reactor physics measurements were performed as part of this program; currently only a total of 37 absorber rod worth measurements have been evaluated as acceptable benchmark experiments for Cores 4, 9, and 10. Dominant uncertainties in the experimental keff for all core configurations come from uncertainties in the ²³⁵U enrichment of the fuel, impurities in the moderator pebbles, and the density and impurity content of the radial reflector. Calculations of k eff with MCNP5 and ENDF/B-VII.0 neutron nuclear data aremore » greater than the benchmark values but within 1% and also within the 3σ uncertainty, except for Core 4, which is the only randomly packed pebble configuration. Repeated calculations of k eff with MCNP6.1 and ENDF/B-VII.1 are lower than the benchmark values and within 1% (~3σ) except for Cores 5 and 9, which calculate lower than the benchmark eigenvalues within 4σ. The primary difference between the two nuclear data libraries is the adjustment of the absorption cross section of graphite. Simulations of the absorber rod worth measurements are within 3σ of the benchmark experiment values. The complete benchmark evaluation details are available in the 2014 edition of the International Handbook of Evaluated Reactor Physics Benchmark Experiments.« less

Green Power Equivalency Calculator - Calculations and References

EPA Pesticide Factsheets

Green power products eligible to be certified by an independent third party against national standards. As a matter of best practice and consumer protection, EPA strongly encourages organizations to purchase these types of certified green power products.

The design of a multisource americium-beryllium (Am-Be) neutron irradiation facility using MCNP for the neutronic performance calculation.

PubMed

Sogbadji, R B M; Abrefah, R G; Nyarko, B J B; Akaho, E H K; Odoi, H C; Attakorah-Birinkorang, S

2014-08-01

The americium-beryllium neutron irradiation facility at the National Nuclear Research Institute (NNRI), Ghana, was re-designed with four 20 Ci sources using Monte Carlo N-Particle (MCNP) code to investigate the maximum amount of flux that is produced by the combined sources. The results were compared with a single source Am-Be irradiation facility. The main objective was to enable us to harness the maximum amount of flux for the optimization of neutron activation analysis and to enable smaller sample sized samples to be irradiated. Using MCNP for the design construction and neutronic performance calculation, it was realized that the single-source Am-Be design produced a thermal neutron flux of (1.8±0.0007)×10(6) n/cm(2)s and the four-source Am-Be design produced a thermal neutron flux of (5.4±0.0007)×10(6) n/cm(2)s which is a factor of 3.5 fold increase compared to the single-source Am-Be design. The criticality effective, k(eff), of the single-source and the four-source Am-Be designs were found to be 0.00115±0.0008 and 0.00143±0.0008, respectively. Copyright © 2014 Elsevier Ltd. All rights reserved.

Impact Damage and Erosion of Ceramics and Composites.

DTIC Science & Technology

1980-12-31

local fracture toughness, Keff’ with crack length, a, was used to determine the fracture criticality. Specifically, the fracture toughness was chosen...A complete description of strength behaviors thus requires an experimental determination of the local toughness, One of us (A. V. Virkar) is currently...34Simulated Strength - Grain Size Study Using Glass- Glass Ceramic Composite System," submitted to Journal of Materials Science, (1979). -~_ 6 I ~ -_- 0

Dynamic Failure of Materials: A Review

DTIC Science & Technology

2010-08-01

stress states . It is currently unknown how well the current trend of multi-scale modeling will impact dynamic failure; however... stress can exist in the necked region after a neck is formed due to the nonuniformity of the necked region. This triaxial stress state is extremely...7 into 8, the effective stress intensity factor (Keff) can be determined in terms of the stress intensity factor (K). Because the onset of

Distribution of green open space in Malang City based on multispectral data

NASA Astrophysics Data System (ADS)

Hasyim, A. W.; Hernawan, F. P.

2017-06-01

Green open space is one of the land that its existence is quite important in urban areas where the minimum area is set to reach 30% of the total area of the city. Malang which has an area of 110,6 square kilometers, is one of the major cities in East Java Province that is prone to over-land conversion due to development needs. In support of the green space program, calculation of green space is needed precisely so that remote sensing which has high accuracy is now used for measurement of green space. This study aims to analyze the area of green open space in Malang by using Landsat 8 image in 2015. The method used was the vegetation index that is Normalized Difference Vegetation Index (NDVI). From the study obtained the calculation of green open space was better to use the vegetation index method to avoid the occurrence of misclassification of other types of land use. The results of the calculation of green open space using NDVI found that the area of green open space in Malang City in 2015 reached 39% of the total area.

The calculation of viscosity of liquid n-decane and n-hexadecane by the Green-Kubo method

NASA Astrophysics Data System (ADS)

Cui, S. T.; Cummings, P. T.; Cochran, H. D.

This short commentary presents the result of long molecular dynamics simulation calculations of the shear viscosity of liquid n-decane and n-hexadecane using the Green-Kubo integration method. The relaxation time of the stress-stress correlation function is compared with those of rotation and diffusion. The rotational and diffusional relaxation times, which are easy to calculate, provide useful guides for the required simulation time in viscosity calculations. Also, the computational time required for viscosity calculations of these systems by the Green-Kubo method is compared with the time required for previous non-equilibrium molecular dynamics calculations of the same systems. The method of choice for a particular calculation is determined largely by the properties of interest, since the efficiencies of the two methods are comparable for calculation of the zero strain rate viscosity.

Green Power Equivalency Calculator

EPA Pesticide Factsheets

Use this calculator to translate your green power use from kilowatt-hours to more understandable terms, such as the equivalent number of average American homes it could power or miles an electric car could drive.

Monte Carlo Techniques for Nuclear Systems - Theory Lectures

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

Brown, Forrest B.

These are lecture notes for a Monte Carlo class given at the University of New Mexico. The following topics are covered: course information; nuclear eng. review & MC; random numbers and sampling; computational geometry; collision physics; tallies and statistics; eigenvalue calculations I; eigenvalue calculations II; eigenvalue calculations III; variance reduction; parallel Monte Carlo; parameter studies; fission matrix and higher eigenmodes; doppler broadening; Monte Carlo depletion; HTGR modeling; coupled MC and T/H calculations; fission energy deposition. Solving particle transport problems with the Monte Carlo method is simple - just simulate the particle behavior. The devil is in the details, however. Thesemore » lectures provide a balanced approach to the theory and practice of Monte Carlo simulation codes. The first lectures provide an overview of Monte Carlo simulation methods, covering the transport equation, random sampling, computational geometry, collision physics, and statistics. The next lectures focus on the state-of-the-art in Monte Carlo criticality simulations, covering the theory of eigenvalue calculations, convergence analysis, dominance ratio calculations, bias in Keff and tallies, bias in uncertainties, a case study of a realistic calculation, and Wielandt acceleration techniques. The remaining lectures cover advanced topics, including HTGR modeling and stochastic geometry, temperature dependence, fission energy deposition, depletion calculations, parallel calculations, and parameter studies. This portion of the class focuses on using MCNP to perform criticality calculations for reactor physics and criticality safety applications. It is an intermediate level class, intended for those with at least some familiarity with MCNP. Class examples provide hands-on experience at running the code, plotting both geometry and results, and understanding the code output. The class includes lectures & hands-on computer use for a variety of Monte Carlo calculations. Beginning MCNP users are encouraged to review LA-UR-09-00380, "Criticality Calculations with MCNP: A Primer (3nd Edition)" (available at http:// mcnp.lanl.gov under "Reference Collection") prior to the class. No Monte Carlo class can be complete without having students write their own simple Monte Carlo routines for basic random sampling, use of the random number generator, and simplified particle transport simulation.« less

Separation of Cs and Sr from LiCl-KCl eutectic salt via a zone-refining process for pyroprocessing waste salt minimization

NASA Astrophysics Data System (ADS)

Shim, Moonsoo; Choi, Ho-Gil; Choi, Jeong-Hun; Yi, Kyung-Woo; Lee, Jong-Hyeon

2017-08-01

The purification of a LiCl-KCl salt mixture was carried out by a zone-refining process. To improve the throughput of zone refining, three heaters were installed in the zone refiner. The zone-refining method was used to grow pure LiCl-KCl salt ingots from a LiCl-KCl-CsCl-SrCl2 salt mixture. The main investigated parameters were the heater speed and the number of passes. From each zone-refined salt ingot, samples were collected axially along the salt ingot and the concentrations of Sr and Cs were determined. Experimental results show that the Sr and Cs concentrations at the initial region of the ingot were low and increased to a maximum at the final freezing region of the salt ingot. Concentration results of the zone-refined salt were compared with theoretical results furnished by the proposed model to validate its predictions. The keff values for Sr and Cs were 0.55 and 0.47, respectively. The correlation between the salt composition and separation behavior was also investigated. The keff values of the Sr in LiCl-KCl-SrCl2 and the Cs in LiCl-KCl-CsCl were found to be 0.53 and 0.44, respectively, by fitting the experimental data into the proposed model.

Results of the Simulation of the HTR-Proteus Core 4.2 Using PEBBED-COMBINE: FY10 Report

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

Hans Gougar

2010-07-01

ABSTRACT The Idaho National Laboratory’s deterministic neutronics analysis codes and methods were applied to the computation of the core multiplication factor of the HTR-Proteus pebble bed reactor critical facility. This report is a follow-on to INL/EXT-09-16620 in which the same calculation was performed but using earlier versions of the codes and less developed methods. In that report, results indicated that the cross sections generated using COMBINE-7.0 did not yield satisfactory estimates of keff. It was concluded in the report that the modeling of control rods was not satisfactory. In the past year, improvements to the homogenization capability in COMBINE havemore » enabled the explicit modeling of TRIS particles, pebbles, and heterogeneous core zones including control rod regions using a new multi-scale version of COMBINE in which the 1-dimensional discrete ordinate transport code ANISN has been integrated. The new COMBINE is shown to yield benchmark quality results for pebble unit cell models, the first step in preparing few-group diffusion parameters for core simulations. In this report, the full critical core is modeled once again but with cross sections generated using the capabilities and physics of the improved COMBINE code. The new PEBBED-COMBINE model enables the exact modeling of the pebbles and control rod region along with better approximation to structures in the reflector. Initial results for the core multiplication factor indicate significant improvement in the INL’s tools for modeling the neutronic properties of a pebble bed reactor. Errors on the order of 1.6-2.5% in keff are obtained; a significant improvement over the 5-6% error observed in the earlier This is acceptable for a code system and model in the early stages of development but still too high for a production code. Analysis of a simpler core model indicates an over-prediction of the flux in the low end of the thermal spectrum. Causes of this discrepancy are under investigation. New homogenization techniques and assumptions were used in this analysis and as such, they require further confirmation and validation. Further refinement and review of the complex Proteus core model are likely to reduce the errors even further.« less

Toolkit of Available EPA Green Infrastructure Modeling ...

EPA Pesticide Factsheets

This webinar will present a toolkit consisting of five EPA green infrastructure models and tools, along with communication material. This toolkit can be used as a teaching and quick reference resource for use by planners and developers when making green infrastructure implementation decisions. It can also be used for low impact development design competitions. Models and tools included: Green Infrastructure Wizard (GIWiz), Watershed Management Optimization Support Tool (WMOST), Visualizing Ecosystem Land Management Assessments (VELMA) Model, Storm Water Management Model (SWMM), and the National Stormwater Calculator (SWC). This webinar will present a toolkit consisting of five EPA green infrastructure models and tools, along with communication material. This toolkit can be used as a teaching and quick reference resource for use by planners and developers when making green infrastructure implementation decisions. It can also be used for low impact development design competitions. Models and tools included: Green Infrastructure Wizard (GIWiz), Watershed Management Optimization Support Tool (WMOST), Visualizing Ecosystem Land Management Assessments (VELMA) Model, Storm Water Management Model (SWMM), and the National Stormwater Calculator (SWC).

Application of perturbation theory to lattice calculations based on method of cyclic characteristics

NASA Astrophysics Data System (ADS)

Assawaroongruengchot, Monchai

Perturbation theory is a technique used for the estimation of changes in performance functionals, such as linear reaction rate ratio and eigenvalue affected by small variations in reactor core compositions. Here the algorithm of perturbation theory is developed for the multigroup integral neutron transport problems in 2D fuel assemblies with isotropic scattering. The integral transport equation is used in the perturbative formulation because it represents the interconnecting neutronic systems of the lattice assemblies via the tracking lines. When the integral neutron transport equation is used in the formulation, one needs to solve the resulting integral transport equations for the flux importance and generalized flux importance functions. The relationship between the generalized flux importance and generalized source importance functions is defined in order to transform the generalized flux importance transport equations into the integro-differential equations for the generalized adjoints. Next we develop the adjoint and generalized adjoint transport solution algorithms based on the method of cyclic characteristics (MOCC) in DRAGON code. In the MOCC method, the adjoint characteristics equations associated with a cyclic tracking line are formulated in such a way that a closed form for the adjoint angular function can be obtained. The MOCC method then requires only one cycle of scanning over the cyclic tracking lines in each spatial iteration. We also show that the source importance function by CP method is mathematically equivalent to the adjoint function by MOCC method. In order to speed up the MOCC solution algorithm, a group-reduction and group-splitting techniques based on the structure of the adjoint scattering matrix are implemented. A combined forward flux/adjoint function iteration scheme, based on the group-splitting technique and the common use of a large number of variables storing tracking-line data and exponential values, is proposed to reduce the computing time when both direct and adjoint solutions are required. A problem that arises for the generalized adjoint problem is that the direct use of the negative external generalized adjoint sources in the adjoint solution algorithm results in negative generalized adjoint functions. A coupled flux biasing/decontamination scheme is applied to make the generalized adjoint functions positive using the adjoint functions in such a way that it can be used for the multigroup rebalance technique. Next we consider the application of the perturbation theory to the reactor problems. Since the coolant void reactivity (CVR) is a important factor in reactor safety analysis, we have decided to select this parameter for optimization studies. We consider the optimization and adjoint sensitivity techniques for the adjustments of CVR at beginning of burnup cycle (BOC) and k eff at end of burnup cycle (EOC) for a 2D Advanced CANDU Reactor (ACR) lattice. The sensitivity coefficients are evaluated using the perturbation theory based on the integral transport equations. Three sets of parameters for CVR-BOC and keff-EOC adjustments are studied: (1) Dysprosium density in the central pin with Uranium enrichment in the outer fuel rings, (2) Dysprosium density and Uranium enrichment both in the central pin, and (3) the same parameters as in the first case but the objective is to obtain a negative checkerboard CVR at beginning of cycle (CBCVR-BOC). To approximate the sensitivity coefficient at EOC, we perform constant-power burnup/depletion calculations for 600 full power days (FPD) using a slightly perturbed nuclear library and the unperturbed neutron fluxes to estimate the variation of nuclide densities at EOC. Sensitivity analyses of CVR and eigenvalue are included in the study. In addition the optimization and adjoint sensitivity techniques are applied to the CBCVR-BOC and keff-EOC adjustment of the ACR lattices with Gadolinium in the central pin. Finally we apply these techniques to the CVR-BOC, CVR-EOC and keff-EOC adjustment of a CANDU lattice of which the burnup period is extended from 300 to 450 FPDs. The cases with the central pin containing either Dysprosium or Gadolinium in the natural Uranium are considered in our study. (Abstract shortened by UMI.)

A new numerical algorithm for the analytic continuation of Green`s functions

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

Natoli, V.D.; Cohen, M.H.; Fornberg, B.

1996-06-01

The need to calculate the spectral properties of a Hermitian operation H frequently arises in the technical sciences. A common approach to its solution involves the construction of the Green`s function operator G(z) = [z - H]{sup -1} in the complex z plane. For example, the energy spectrum and other physical properties of condensed matter systems can often be elegantly and naturally expressed in terms of the Kohn-Sham Green`s functions. However, the nonanalyticity of resolvents on the real axis makes them difficult to compute and manipulate. The Herglotz property of a Green`s function allows one to calculate it along anmore » arc with a small but finite imaginary part, i.e., G(x + iy), and then to continue it to the real axis to determine quantities of physical interest. In the past, finite-difference techniques have been used for this continuation. We present here a fundamentally new algorithm based on the fast Fourier transform which is both simpler and more effective. 14 refs., 9 figs.« less

Nuclear Data Needs for the Neutronic Design of MYRRHA Fast Spectrum Research Reactor

NASA Astrophysics Data System (ADS)

Stankovskiy, A.; Malambu, E.; Van den Eynde, G.; Díez, C. J.

2014-04-01

A global sensitivity analysis of effective neutron multiplication factor to the change of nuclear data library has been performed. It revealed that the test version of JEFF-3.2 neutron-induced evaluated data library produces closer results to ENDF/B-VII.1 than JEFF-3.1.2 does. The analysis of contributions of individual evaluations into keff sensitivity resulted in the priority list of nuclides, uncertainties on cross sections and fission neutron multiplicities of which have to be improved by setting up dedicated differential and integral experiments.

Soak Up the Rain New England Webinar Series: National Stormwater Calculator

EPA Science Inventory

Presenters will provide an introduction to the most recent EPA green infrastructure tools to R1 stakeholders; and their use in making decisions about implementing green infrastructure. We will discuss structuring your green infrastructure decision, finding appropriate information...

Non-linear vacuum polarization in strong fields

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

Gyulassy, M.

1981-07-01

The Wichmann-Kroll formalism for calculating the vacuum polarization density to first order in ..cap alpha.. but to all orders in Z..cap alpha.. is derived. The most essential quantity is shown to be the electrons Green's function in these calculations. The method of constructing that Green's function in the field of finite radius nuclei is then presented.

Toolkit of Available EPA Green Infrastructure Modeling Software. National Stormwater Calculator

EPA Science Inventory

This webinar will present a toolkit consisting of five EPA green infrastructure models and tools, along with communication material. This toolkit can be used as a teaching and quick reference resource for use by planners and developers when making green infrastructure implementat...

The effect of dipole-dipole interactions on coercivity, anisotropy constant, and blocking temperature of MnFe2O4 nanoparticles

NASA Astrophysics Data System (ADS)

Aslibeiki, B.; Kameli, P.; Salamati, H.

2016-02-01

Superparamagnetic manganese ferrite nanoparticles with mean size of = 6.5(±1.5) nm were synthesized through a solvothermal method using Tri-ethylene glycol as a solvent. The peak temperature of zero field cooled measurements of magnetization and AC magnetic susceptibility curves shifted toward higher temperatures by applying different pressures from 0 to 1 kbar and increasing the powders compaction. The frequency dependence of AC susceptibility measurements indicated the presence of weak dipole-dipole interactions between nanoparticles. By increasing the powders compaction and interactions strength, the coercive field (Hc) increased and squareness (Mr/Ms) decreased. The obtained effective anisotropy constant (Keff), by susceptibility measurements, was from 1.72 × 106 to 2.36 × 106 ergs/cm3 for pressure of 0 to 1 kbar. These values are larger than those obtained from hysteresis loops at 5 K (0.14 × 106 to 0.34 × 106 erg/cm3). Also, the Keff was two orders of magnitude greater than that of bulk MnFe2O4. Size, surface effects, and total energy barrier between equilibrium states were reported as the main causes of large anisotropy. Below 75 K, a signature of weak surface spin glass was observed. However, memory effect experiment indicated that there is no collective superspin glass state in the samples. This study suggests the role of powders compaction on properties of a magnetic nanoparticles system. Furthermore, the coercivity, the anisotropy constant, and the blocking temperature are affected by changing nanoparticles compaction.

Finite Temperature Densities via the S-Function Method with Application to Electron Screening in Plasmas

NASA Astrophysics Data System (ADS)

Watrous, Mitchell James

1997-12-01

A new approach to the Green's-function method for the calculation of equilibrium densities within the finite temperature, Kohn-Sham formulation of density functional theory is presented, which extends the method to all temperatures. The contour of integration in the complex energy plane is chosen such that the density is given by a sum of Green's function differences evaluated at the Matsubara frequencies, rather than by the calculation and summation of Kohn-Sham single-particle wave functions. The Green's functions are written in terms of their spectral representation and are calculated as the solutions of their defining differential equations. These differential equations are boundary value problems as opposed to the standard eigenvalue problems. For large values of the complex energy, the differential equations are further simplified from second to first-order by writing the Green's functions in terms of logarithmic derivatives. An asymptotic expression for the Green's functions is derived, which allows the sum over Matsubara poles to be approximated. The method is applied to the screening of nuclei by electrons in finite temperature plasmas. To demonstrate the method's utility, and to illustrate its advantages, the results of previous wave function type calculations for protons and neon nuclei are reproduced. The method is also used to formulate a new screening model for fusion reactions in the solar core, and the predicted reaction rate enhancements factors are compared with existing models.

Nonequilibrium Green's function theory for nonadiabatic effects in quantum electron transport

NASA Astrophysics Data System (ADS)

Kershaw, Vincent F.; Kosov, Daniel S.

2017-12-01

We develop nonequilibrium Green's function-based transport theory, which includes effects of nonadiabatic nuclear motion in the calculation of the electric current in molecular junctions. Our approach is based on the separation of slow and fast time scales in the equations of motion for Green's functions by means of the Wigner representation. Time derivatives with respect to central time serve as a small parameter in the perturbative expansion enabling the computation of nonadiabatic corrections to molecular Green's functions. Consequently, we produce a series of analytic expressions for non-adiabatic electronic Green's functions (up to the second order in the central time derivatives), which depend not solely on the instantaneous molecular geometry but likewise on nuclear velocities and accelerations. An extended formula for electric current is derived which accounts for the non-adiabatic corrections. This theory is concisely illustrated by the calculations on a model molecular junction.

Nonequilibrium Green's function theory for nonadiabatic effects in quantum electron transport.

PubMed

Kershaw, Vincent F; Kosov, Daniel S

2017-12-14

We develop nonequilibrium Green's function-based transport theory, which includes effects of nonadiabatic nuclear motion in the calculation of the electric current in molecular junctions. Our approach is based on the separation of slow and fast time scales in the equations of motion for Green's functions by means of the Wigner representation. Time derivatives with respect to central time serve as a small parameter in the perturbative expansion enabling the computation of nonadiabatic corrections to molecular Green's functions. Consequently, we produce a series of analytic expressions for non-adiabatic electronic Green's functions (up to the second order in the central time derivatives), which depend not solely on the instantaneous molecular geometry but likewise on nuclear velocities and accelerations. An extended formula for electric current is derived which accounts for the non-adiabatic corrections. This theory is concisely illustrated by the calculations on a model molecular junction.

Virtually going green: The role of quantum computational chemistry in reducing pollution and toxicity in chemistry

NASA Astrophysics Data System (ADS)

Stevens, Jonathan

2017-07-01

Continuing advances in computational chemistry has permitted quantum mechanical calculation to assist in research in green chemistry and to contribute to the greening of chemical practice. Presented here are recent examples illustrating the contribution of computational quantum chemistry to green chemistry, including the possibility of using computation as a green alternative to experiments, but also illustrating contributions to greener catalysis and the search for greener solvents. Examples of applications of computation to ambitious projects for green synthetic chemistry using carbon dioxide are also presented.

Simulation des fuites neutroniques a l'aide d'un modele B1 heterogene pour des reacteurs a neutrons rapides et a eau legere

NASA Astrophysics Data System (ADS)

Faure, Bastien

The neutronic calculation of a reactor's core is usually done in two steps. After solving the neutron transport equation over an elementary domain of the core, a set of parameters, namely macroscopic cross sections and potentially diffusion coefficients, are defined in order to perform a full core calculation. In the first step, the cell or assembly is calculated using the "fundamental mode theory", the pattern being inserted in an infinite lattice of periodic structures. This simple representation allows a precise modeling for the geometry and the energy variable and can be treated within transport theory with minimalist approximations. However, it supposes that the reactor's core can be treated as a periodic lattice of elementary domains, which is already a big hypothesis, and cannot, at first sight, take into account neutron leakage between two different zones and out of the core. The leakage models propose to correct the transport equation with an additional leakage term in order to represent this phenomenon. For historical reasons, numerical methods for solving the transport equation being limited by computer's features (processor speeds and memory sizes), the leakage term is, in most cases, modeled by a homogeneous and isotropic probability within a "homogeneous leakage model". Driven by technological innovation in the computer science field, "heterogeneous leakage models" have been developed and implemented in several neutron transport calculation codes. This work focuses on a study of some of those models, including the TIBERE model from the DRAGON-3 code developed at Ecole Polytechnique de Montreal, as well as the heterogeneous model from the APOLLO-3 code developed at Commissariat a l'Energie Atomique et aux energies alternatives. The research based on sodium cooled fast reactors and light water reactors has allowed us to demonstrate the interest of those models compared to a homogeneous leakage model. In particular, it has been shown that a heterogeneous model has a significant impact on the calculation of the out of core leakage rate that permits a better estimation of the transport equation eigenvalue Keff . The neutron streaming between two zones of different compositions was also proven to be better calculated.

Using NDVI to assess departure from average greenness and its relation to fire business

Treesearch

Robert E. Burgan; Roberta A. Hartford; Jeffery C. Eidenshink

1996-01-01

A new satellite-derived vegetation greenness map, departure from average, is designed to compare current-year vegetation greenness with average greenness for the same time of year. Live-fuel condition as portrayed on this map, and the calculated 1,000-hour fuel moistures, are compared to fire occurrence and area burned in Montana and Idaho during the 1993 and 1994 fire...

Relationship between neighbourhood socioeconomic position and neighbourhood public green space availability: An environmental inequality analysis in a large German city applying generalized linear models.

PubMed

Schüle, Steffen Andreas; Gabriel, Katharina M A; Bolte, Gabriele

2017-06-01

The environmental justice framework states that besides environmental burdens also resources may be social unequally distributed both on the individual and on the neighbourhood level. This ecological study investigated whether neighbourhood socioeconomic position (SEP) was associated with neighbourhood public green space availability in a large German city with more than 1 million inhabitants. Two different measures were defined for green space availability. Firstly, percentage of green space within neighbourhoods was calculated with the additional consideration of various buffers around the boundaries. Secondly, percentage of green space was calculated based on various radii around the neighbourhood centroid. An index of neighbourhood SEP was calculated with principal component analysis. Log-gamma regression from the group of generalized linear models was applied in order to consider the non-normal distribution of the response variable. All models were adjusted for population density. Low neighbourhood SEP was associated with decreasing neighbourhood green space availability including 200m up to 1000m buffers around the neighbourhood boundaries. Low neighbourhood SEP was also associated with decreasing green space availability based on catchment areas measured from neighbourhood centroids with different radii (1000m up to 3000 m). With an increasing radius the strength of the associations decreased. Social unequally distributed green space may amplify environmental health inequalities in an urban context. Thus, the identification of vulnerable neighbourhoods and population groups plays an important role for epidemiological research and healthy city planning. As a methodical aspect, log-gamma regression offers an adequate parametric modelling strategy for positively distributed environmental variables. Copyright © 2017 Elsevier GmbH. All rights reserved.

Efficiency optimization of a fast Poisson solver in beam dynamics simulation

NASA Astrophysics Data System (ADS)

Zheng, Dawei; Pöplau, Gisela; van Rienen, Ursula

2016-01-01

Calculating the solution of Poisson's equation relating to space charge force is still the major time consumption in beam dynamics simulations and calls for further improvement. In this paper, we summarize a classical fast Poisson solver in beam dynamics simulations: the integrated Green's function method. We introduce three optimization steps of the classical Poisson solver routine: using the reduced integrated Green's function instead of the integrated Green's function; using the discrete cosine transform instead of discrete Fourier transform for the Green's function; using a novel fast convolution routine instead of an explicitly zero-padded convolution. The new Poisson solver routine preserves the advantages of fast computation and high accuracy. This provides a fast routine for high performance calculation of the space charge effect in accelerators.

A Comparison of Monte Carlo and Deterministic Solvers for keff and Sensitivity Calculations

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

Haeck, Wim; Parsons, Donald Kent; White, Morgan Curtis

Verification and validation of our solutions for calculating the neutron reactivity for nuclear materials is a key issue to address for many applications, including criticality safety, research reactors, power reactors, and nuclear security. Neutronics codes solve variations of the Boltzmann transport equation. The two main variants are Monte Carlo versus deterministic solutions, e.g. the MCNP [1] versus PARTISN [2] codes, respectively. There have been many studies over the decades that examined the accuracy of such solvers and the general conclusion is that when the problems are well-posed, either solver can produce accurate results. However, the devil is always in themore » details. The current study examines the issue of self-shielding and the stress it puts on deterministic solvers. Most Monte Carlo neutronics codes use continuous-energy descriptions of the neutron interaction data that are not subject to this effect. The issue of self-shielding occurs because of the discretisation of data used by the deterministic solutions. Multigroup data used in these solvers are the average cross section and scattering parameters over an energy range. Resonances in cross sections can occur that change the likelihood of interaction by one to three orders of magnitude over a small energy range. Self-shielding is the numerical effect that the average cross section in groups with strong resonances can be strongly affected as neutrons within that material are preferentially absorbed or scattered out of the resonance energies. This affects both the average cross section and the scattering matrix.« less

Multipoint Green's functions in 1 + 1 dimensional integrable quantum field theories

DOE PAGES

Babujian, H. M.; Karowski, M.; Tsvelik, A. M.

2017-02-14

We calculate the multipoint Green functions in 1+1 dimensional integrable quantum field theories. We use the crossing formula for general models and calculate the 3 and 4 point functions taking in to account only the lower nontrivial intermediate states contributions. Then we apply the general results to the examples of the scaling Z 2 Ising model, sinh-Gordon model and Z 3 scaling Potts model. We demonstrate this calculations explicitly. The results can be applied to physical phenomena as for example to the Raman scattering.

Impacts of software and its engineering on the carbon footprint of ICT

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

Kern, Eva, E-mail: e.kern@umwelt-campus.de; Dick, Markus, E-mail: sustainablesoftwareblog@gmail.com; Naumann, Stefan, E-mail: s.naumann@umwelt-campus.de

2015-04-15

The energy consumption of information and communication technology (ICT) is still increasing. Even though several solutions regarding the hardware side of Green IT exist, the software contribution to Green IT is not well investigated. The carbon footprint is one way to rate the environmental impacts of ICT. In order to get an impression of the induced CO{sub 2} emissions of software, we will present a calculation method for the carbon footprint of a software product over its life cycle. We also offer an approach on how to integrate some aspects of carbon footprint calculation into software development processes and discussmore » impacts and tools regarding this calculation method. We thus show the relevance of energy measurements and the attention to impacts on the carbon footprint by software within Green Software Engineering.« less

Simulations of Coulomb systems confined by polarizable surfaces using periodic Green functions.

PubMed

Dos Santos, Alexandre P; Girotto, Matheus; Levin, Yan

2017-11-14

We present an efficient approach for simulating Coulomb systems confined by planar polarizable surfaces. The method is based on the solution of the Poisson equation using periodic Green functions. It is shown that the electrostatic energy arising from the surface polarization can be decoupled from the energy due to the direct Coulomb interaction between the ions. This allows us to combine an efficient Ewald summation method, or any other fast method for summing over the replicas, with the polarization contribution calculated using Green function techniques. We apply the method to calculate density profiles of ions confined between the charged dielectric and metal surfaces.

Electronic Structure Calculation of Permanent Magnets using the KKR Green's Function Method

NASA Astrophysics Data System (ADS)

Doi, Shotaro; Akai, Hisazumi

2014-03-01

Electronic structure and magnetic properties of permanent magnetic materials, especially Nd2Fe14B, are investigated theoretically using the KKR Green's function method. Important physical quantities in magnetism, such as magnetic moment, Curie temperature, and anisotropy constant, which are obtained from electronics structure calculations in both cases of atomic-sphere-approximation and full-potential treatment, are compared with past band structure calculations and experiments. The site preference of heavy rare-earth impurities are also evaluated through the calculation of formation energy with the use of coherent potential approximations. Further, the development of electronic structure calculation code using the screened KKR for large super-cells, which is aimed at studying the electronic structure of realistic microstructures (e.g. grain boundary phase), is introduced with some test calculations.

Calculation of photoelectron spectra of molybdenum and tungsten complexes using Green's functions methods.

PubMed

Bayse, Craig A; Ortwine, Kristine N

2007-08-16

Green's functions calculations are presented for several complexes of molybdenum and tungsten, two metals that are similar structurally but display subtle, but significant, differences in electronic structure. Outer valence Green's functions IPs for M(CO)6, M(Me)6, MH6, [MCl4O](-), and [MO4](-) (M = Mo, W) are generally within +/-0.2 eV of available experimental photoelectron spectra. The calculations show that electrons in M-L bonding orbitals are ejected at lower energies for Mo while the detachment energy for electrons in d orbitals varies with metal and complex. For the metal carbonyls, the quasiparticle picture assumed in OVGF breaks down for the inner valence pi CO molecular orbitals due to the coupling of two-hole-one-particle charge transfer states to the one-hole states. Incorporation of the 2h1p states through a Tamm-Dancoff approximation calculation accurately represents the band due to detachment from these molecular orbitals. Though the ordering of IPs for Green's functions methods and DFT Koopmans' theorem IPs is similar for the highest IPs for most compounds considered, the breakdown of the quasiparticle picture for the metal carbonyls suggests that scaling of the latter values may result in a fortuitous or incorrect assignment of experimental VDEs.

Surface phonons and elastic surface waves

NASA Astrophysics Data System (ADS)

Büscher, H.; Klein-Heßling, W.; Ludwig, W.

Theoretical investigations on the dynamics of the (001), (110) and (111) surfaces of some cubic metals (Ag, Cu, Ni) will be reviewed. Both, lattice dynamical and continuum theoretical results are obtained via a Green's function formalism. The main attitude of this paper is the comparison of our results with experiments and with results obtained via slab-calculations. The calculation of elastic surface waves has been performed using a modified surface-green-function-matching method. We have used two different approaches of calculation the bulk Green's function (a) using the spectral representation and (b) a method, what works on residues. The investigations are carried out using shortrange phenomenological potentials. The atomic force constants in the first surface layers are modified to describe surface phonon anomalies, observed by experiments. In the case of Ag (100) and Ag(110) we conclude that the detection of odd symmetry shear modes by Erskine et al. [1 a, b] was not very accurate.

Cluster perturbation theory for calculation of electronic properties of ensembles of metal nanoclusters

NASA Astrophysics Data System (ADS)

Zhumagulov, Yaroslav V.; Krasavin, Andrey V.; Kashurnikov, Vladimir A.

2018-05-01

The method is developed for calculation of electronic properties of an ensemble of metal nanoclusters with the use of cluster perturbation theory. This method is applied to the system of gold nanoclusters. The Greens function of single nanocluster is obtained by ab initio calculations within the framework of the density functional theory, and then is used in Dyson equation to group nanoclusters together and to compute the Greens function as well as the electron density of states of the whole ensemble. The transition from insulator state of a single nanocluster to metallic state of bulk gold is observed.

EVALUATING METRICS FOR GREEN CHEMISTRIES: INFORMATION AND CALCULATION NEEDS

EPA Science Inventory

Research within the U.S. EPA's National Risk Management Research Laboratory is developing a methodology for the evaluation of green chemistries. This methodology called GREENSCOPE (Gauging Reaction Effectiveness for the ENvironmental Sustainability of Chemistries with a multi-Ob...

GPU-based Green's function simulations of shear waves generated by an applied acoustic radiation force in elastic and viscoelastic models.

PubMed

Yang, Yiqun; Urban, Matthew W; McGough, Robert J

2018-05-15

Shear wave calculations induced by an acoustic radiation force are very time-consuming on desktop computers, and high-performance graphics processing units (GPUs) achieve dramatic reductions in the computation time for these simulations. The acoustic radiation force is calculated using the fast near field method and the angular spectrum approach, and then the shear waves are calculated in parallel with Green's functions on a GPU. This combination enables rapid evaluation of shear waves for push beams with different spatial samplings and for apertures with different f/#. Relative to shear wave simulations that evaluate the same algorithm on an Intel i7 desktop computer, a high performance nVidia GPU reduces the time required for these calculations by a factor of 45 and 700 when applied to elastic and viscoelastic shear wave simulation models, respectively. These GPU-accelerated simulations also compared to measurements in different viscoelastic phantoms, and the results are similar. For parametric evaluations and for comparisons with measured shear wave data, shear wave simulations with the Green's function approach are ideally suited for high-performance GPUs.

Free radicals generated during oxidation of green tea polyphenols: electron paramagnetic resonance spectroscopy combined with density functional theory calculations.

PubMed

Severino, Joyce Ferreira; Goodman, Bernard A; Kay, Christopher W M; Stolze, Klaus; Tunega, Daniel; Reichenauer, Thomas G; Pirker, Katharina F

2009-04-15

Electron paramagnetic resonance spectroscopy and density functional theory calculations have been used to investigate the redox properties of the green tea polyphenols (GTPs) (-)-epigallocatechin gallate (EGCG), (-)-epigallocatechin (EGC), and (-)-epicatechin gallate (ECG). Aqueous extracts of green tea and these individual phenols were autoxidized at alkaline pH and oxidized by superoxide anion (O(2)(-)) radicals in dimethyl sulfoxide. Several new aspects of the free radical chemistry of GTPs were revealed. EGCG can be oxidized on both the B and the D ring. The B ring was the main oxidation site during autoxidation, but the D ring was the preferred site for O(2)(-) oxidation. Oxidation of the D ring was followed by structural degradation, leading to generation of a radical identical to that of oxidized gallic acid. Alkaline autoxidation of green tea extracts produced four radicals that were related to products of the oxidation of EGCG, EGC, ECG, and gallic acid, whereas the spectra from O(2)(-) oxidation could be explained solely by radicals generated from EGCG. Assignments of hyperfine coupling constants were made by DFT calculations, allowing the identities of the radicals observed to be confirmed.

Time-domain comparisons of power law attenuation in causal and noncausal time-fractional wave equations

PubMed Central

Zhao, Xiaofeng; McGough, Robert J.

2016-01-01

The attenuation of ultrasound propagating in human tissue follows a power law with respect to frequency that is modeled by several different causal and noncausal fractional partial differential equations. To demonstrate some of the similarities and differences that are observed in three related time-fractional partial differential equations, time-domain Green's functions are calculated numerically for the power law wave equation, the Szabo wave equation, and for the Caputo wave equation. These Green's functions are evaluated for water with a power law exponent of y = 2, breast with a power law exponent of y = 1.5, and liver with a power law exponent of y = 1.139. Simulation results show that the noncausal features of the numerically calculated time-domain response are only evident very close to the source and that these causal and noncausal time-domain Green's functions converge to the same result away from the source. When noncausal time-domain Green's functions are convolved with a short pulse, no evidence of noncausal behavior remains in the time-domain, which suggests that these causal and noncausal time-fractional models are equally effective for these numerical calculations. PMID:27250193

Estimating tree bole and log weights from green densities measured with the Bergstrom Xylodensimeter.

Treesearch

Dale R. Waddell; Michael B. Lambert; W.Y. Pong

1984-01-01

The performance of the Bergstrom xylodensimeter, designed to measure the green density of wood, was investigated and compared with a technique that derived green densities from wood disk samples. In addition, log and bole weights of old-growth Douglas-fir and western hemlock were calculated by various formulas and compared with lifted weights measured with a load cell...

LSMS

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

Eisenbach, Markus; Li, Ying Wai; Liu, Xianglin

2017-12-01

LSMS is a first principles, Density Functional theory based, electronic structure code targeted mainly at materials applications. LSMS calculates the local spin density approximation to the diagonal part of the electron Green's function. The electron/spin density and energy are easily determined once the Green's function is known. Linear scaling with system size is achieved in the LSMS by using several unique properties of the real space multiple scattering approach to the Green's function.

Development of Multi-physics (Multiphase CFD + MCNP) simulation for generic solution vessel power calculation

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

Kim, Seung Jun; Buechler, Cynthia Eileen

The current study aims to predict the steady state power of a generic solution vessel and to develop a corresponding heat transfer coefficient correlation for a Moly99 production facility by conducting a fully coupled multi-physics simulation. A prediction of steady state power for the current application is inherently interconnected between thermal hydraulic characteristics (i.e. Multiphase computational fluid dynamics solved by ANSYS-Fluent 17.2) and the corresponding neutronic behavior (i.e. particle transport solved by MCNP6.2) in the solution vessel. Thus, the development of a coupling methodology is vital to understand the system behavior at a variety of system design and postulated operatingmore » scenarios. In this study, we report on the k-effective (keff) calculation for the baseline solution vessel configuration with a selected solution concentration using MCNP K-code modeling. The associated correlation of thermal properties (e.g. density, viscosity, thermal conductivity, specific heat) at the selected solution concentration are developed based on existing experimental measurements in the open literature. The numerical coupling methodology between multiphase CFD and MCNP is successfully demonstrated, and the detailed coupling procedure is documented. In addition, improved coupling methods capturing realistic physics in the solution vessel thermal-neutronic dynamics are proposed and tested further (i.e. dynamic height adjustment, mull-cell approach). As a key outcome of the current study, a multi-physics coupling methodology between MCFD and MCNP is demonstrated and tested for four different operating conditions. Those different operating conditions are determined based on the neutron source strength at a fixed geometry condition. The steady state powers for the generic solution vessel at various operating conditions are reported, and a generalized correlation of the heat transfer coefficient for the current application is discussed. The assessment of multi-physics methodology and preliminary results from various coupled calculations (power prediction and heat transfer coefficient) can be further utilized for the system code validation and generic solution vessel design improvement.« less

Research on the development of green chemistry technology assessment techniques: a material reutilization case.

PubMed

Hong, Seokpyo; Ahn, Kilsoo; Kim, Sungjune; Gong, Sungyong

2015-01-01

This study presents a methodology that enables a quantitative assessment of green chemistry technologies. The study carries out a quantitative evaluation of a particular case of material reutilization by calculating the level of "greenness" i.e., the level of compliance with the principles of green chemistry that was achieved by implementing a green chemistry technology. The results indicate that the greenness level was enhanced by 42% compared to the pre-improvement level, thus demonstrating the economic feasibility of green chemistry. The assessment technique established in this study will serve as a useful reference for setting the direction of industry-level and government-level technological R&D and for evaluating newly developed technologies, which can greatly contribute toward gaining a competitive advantage in the global market.

Multiple and Single Green Area Measurements and Classification Using Phantom Images in Comparison with Derived Experimental Law

NASA Astrophysics Data System (ADS)

Abu-Zaid, N. A. M.

2017-11-01

In many circumstances, it is difficult for humans to reach some areas, due to its topography, personal safety, or security regulations in the country. Governments and persons need to calculate those areas and classify the green parts for reclamation to benefit from it.To solve this problem, this research proposes to use a phantom air plane to capture a digital image for the targeted area, then use a segmentation algorithm to separate the green space and calculate it's area. It was necessary to deal with two problems. The first is the variable elevation at which an image was taken, which leads to a change in the physical area of each pixel. To overcome this problem a fourth degree polynomial was fit to some experimental data. The second problem was the existence of different unconnected pieces of green areas in a single image, but we might be interested only in one of them. To solve this problem, the probability of classifying the targeted area as green was increased, while the probability of other untargeted sections was decreased by the inclusion of parts of it as non-green. A practical law was also devised to measure the target area in the digital image for comparison purposes with practical measurements and the polynomial fit.

Photoabsorption of green and red fluorescent protein chromophore anions in vacuo.

PubMed

Wan, Songbo; Liu, Shasha; Zhao, Guangjiu; Chen, Maodu; Han, Keli; Sun, Mengtao

2007-09-01

Photoabsorption properties of green and red fluorescent protein chromophore anions in vacuo were investigated theoretically, based on the experimental results in gas phase [Phys. Rev. Lett. 2001, 87, 228102; Phys. Rev. Lett. 2003, 90, 118103]. Their calculated transition energies in absorption with TD-DFT and ZINDO methods are directly compared to the experimental reports in gas phase, and the calculations with ZINDO method can correctly reproduce the absorption spectra. The orientation and strength of their transition dipole moments were revealed with transition density. We also showed the orientation and result of their intramolecular charge transfer with transition difference density. The calculated results show that with the increase of the extended conjugated system, the orientation of transition dipole moments and the orientation of charge transfer can be reversed. They are the linear responds with the external electric fields. These theoretical results reveal the insight understanding of the photoinduced dynamics of green and red fluorescent protein chromophore anions and cations in vacuo.

Magnetic and optical properties of Zn2+ ion substituted barium hexaferrites

NASA Astrophysics Data System (ADS)

Baykal, A.; Auwal, I. A.; Güner, S.; Sözeri, H.

2017-05-01

Ba1-xZnxFe12O19 (0.0≤x≤0.3) hexaferrites were produced via sol-gel auto combustion technique. XRD patterns show that all the samples are single-phase M-type barium hexaferrite (BaM). Scanning electron microscopy (SEM) revealed that grains have a size range of 0.5-2 μm. The magnetic hysteresis (σ-H) loops revealed the ferromagnetic nature of NPs. The average crystallite sizes were calculated by applying Scherrer equation on the base of XRD powder patterns of all samples and found to be in the range of 16.78-48.34 nm. In particular, Ba1-xZnxFe12O19 (0.0≤x≤0.3) hexaferrites have suitable magnetic characteristics (saturation magnetization in a range of 63.00-67.70 emu/g and coercive field in a range of 822-1275 Oe) for magnetic recording and permanent magnets. Effective crystalline anisotropy constants (Keff) are between 4.20×105 and 4.84×105 Erg/g. Magnetic moment increased by the substitution of non-magnetic Zn2+ ions. The anisotropy field (Ha) or intrinsic coercivity values above 13255 Oe reveals that all samples are magnetically hard materials. Tauc plots were drawn to specify the direct optical energy band gap (Eg) of NPs. The Eg values are in a narrow range between 1.69 eV and 1.76 eV.

Diffusion of phonons through (along and across) the ultrathin crystalline films

NASA Astrophysics Data System (ADS)

Šetrajčić, J. P.; Jaćimovski, S. K.; Vučenović, S. M.

2017-11-01

Instead of usual approach, applying displacement-displacement Green's functions, the momentum-momentum Green's functions will be used to calculate the diffusion tensor. With this type of Green's function we have calculated and analyzed dispersion law in film-structures. A small number of phonon energy levels along the direction of boundary surfaces joint of the film are discrete-ones and in this case standing waves could occur. This is consequence of quantum size effects. These Green's functions enter into Kubo's formula defining diffusion properties of the system and possible heat transfer direction through observed structures. Calculation of the diffusion tensor for phonons in film-structure requires solving of the system of difference equations. Boundary conditions are included into mentioned system through the Hamiltonian of the film-structure. It has been shown that the diagonal elements of the diffusion tensor express discrete behavior of the dispersion law of elementary excitations. More important result is-that they are temperature independent and that their values are much higher comparing with bulk structures. This result favors better heat conduction of the film, but in direction which is perpendicular to boundary film surface. In the same time this significantly favors appearance 2D superconducting surfaces inside the ultra-thin crystal structure, which are parallel to the boundary surface.

CFD Analysis to Calculate the Optimal Air Velocity in Drying Green Tea Process Using Fluidized Bed Dryer

NASA Astrophysics Data System (ADS)

Yohana, Eflita; Nugraha, Afif Prasetya; Diana, Ade Eva; Mahawan, Ilham; Nugroho, Sri

2018-02-01

Tea processing is basically distinguished into three types which black tea, green tea, and oolong tea. Green tea is processed by heating and drying the leaves. Green tea factories in Indonesia are generally using the process of drying by panning the leaves. It is more recommended to use the fluidization process to speed up the drying process as the quality of the tea can be maintained. Bubbling fluidization is expected to occur in this research. It is a process of bubbles are formed in the fluidization. The effectiveness of the drying process in a fluidized bed dryer machine needs to be improved by using a CFD simulation method to proof that umf < u < ut, where the average velocity value is limited by the minimum and the maximum velocity of the calculation the experimental data. The minimum and the maximum velocity value of the fluidization is 0.96 m/s and 8.2 m/s. The result of the simulation obtained that the average velocity of the upper bed part is 1.81 m/s. From the results obtained, it can be concluded that the calculation and the simulation data is in accordance with the condition of bubbling fluidization in fluidized bed dryer.

University of California Conference on Statistical Mechanics (4th) Held March 26-28, 1990

DTIC Science & Technology

1990-03-28

and S. Lago, Chem. Phys., Z, 5750 (1983) Shear Viscosity Calculation via Equilibrium Molecular Dynamics: Einstenian vs. Green - Kubo Formalism by Adel A...through the application of the Green - Kubo approach. Although the theoretical equivalence between both formalisms was demonstrated by Helfand [3], their...like equations and of different expressions based on the Green - Kubo formalism. In contrast to Hoheisel and Vogelsang’s conclusions [2], we find that

A program for calculating photonic band structures, Green's functions and transmission/reflection coefficients using a non-orthogonal FDTD method

NASA Astrophysics Data System (ADS)

Ward, A. J.; Pendry, J. B.

2000-06-01

In this paper we present an updated version of our ONYX program for calculating photonic band structures using a non-orthogonal finite difference time domain method. This new version employs the same transparent formalism as the first version with the same capabilities for calculating photonic band structures or causal Green's functions but also includes extra subroutines for the calculation of transmission and reflection coefficients. Both the electric and magnetic fields are placed onto a discrete lattice by approximating the spacial and temporal derivatives with finite differences. This results in discrete versions of Maxwell's equations which can be used to integrate the fields forwards in time. The time required for a calculation using this method scales linearly with the number of real space points used in the discretization so the technique is ideally suited to handling systems with large and complicated unit cells.

Frequency-domain Green's functions for radar waves in heterogeneous 2.5D media

USGS Publications Warehouse

Ellefsen, K.J.; Croize, D.; Mazzella, A.T.; McKenna, J.R.

2009-01-01

Green's functions for radar waves propagating in heterogeneous 2.5D media might be calculated in the frequency domain using a hybrid method. The model is defined in the Cartesian coordinate system, and its electromagnetic properties might vary in the x- and z-directions, but not in the y-direction. Wave propagation in the x- and z-directions is simulated with the finite-difference method, and wave propagation in the y-direction is simulated with an analytic function. The absorbing boundaries on the finite-difference grid are perfectly matched layers that have been modified to make them compatible with the hybrid method. The accuracy of these numerical Greens functions is assessed by comparing them with independently calculated Green's functions. For a homogeneous model, the magnitude errors range from -4.16% through 0.44%, and the phase errors range from -0.06% through 4.86%. For a layered model, the magnitude errors range from -2.60% through 2.06%, and the phase errors range from -0.49% through 2.73%. These numerical Green's functions might be used for forward modeling and full waveform inversion. ?? 2009 Society of Exploration Geophysicists. All rights reserved.

Integration of Porogen-Based Low-k Films: Influence of Capping Layer Thickness and Long Thermal Anneals on Low-k Damage and Reliability

NASA Astrophysics Data System (ADS)

De Roest, David; Vereecke, Bart; Huffman, Craig; Heylen, Nancy; Croes, Kristof; Arai, Hirofumi; Takamure, Noboru; Beynet, Julien; Sprey, Hessel; Matsushita, Kiyohiro; Kobayashi, Nobuyoshi; Verdonck, Patrick; Demuynck, Steven; Beyer, Gerald; Tokei, Zsolt; Struyf, Herbert

2010-05-01

This paper discusses integration aspects of a porous low-k film (k ˜2.45) cured with a broadband UV lamp. Different process splits are discussed which could contribute to avoid integration induced damage and improve reliability. The main factor contributing to a successful integration is the presence of a thick (protecting) cap layer partially remaining after chemical mechanical polishing (CMP), which leads to yielding structures with a keff of ˜2.6, a breakdown voltage of ˜6.9 MV/cm and time dependent dielectric breakdown (TDDB) lifetimes in the excess of 100 years. Long thermal anneals restore the k-value but degrade lifetime.

Stormwater Calculator (SWC) webinar

EPA Pesticide Factsheets

Jason Berner presents EPA’s National Stormwater Calculator developed to help support local, state and national stormwater management objectives and regulatory efforts to reduce runoff using green infrastructure practices as low impact development controls.

Investigation of the Performance of D 2O-Cooled High-Conversion Reactors for Fuel Cycle Calculations

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

Hiruta, Hikaru; Youinou, Gilles

2013-09-01

This report presents FY13 activities for the analysis of D 2O cooled tight-pitch High-Conversion PWRs (HCPWRs) with U-Pu and Th-U fueled cores aiming at break-even or near breeder conditions while retaining the negative void reactivity. The analyses are carried out from several aspects which could not be covered in FY12 activities. SCALE 6.1 code system is utilized, and a series of simple 3D fuel pin-cell models are developed in order to perform Monte Carlo based criticality and burnup calculations. The performance of U-Pu fueled cores with axial and internal blankets is analyzed in terms of their impact on the relativemore » fissile Pu mass balance, initial Pu enrichment, and void coefficient. In FY12, Pu conversion performances of D 2O-cooled HCPWRs fueled with MOX were evaluated with small sized axial/internal DU blankets (approximately 4cm of axial length) in order to ensure the negative void reactivity, which evidently limits the conversion performance of HCPWRs. In this fiscal year report, the axial sizes of DU blankets are extended up to 30 cm in order to evaluate the amount of DU necessary to reach break-even and/or breeding conditions. Several attempts are made in order to attain the milestone of the HCPWR designs (i.e., break-even condition and negative void reactivity) by modeling of HCPWRs under different conditions such as boiling of D 2O coolant, MOX with different 235U enrichment, and different target burnups. A similar set of analyses are performed for Th-U fueled cores. Several promising characteristics of 233U over other fissile like 239Pu and 235U, most notably its higher fission neutrons per absorption in thermal and epithermal ranges combined with lower ___ in the fast range than 239Pu allows Th-U cores to be taller than MOX ones. Such an advantage results in 4% higher relative fissile mass balance than that of U-Pu fueled cores while retaining the negative void reactivity until the target burnup of 51 GWd/t. Several other distinctions between U-Pu and Th-U fueled cores are identified by evaluating the sensitivity coefficients of keff, mass balance, and void coefficient. The effect of advanced iron alloy cladding (i.e., FeCrAl) on the performance of Pu conversion in MOX fueled cores is studied instead of using standard stainless-steel cladding. Variations in clad thickness and coolant-to-fuel volume ratio are also exercised. The use of FeCrAl instead of SS as a cladding alloy reduces the required Pu enrichment and improves the Pu conversion rate primarily due to the absence of nickel in the cladding alloy that results in the reduction of the neutron absorption. Also the difference in void coefficients between SS and FeCrAl alloys is nearly 500 pcm over the entire burnup range. The report also shows sensitivity and uncertainty analyses in order to characterize D 2O cooled HCPWRs from different aspects. The uncertainties of integral parameters (keff and void coefficient) for selected reactor cores are evaluated at different burnup points in order to find similarities and trends respect to D 2O-HCPWR.« less

The Quality of the Embedding Potential Is Decisive for Minimal Quantum Region Size in Embedding Calculations: The Case of the Green Fluorescent Protein.

PubMed

Nåbo, Lina J; Olsen, Jógvan Magnus Haugaard; Martínez, Todd J; Kongsted, Jacob

2017-12-12

The calculation of spectral properties for photoactive proteins is challenging because of the large cost of electronic structure calculations on large systems. Mixed quantum mechanical (QM) and molecular mechanical (MM) methods are typically employed to make such calculations computationally tractable. This study addresses the connection between the minimal QM region size and the method used to model the MM region in the calculation of absorption properties-here exemplified for calculations on the green fluorescent protein. We find that polarizable embedding is necessary for a qualitatively correct description of the MM region, and that this enables the use of much smaller QM regions compared to fixed charge electrostatic embedding. Furthermore, absorption intensities converge very slowly with system size and inclusion of effective external field effects in the MM region through polarizabilities is therefore very important. Thus, this embedding scheme enables accurate prediction of intensities for systems that are too large to be treated fully quantum mechanically.

The catalytic oxidation of malachite green by the microwave-Fenton processes.

PubMed

Zheng, Huaili; Zhang, Huiqin; Sun, Xiaonan; Zhang, Peng; Tshukudu, Tiroyaone; Zhu, Guocheng

2010-01-01

Catalytic oxidation of malachite green using the microwave-Fenton process was investigated. 0% of malachite green de-colorization using the microwave process and 23.5% of malachite green de-colorization using the Fenton process were observed within 5 minutes. In contrast 95.4% of malachite green de-colorization using the microwave-Fenton was observed in 5 minutes. During the microwave-Fenton process, the optimum operating conditions for malachite green de-colorization were found to be 3.40 of initial pH, 0.08 mmol/L of Fe2+ concentration and 12.5 mmol/L of H2O2 concentration. Confirmatory tests were carried out under the optimum conditions and the COD removal rate of 82.0% and the de-colorization rate of 99.0% were observed in 5 minutes. The apparent kinetics equation of -dC/dt=0.0337 [malachite green]0.9860[Fe2+)]0.8234[H2O2]0.1663 for malachite green de-colorization was calculated, which implied that malachite green was the dominant factor in determining the removal efficiency of malachite green based on microwave-Fenton process.

40 CFR 1033.320 - Calculation and reporting of test results.

Code of Federal Regulations, 2010 CFR

2010-07-01

... applicable non-deterioration adjustments such as a Green Engine Factor or regeneration adjustment factor... following are true: (1) The catalyst was in a green condition when tested initially. (2) The locomotive met... locomotive, including: (A) Configuration and engine family identification. (B) Year, make, and build date. (C...

40 CFR 92.508 - Calculation and reporting of test results.

Code of Federal Regulations, 2010 CFR

2010-07-01

... specified in § 92.506(a). These results must also include the green engine factor, if applicable. The... engine, including: (A) Configuration and engine family identification; (B) Year, make, and build date; (C... accumulated on locomotive or locomotive engine prior to testing; and (E) Description of green engine factor...

The Kinetics and Dynamics of Elementary Gas-Phase Reactions

DTIC Science & Technology

2002-09-01

We report CRDS measurements of thin films of oxazine 1, oxazine 170 and malachite green dyes deposited on borosilicate substrates. The method...measure monolayer and sub-monolayer quantities of dye. The minimum observed concentration of malachite green in the present work was calculated to be...the dyes: at surface coverages of ~ 2.8 × 10-7 mol m-2, the ratio of malachite green dimers to monomers was estimated as Cd/Cm = 0.22. The Kinetics

Preparation and characterization of Tb3+ ions doped zincborophosphate glasses for green emission

NASA Astrophysics Data System (ADS)

Bindu, S. Hima; Raju, D. Siva; Krishna, V. Vinay; Raju, Ch. Linga

2017-06-01

The present study reports the preparation of various concentrations of Tb3+ ions doped zincborophosphate glasses and analysis by XRD, FTIR, optical, emission and decay curve spectras. The effect of borate groups on the phosphate was evidenced by FTIR spectroscopy. The JO intensity parameters was calculated using Judd-Offlet theory. The fluroscence spectra of Tb3+ doped zincborophosphate glasses revealed the efficient blue and green emissions due to 5D3 and 5D4 excited levels to 7Fj ground state respectively. The decay curves exhibits single exponential curves for all the Tb3+ ion concentrations. Various radiative and fluorescence parameters are calculated using JO intensity parameters. Based on the results obtained in the present study, the Tb3+ ions doped zincborophosphate glasses behaves as a efficient laser active materials for highintensity emissions in the green region.

Effects of Distant Green Space on Physical Activity in Sydney, Australia.

PubMed

Chong, Shanley; Byun, Roy; Mazumdar, Soumya; Bauman, Adrian; Jalaludin, Bin

2017-01-01

The aim was to investigate the association between distant green space and physical activity modified by local green space. Information about physical activity, demographic and socioeconomic background at the individual level was extracted from the New South Wales Population Health Survey. The proportion of a postcode that was parkland was used as a proxy measure for access to parklands and was calculated for each individual. There was a significant relationship between distant green space and engaging in moderate-to-vigorous physical activity (MVPA) at least once a week. No significant relationship was found between adequate physical activity and distant green space. No significant relationships were found between adequate physical activity, engaging in MVPA, and local green space. However, if respondents lived in greater local green space (≥25%), there was a significant relationship between engaging in MVPA at least once a week and distance green space of ≥20%. This study highlights the important effect of distant green space on physical activity. Our findings also suggest that moderate size of local green space together with moderate size of distant green space are important levers for participation of physical activity.

A full-potential approach to the relativistic single-site Green's function

DOE PAGES

Liu, Xianglin; Wang, Yang; Eisenbach, Markus; ...

2016-07-07

One major purpose of studying the single-site scattering problem is to obtain the scattering matrices and differential equation solutions indispensable to multiple scattering theory (MST) calculations. On the other hand, the single-site scattering itself is also appealing because it reveals the physical environment experienced by electrons around the scattering center. In this study, we demonstrate a new formalism to calculate the relativistic full-potential single-site Green's function. We implement this method to calculate the single-site density of states and electron charge densities. Lastly, the code is rigorously tested and with the help of Krein's theorem, the relativistic effects and full potentialmore » effects in group V elements and noble metals are thoroughly investigated.« less

Self-consistent calculations for the electronic structure of a vacancy in copper. A solution of the embedding problem

NASA Astrophysics Data System (ADS)

Zeller, R.; Braspenning, P. J.

1982-06-01

The charge density and the local density of states for a vacancy in Cu and for the first shell of Cu neighbours are calculated by the KKR-Green's function technique. The muffin-tin potentials for the vacancy and the neighbour shell atoms are determined self-consistently in the local density approximation of density functional theory. By the use of the proper host Green's function the embedding of this cluster of 13 perturbed muffin-tins into the infinite array of bulk Cu muffin-tin potentials is described rigorously, thus representing a solution of the embedding problem. The calculations demonstrate a rather large charge transfer of 1.1 electrons from the first neighbour shell to the vacancy.

Rapid calculation of acoustic fields from arbitrary continuous-wave sources.

PubMed

Treeby, Bradley E; Budisky, Jakub; Wise, Elliott S; Jaros, Jiri; Cox, B T

2018-01-01

A Green's function solution is derived for calculating the acoustic field generated by phased array transducers of arbitrary shape when driven by a single frequency continuous wave excitation with spatially varying amplitude and phase. The solution is based on the Green's function for the homogeneous wave equation expressed in the spatial frequency domain or k-space. The temporal convolution integral is solved analytically, and the remaining integrals are expressed in the form of the spatial Fourier transform. This allows the acoustic pressure for all spatial positions to be calculated in a single step using two fast Fourier transforms. The model is demonstrated through several numerical examples, including single element rectangular and spherically focused bowl transducers, and multi-element linear and hemispherical arrays.

Location of the Green Canyon (Offshore Southern Louisiana) Seismic Event of February 10, 2006

USGS Publications Warehouse

Dewey, James W.; Dellinger, Joseph A.

2008-01-01

We calculated an epicenter for the Offshore Southern Louisiana seismic event of February 10, 2006 (the 'Green Canyon event') that was adopted as the preferred epicenter for the event by the USGS/NEIC. The event is held at a focal depth of 5 km; the focal depth could not be reliably calculated but was most likely between 1 km and 15 km beneath sea level. The epicenter was calculated with a radially symmetric global Earth model similar to that routinely used at the USGS/NEIC for all earthquakes worldwide. The location was calculated using P-waves recorded by seismographic stations from which the USGS/NEIC routinely obtains seismological data, plus data from two seismic exploration arrays, the Atlantis ocean-bottom node array, operated by BP in partnership with BHP Billiton Limited, and the CGG Green Canyon phase VIII multi-client towed-streamer survey. The preferred epicenter is approximately 26 km north of an epicenter earlier published by the USGS/NEIC, which was obtained without benefit of the seismic exploration arrays. We estimate that the preferred epicenter is accurate to within 15 km. We selected the preferred epicenter from a suite of trial calculations that attempted to fit arrival times of seismic energy associated with the Green Canyon event and that explored the effect of errors in the velocity model used to calculate the preferred epicenter. The various trials were helpful in confirming the approximate correctness of the preferred epicenter and in assessing the accuracy of the preferred epicenter, but none of the trial calculations, including that of the preferred epicenter, was able to reconcile arrival-time observations and assumed velocity model as well as is typical for the vast majority of earthquakes in and near the continental United States. We believe that remaining misfits between the preferred solution and the observations reflect errors in interpreted arrival times of emergent seismic phases that are due partly to a temporally extended source-time function and partly to failure of our travel-time model to account for the extremely complicated velocity structure of the sedimentary section in which the event occurred.

40 CFR 94.508 - Calculation and reporting of test results.

Code of Federal Regulations, 2010 CFR

2010-07-01

... must also include the Green Engine Factor, if applicable. Round these results to the number of decimal... engine, including: (A) Configuration and engine family identification; (B) Year, make, and build date; (C... (E) Description of Green Engine Factor; how it is determined and how it is applied; (ii) Location(s...

Monitoring vegetation greenness with satellite data

Treesearch

Robert E. Burgan; Roberta A. Hartford

1993-01-01

Vegetation greenness can be monitored at 1-km resolution for the conterminous United States through data obtained from the Advanced Very High Resolution Radiometer on the NOAA-11 weather satellites. The data are used to calculate biweekly composites of the Normalized Difference Vegetation Index. The resulting composite images are updated weekly and made available to...

Dynamics of active sites in biological macromolecules using a Green-function approach: An application to heme vibrational dynamics in myoglobin

NASA Astrophysics Data System (ADS)

Rai, Brajesh; Prohofsky, Earl

2003-03-01

Dynamics of functionally active regions of biological macromolecules can be studied using a Green-function technique. This approach uses the fact that in most cases one has a good set of force constants for active sites, and rather poorly defined force field parameters for other regions of the macromolecule. The Green-function method is applied to study the iron vibrational modes of the heme active site in myoglobin. In this approach, the heme active site is viewed as a system interacting with surrounding globin, which acts as an excitation bath. The normal modes of heme and globin are separately calculated using the best available force fields for the two entities. The iron vibrational spectrum of myoglobin is then obtained using the solutions of the heme and globin, and by considering physically meaningful interactions between the two units. The refinement of the Green-function calculations to the experimental data from an x-ray synchrotron-based Nuclear Resonance Vibrational Spectroscopy provides important insights into the character of iron normal modes of myoglobin.

Dissipation rate study and pre-harvest intervals calculation of imidacloprid and oxamyl in exported Egyptian green beans and chili peppers after pestigation treatment.

PubMed

Hanafi, Ahmad; Dasenaki, Marilena; Bletsou, Anna; Thomaidis, Nikolaos S

2018-02-01

Two QuEChERS-based methods were developed and validated, using liquid chromatography-tandem mass spectrometric detection, in order to accurately determine residues of imidacloprid and oxamyl in green beans and chili peppers after treatment via irrigation system under field conditions in Egyptian farms. The validation included experiments for specificity, linearity, trueness, precision, matrix effect and limits of detection and quantification according to European Commission standards. The dissipation rates of both pesticides in green beans and chili peppers were studied and the pre-harvest intervals (PHIs) were calculated. The LOQ values of imidacloprid were 0.47 and 2.6μg/kg in green beans and chili peppers, respectively, while for oxamyl the LOQs were 2.9 and 0.67μg/kg, respectively. No PHI of imidacloprid is required, while for oxamyl it was found that still after 21days, its residues' concentration on both crops was significantly higher than the maximum residue limit. Copyright © 2017 Elsevier Ltd. All rights reserved.

The acoustic Green's function for swirling flow with variable entropy in a lined duct

NASA Astrophysics Data System (ADS)

Mathews, J. R.; Peake, N.

2018-04-01

This paper extends previous work by the authors (Journal of Sound and Vibration, 395:294-316,2017) on the acoustic field inside an annular duct with acoustic lining carrying mean axial and swirling flow so as to allow for non-uniform mean entropy, as would be found for instance in the turbine stage of an aeroengine. The main aim of this paper is to understand the effect of a non-uniform entropy on both the eigenmodes of the flow and the Green's function, which will allow noise prediction once we have identified acoustic sources. We first derive a new acoustic analogy in isentropic swirling flow, which allows us to derive the equation the tailored Green's function satisfies. The eigenmodes are split into two distinct families, acoustic and hydrodynamic modes, and are computed using different analytical methods; in the limit of high reduced frequency using the WKB method for the acoustic modes; and by considering a Frobenius expansion for the hydrodynamic modes. These are then compared with numerical results, with excellent agreement for all eigenmodes. The Green's function is also calculating analytically using the realistic limit of high reduced frequency, again with excellent agreement compared to numerical calculations. We see that for both the eigenmodes and Green's function the effect of non-uniform mean entropy is significant.

Fine-scale habitat preference of green sturgeon (Acipenser medirostris) within three spawning locations in the Sacramento River, California

USGS Publications Warehouse

Wyman, Megan T.; Thomas, Michael J.; McDonald, Richard R.; Hearn, Alexander R.; Battleson, Ryan D.; Chapman, Eric D.; Kinzel, Paul J.; Minear, J. Tobey; Mora, Ethan A.; Nelson, Jonathan M.; Pagel, Matthew D.; Klimley, A. Peter

2018-01-01

Vast sections of the Sacramento River have been listed as critical habitat by the National Marine Fisheries Service for green sturgeon spawning (Acipenser medirostris), yet spawning is known to occur at only a few specific locations. This study reveals the range of physical habitat variables selected by adult green sturgeon during their spawning period. We integrated fine-scale fish positions, physical habitat characteristics, discharge, bathymetry, and simulated velocity and depth using a 2-dimensional hydraulic model (FaSTMECH). The objective was to create habitat suitability curves for depth, velocity, and substrate type within three known spawning locations over two years. An overall cumulative habitat suitability score was calculated that averaged the depth, velocity, and substrate scores over all fish, sites, and years. A weighted usable area (WUA) index was calculated throughout the sampling periods for each of the three sites. Cumulative results indicate that the microhabitat characteristics most preferred by green sturgeon in these three spawning locations were velocities between 1.0-1.1 m/s, depths of 8-9 m, and gravel and sand substrate. This study provides guidance for those who may in the future want to increase spawning habitat for green sturgeon within the Sacramento River.

Combining Density Functional Theory and Green's Function Theory: Range-Separated, Nonlocal, Dynamic, and Orbital-Dependent Hybrid Functional.

PubMed

Kananenka, Alexei A; Zgid, Dominika

2017-11-14

We present a rigorous framework which combines single-particle Green's function theory with density functional theory based on a separation of electron-electron interactions into short- and long-range components. Short-range contribution to the total energy and exchange-correlation potential is provided by a density functional approximation, while the long-range contribution is calculated using an explicit many-body Green's function method. Such a hybrid results in a nonlocal, dynamic, and orbital-dependent exchange-correlation functional of a single-particle Green's function. In particular, we present a range-separated hybrid functional called srSVWN5-lrGF2 which combines the local-density approximation and the second-order Green's function theory. We illustrate that similarly to density functional approximations, the new functional is weakly basis-set dependent. Furthermore, it offers an improved description of the short-range dynamic correlation. The many-body contribution to the functional mitigates the many-electron self-interaction error present in many density functional approximations and provides a better description of molecular properties. Additionally, we illustrate that the new functional can be used to scale down the self-energy and, therefore, introduce an additional sparsity to the self-energy matrix that in the future can be exploited in calculations for large molecules or periodic systems.

Amplitude-phase characteristics of electromagnetic fields diffracted by a hole in a thin film with realistic optical properties

NASA Astrophysics Data System (ADS)

Dorofeyev, Illarion

2009-03-01

Characteristics of a quasi-spherical wave front of an electromagnetic field diffracted by a subwavelength hole in a thin film with real optical properties are studied. Related diffraction problem is solved in general by use of the scalar and vector Green's theorems and related Green's function of a boundary-value problem. Local phase deviations of a diffracted wave front from an ideal spherical front are calculated. Diffracted patterns are calculated for the coherent incident fields in case of holes array in a screen of perfect conductivity.

Scattering of targets over layered half space using a semi-analytic method in conjunction with FDTD algorithm.

PubMed

Cao, Le; Wei, Bing

2014-08-25

Finite-difference time-domain (FDTD) algorithm with a new method of plane wave excitation is used to investigate the RCS (Radar Cross Section) characteristics of targets over layered half space. Compare with the traditional excitation plane wave method, the calculation memory and time requirement is greatly decreased. The FDTD calculation is performed with a plane wave incidence, and the RCS of far field is obtained by extrapolating the currently calculated data on the output boundary. However, methods available for extrapolating have to evaluate the half space Green function. In this paper, a new method which avoids using the complex and time-consuming half space Green function is proposed. Numerical results show that this method is in good agreement with classic algorithm and it can be used in the fast calculation of scattering and radiation of targets over layered half space.

Soak Up the Rain New England Webinar Series: National ...

EPA Pesticide Factsheets

Presenters will provide an introduction to the most recent EPA green infrastructure tools to R1 stakeholders; and their use in making decisions about implementing green infrastructure. We will discuss structuring your green infrastructure decision, finding appropriate information and tools, evaluating options and selecting the right Best Management Practices mix for your needs.WMOST (Watershed Management Optimization Support Tool)- for screening a wide range of practices for cost-effectiveness in achieving watershed or water utilities management goals.GIWiz (Green Infrastructure Wizard)- a web application connecting communities to EPA Green Infrastructure tools and resources.Opti-Tool-designed to assist in developing technically sound and optimized cost-effective Stormwater management plans. National Stormwater Calculator- a desktop application for estimating the impact of land cover change and green infrastructure controls on stormwater runoff. DASEES-GI (Decision Analysis for a Sustainable Environment, Economy, and Society) – a framework for linking objectives and measures with green infrastructure methods. Presenters will provide an introduction to the most recent EPA green infrastructure tools to R1 stakeholders; and their use in making decisions about implementing green infrastructure. We will discuss structuring your green infrastructure decision, finding appropriate information and tools, evaluating options and selecting the right Best Management Pr

Self-force calculations with matched expansions and quasinormal mode sums

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

Casals, Marc; Dolan, Sam; Ottewill, Adrian C.

2009-06-15

Accurate modeling of gravitational wave emission by extreme-mass ratio inspirals is essential for their detection by the LISA mission. A leading perturbative approach involves the calculation of the self-force acting upon the smaller orbital body. In this work, we present the first application of the Poisson-Wiseman-Anderson method of 'matched expansions' to compute the self-force acting on a point particle moving in a curved spacetime. The method employs two expansions for the Green function, which are, respectively, valid in the 'quasilocal' and 'distant past' regimes, and which may be matched together within the normal neighborhood. We perform our calculation in amore » static region of the spherically symmetric Nariai spacetime (dS{sub 2}xS{sup 2}), in which scalar-field perturbations are governed by a radial equation with a Poeschl-Teller potential (frequently used as an approximation to the Schwarzschild radial potential) whose solutions are known in closed form. The key new ingredients in our study are (i) very high order quasilocal expansions and (ii) expansion of the distant past Green function in quasinormal modes. In combination, these tools enable a detailed study of the properties of the scalar-field Green function. We demonstrate that the Green function is singular whenever x and x{sup '} are connected by a null geodesic, and apply asymptotic methods to determine the structure of the Green function near the null wave front. We show that the singular part of the Green function undergoes a transition each time the null wave front passes through a caustic point, following a repeating fourfold sequence {delta}({sigma}), 1/{pi}{sigma}, -{delta}({sigma}), -1/{pi}{sigma}, etc., where {sigma} is Synge's world function. The matched-expansion method provides insight into the nonlocal properties of the self-force. We show that the self-force generated by the segment of the worldline lying outside the normal neighborhood is not negligible. We apply the matched-expansion method to compute the scalar self-force acting on a static particle on the Nariai spacetime, and validate against an alternative method, obtaining agreement to six decimal places. We conclude with a discussion of the implications for wave propagation and self-force calculations. On black hole spacetimes, any expansion of the Green function in quasinormal modes must be augmented by a branch-cut integral. Nevertheless, we expect the Green function in Schwarzschild spacetime to inherit certain key features, such as a fourfold singular structure manifesting itself through the asymptotic behavior of quasinormal modes. In this way, the Nariai spacetime provides a fertile testing ground for developing insight into the nonlocal part of the self-force on black hole spacetimes.« less

Finite-frequency structural sensitivities of short-period compressional body waves

NASA Astrophysics Data System (ADS)

Fuji, Nobuaki; Chevrot, Sébastien; Zhao, Li; Geller, Robert J.; Kawai, Kenji

2012-07-01

We present an extension of the method recently introduced by Zhao & Chevrot for calculating Fréchet kernels from a precomputed database of strain Green's tensors by normal mode summation. The extension involves two aspects: (1) we compute the strain Green's tensors using the Direct Solution Method, which allows us to go up to frequencies as high as 1 Hz; and (2) we develop a spatial interpolation scheme so that the Green's tensors can be computed with a relatively coarse grid, thus improving the efficiency in the computation of the sensitivity kernels. The only requirement is that the Green's tensors be computed with a fine enough spatial sampling rate to avoid spatial aliasing. The Green's tensors can then be interpolated to any location inside the Earth, avoiding the need to store and retrieve strain Green's tensors for a fine sampling grid. The interpolation scheme not only significantly reduces the CPU time required to calculate the Green's tensor database and the disk space to store it, but also enhances the efficiency in computing the kernels by reducing the number of I/O operations needed to retrieve the Green's tensors. Our new implementation allows us to calculate sensitivity kernels for high-frequency teleseismic body waves with very modest computational resources such as a laptop. We illustrate the potential of our approach for seismic tomography by computing traveltime and amplitude sensitivity kernels for high frequency P, PKP and Pdiff phases. A comparison of our PKP kernels with those computed by asymptotic ray theory clearly shows the limits of the latter. With ray theory, it is not possible to model waves diffracted by internal discontinuities such as the core-mantle boundary, and it is also difficult to compute amplitudes for paths close to the B-caustic of the PKP phase. We also compute waveform partial derivatives for different parts of the seismic wavefield, a key ingredient for high resolution imaging by waveform inversion. Our computations of partial derivatives in the time window where PcP precursors are commonly observed show that the distribution of sensitivity is complex and counter-intuitive, with a large contribution from the mid-mantle region. This clearly emphasizes the need to use accurate and complete partial derivatives in waveform inversion.

Accurate image-charge method by the use of the residue theorem for core-shell dielectric sphere

NASA Astrophysics Data System (ADS)

Fu, Jing; Xu, Zhenli

2018-02-01

An accurate image-charge method (ICM) is developed for ionic interactions outside a core-shell structured dielectric sphere. Core-shell particles have wide applications for which the theoretical investigation requires efficient methods for the Green's function used to calculate pairwise interactions of ions. The ICM is based on an inverse Mellin transform from the coefficients of spherical harmonic series of the Green's function such that the polarization charge due to dielectric boundaries is represented by a series of image point charges and an image line charge. The residue theorem is used to accurately calculate the density of the line charge. Numerical results show that the ICM is promising in fast evaluation of the Green's function, and thus it is useful for theoretical investigations of core-shell particles. This routine can also be applicable for solving other problems with spherical dielectric interfaces such as multilayered media and Debye-Hückel equations.

Design Principles for Covalent Organic Frameworks as Efficient Electrocatalysts in Clean Energy Conversion and Green Oxidizer Production.

PubMed

Lin, Chun-Yu; Zhang, Lipeng; Zhao, Zhenghang; Xia, Zhenhai

2017-05-01

Covalent organic frameworks (COFs), an emerging class of framework materials linked by covalent bonds, hold potential for various applications such as efficient electrocatalysts, photovoltaics, and sensors. To rationally design COF-based electrocatalysts for oxygen reduction and evolution reactions in fuel cells and metal-air batteries, activity descriptors, derived from orbital energy and bonding structures, are identified with the first-principle calculations for the COFs, which correlate COF structures with their catalytic activities. The calculations also predict that alkaline-earth metal-porphyrin COFs could catalyze the direct production of H 2 O 2 , a green oxidizer and an energy carrier. These predictions are supported by experimental data, and the design principles derived from the descriptors provide an approach for rational design of new electrocatalysts for both clean energy conversion and green oxidizer production. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Using atomic layer deposited tungsten to increase thermal conductivity of a packed bed

DOE PAGES

Van Norman, Staci A.; Tringe, Joseph W.; Sain, John D.; ...

2015-04-13

This paper investigated the effective thermal conductivity (k eff) of packed-beds that contained porous particles with nanoscale tungsten (W) films of different thicknesses formed by atomic layer deposition (ALD). A continuous film on the particles is vital towards increasing k eff of the packed beds. For example, the keff of an alumina packed bed was increased by three times after an ~8-nm continuous W film with 20 cycles of W ALD, whereas k eff was decreased on a polymer packed bed with discontinuous, evenly dispersed W-islands due to nanoparticle scattering of phonons. For catalysts, understanding the thermal properties of thesemore » packed beds is essential for developing thermally conductive supports as alternatives to structured supports.« less

Multi-Hierarchical Gray Correlation Analysis Applied in the Selection of Green Building Design Scheme

NASA Astrophysics Data System (ADS)

Wang, Li; Li, Chuanghong

2018-02-01

As a sustainable form of ecological structure, green building is widespread concerned and advocated in society increasingly nowadays. In the survey and design phase of preliminary project construction, carrying out the evaluation and selection of green building design scheme, which is in accordance with the scientific and reasonable evaluation index system, can improve the ecological benefits of green building projects largely and effectively. Based on the new Green Building Evaluation Standard which came into effect on January 1, 2015, the evaluation index system of green building design scheme is constructed taking into account the evaluation contents related to the green building design scheme. We organized experts who are experienced in construction scheme optimization to mark and determine the weight of each evaluation index through the AHP method. The correlation degree was calculated between each evaluation scheme and ideal scheme by using multilevel gray relational analysis model and then the optimal scheme was determined. The feasibility and practicability of the evaluation method are verified by introducing examples.

A study of the interaction between malachite green and lysozyme by steady-state fluorescence.

PubMed

Ding, Fei; Liu, Wei; Liu, Feng; Li, Zhi-Yuan; Sun, Ying

2009-09-01

The interaction of a N-methylated diaminotriphenylmethane dye, malachite green, with lysozyme was investigated by fluorescence spectroscopic techniques under physiological conditions. The binding parameters have been evaluated by fluorescence quenching methods. The results revealed that malachite green caused the fluorescence quenching of lysozyme through a static quenching procedure. The thermodynamic parameters like DeltaH and DeltaS were calculated to be -15.33 kJ mol(-1) and 19.47 J mol(-1) K(-1) according to van't Hoff equation, respectively, which proves main interaction between malachite green and lysozyme is hydrophobic forces and hydrogen bond contact. The distance r between donor (lysozyme) and acceptor (malachite green) was obtained to be 3.82 nm according to Frster's theory. The results of synchronous fluorescence, UV/vis and three-dimensional fluorescence spectra showed that binding of malachite green with lysozyme can induce conformational changes in lysozyme. In addition, the effects of common ions on the constants of lysozyme-malachite green complex were also discussed.

Green function of the double-fractional Fokker-Planck equation: path integral and stochastic differential equations.

PubMed

Kleinert, H; Zatloukal, V

2013-11-01

The statistics of rare events, the so-called black-swan events, is governed by non-Gaussian distributions with heavy power-like tails. We calculate the Green functions of the associated Fokker-Planck equations and solve the related stochastic differential equations. We also discuss the subject in the framework of path integration.

Numerical Green's functions in optical potential calculations for positron scattering from argon and neon

NASA Technical Reports Server (NTRS)

Bartschat, K.; Mceachran, R. P.; Stauffer, A. D.

1990-01-01

An optical potential method was applied to the calculation of positron scattering from the noble gases in order to determine the effect of open excitation channels on the shape of differential scattering cross sections.

National Stormwater Calculator: Low Impact Development Stormwater Control Cost Estimation

EPA Science Inventory

Stormwater discharges continue to cause impairment of our Nation’s waterbodies. EPA has developed the National Stormwater Calculator (SWC) to help support local, state, and national stormwater management objectives to reduce runoff through infiltration and retention using green i...

Diffraction of stochastic electromagnetic fields by a hole in a thin film with real optical properties

NASA Astrophysics Data System (ADS)

Dorofeyev, Illarion

2008-08-01

The classical Kirchhoff theory of diffraction is extended to the case of real optical properties of a screen and its finite thickness. A spectral power density of diffracted electromagnetic fields by a hole in a thin film with real optical properties was calculated. The problem was solved by use of the vector Green theorems and related Green function of the boundary value problem. A spectral and spatial selectivity of the considered system was demonstrated. Diffracted patterns were calculated for the coherent and incoherent incident fields in case of holes array in a screen of perfect conductivity.

Full counting statistics of conductance for disordered systems

NASA Astrophysics Data System (ADS)

Fu, Bin; Zhang, Lei; Wei, Yadong; Wang, Jian

2017-09-01

Quantum transport is a stochastic process in nature. As a result, the conductance is fully characterized by its average value and fluctuations, i.e., characterized by full counting statistics (FCS). Since disorders are inevitable in nanoelectronic devices, it is important to understand how FCS behaves in disordered systems. The traditional approach dealing with fluctuations or cumulants of conductance uses diagrammatic perturbation expansion of the Green's function within coherent potential approximation (CPA), which is extremely complicated especially for high order cumulants. In this paper, we develop a theoretical formalism based on nonequilibrium Green's function by directly taking the disorder average on the generating function of FCS of conductance within CPA. This is done by mapping the problem into higher dimensions so that the functional dependence of generating a function on the Green's function becomes linear and the diagrammatic perturbation expansion is not needed anymore. Our theory is very simple and allows us to calculate cumulants of conductance at any desired order efficiently. As an application of our theory, we calculate the cumulants of conductance up to fifth order for disordered systems in the presence of Anderson and binary disorders. Our numerical results of cumulants of conductance show remarkable agreement with that obtained by the brute force calculation.

Dynamic Tsunami Data Assimilation (DTDA) Based on Green's Function: Theory and Application

NASA Astrophysics Data System (ADS)

Wang, Y.; Satake, K.; Gusman, A. R.; Maeda, T.

2017-12-01

Tsunami data assimilation estimates the tsunami arrival time and height at Points of Interest (PoIs) by assimilating tsunami data observed offshore into a numerical simulation, without the need of calculating initial sea surface height at the source (Maeda et al., 2015). The previous tsunami data assimilation has two main problems: one is that it requires quite large calculating time because the tsunami wavefield of the whole interested region is computed continuously; another is that it relies on dense observation network such as Dense Oceanfloor Network system for Earthquakes and Tsunamis (DONET) in Japan or Cascadia Initiative (CI) in North America (Gusman et al., 2016), which is not practical for some area. Here we propose a new approach based on Green's function to speed up the tsunami data assimilation process and to solve the problem of sparse observation: Dynamic Tsunami Data Assimilation (DTDA). If the residual between the observed and calculated tsunami height is not zero, there will be an assimilation response around the station, usually a Gaussian-distributed sea surface displacement. The Green's function Gi,j is defined as the tsunami waveform at j-th grid caused by the propagation of assimilation response at i-th station. Hence, the forecasted waveforms at PoIs are calculated as the superposition of the Green's functions. In case of sparse observation, we could use the aircraft and satellite observations. The previous assimilation approach is not practical because it costs much time to assimilate moving observation, and to compute the tsunami wavefield of the interested region. In contrast, DTDA synthesizes the waveforms quickly as long as the Green's functions are calculated in advance. We apply our method to a hypothetic earthquake off the west coast of Sumatra Island similar to the 2004 Indian Ocean earthquake. Currently there is no dense observation network in that area, making it difficult for the previous assimilation approach. We used DTDA with aircraft and satellite observation above the Indian Ocean, to forecast the tsunami in Sri Lanka, India and Thailand. It shows that DTDA provides reliable tsunami forecasting for these countries, and the tsunami early warning can be issued half an hour before the tsunami arrives to reduce the damage along the coast.

Step-by-Step Simulation of Radiation Chemistry Using Green Functions for Diffusion-Influenced Reactions

NASA Technical Reports Server (NTRS)

Plante, Ianik; Cucinotta, Francis A.

2011-01-01

Radiolytic species are formed approximately 1 ps after the passage of ionizing radiation through matter. After their formation, they diffuse and chemically react with other radiolytic species and neighboring biological molecules, leading to various oxidative damage. Therefore, the simulation of radiation chemistry is of considerable importance to understand how radiolytic species damage biological molecules [1]. The step-by-step simulation of chemical reactions is difficult, because the radiolytic species are distributed non-homogeneously in the medium. Consequently, computational approaches based on Green functions for diffusion-influenced reactions should be used [2]. Recently, Green functions for more complex type of reactions have been published [3-4]. We have developed exact random variate generators of these Green functions [5], which will allow us to use them in radiation chemistry codes. Moreover, simulating chemistry using the Green functions is which is computationally very demanding, because the probabilities of reactions between each pair of particles should be evaluated at each timestep [2]. This kind of problem is well adapted for General Purpose Graphic Processing Units (GPGPU), which can handle a large number of similar calculations simultaneously. These new developments will allow us to include more complex reactions in chemistry codes, and to improve the calculation time. This code should be of importance to link radiation track structure simulations and DNA damage models.

Quantitative surface temperature measurement using two-color thermographic phosphors and video equipment

NASA Technical Reports Server (NTRS)

Buck, Gregory M. (Inventor)

1989-01-01

A thermal imaging system provides quantitative temperature information and is particularly useful in hypersonic wind tunnel applications. An object to be measured is prepared by coating with a two-color, ultraviolet-activated, thermographic phosphor. The colors emitted by the phosphor are detected by a conventional color video camera. A phosphor emitting blue and green light with a ratio that varies depending on temperature is used so that the intensity of light in the blue and green wavelengths detected by the blue and green tubes in the video camera can be compared. Signals representing the intensity of blue and green light at points on the surface of a model in a hypersonic wind tunnel are used to calculate a ratio of blue to green light intensity which provides quantitative temperature information for the surface of the model.

Lifecycle Cost Analysis of Green Infrastructure. U.S. EPA National Stormwater Calculator: Low Impact Development Stormwater Control Cost Estimation Module & Future Enhancements

EPA Science Inventory

This presentation will cover the new cost estimation module of the US EPA National Stormwater Calculator and future enhancements, including a new mobile web app version of the tool. The presentation mainly focuses on how the calculator may be used to provide planning level capita...

Calculating the green in green: What's an urban tree worth?

Treesearch

Gail Wells; Geoffrey Donovan

2010-01-01

For urban dwellers, trees soften a city’s hard edges and surfaces, shade homes and streets, enhance neighborhood beauty, filter the air, mitigate storm runoff, and absorb carbon dioxide. Trees may even reduce crime and improve human health. However, these benefits have not been well quantified, making it difficult for urban planners and property owners to weigh their...

Green's functions for dislocations in bonded strips and related crack problems

NASA Technical Reports Server (NTRS)

Ballarini, R.; Luo, H. A.

1990-01-01

Green's functions are derived for the plane elastostatics problem of a dislocation in a bimaterial strip. Using these fundamental solutions as kernels, various problems involving cracks in a bimaterial strip are analyzed using singular integral equations. For each problem considered, stress intensity factors are calculated for several combinations of the parameters which describe loading, geometry and material mismatch.

A study on the relationship between carbon budget and ecosystem service in urban areas according to urbanization

NASA Astrophysics Data System (ADS)

Lee, S. J.; Lee, W. K.

2017-12-01

The study on the analysis of carbon storage capacity of urban green spaces with increasing urban forest. Modern cities have experienced rapid economic development since Industrial Revolution in the 18th century. The rapid economic growth caused an exponential concentration of population to the cities and decrease of green spaces due to the conversion of forest and agricultural lands to build-up areas with rapid urbanization. As green areas including forests, grasslands, and wetlands provide diverse economic, environmental, and cultural benefits, the decrease of green areas might be a huge loss. Also, the process of urbanization caused pressure on the urban environment more than its natural capacity, which accelerates global climate change. This study tries to see the relations between carbon budget and ecosystem services according to the urbanization. For calculating carbon dynamics, this study used VISIT(Vegetation Integrated Simulator for trace gases) model. And the value that ecosystem provides is explained with the concept of ecosystem service and calculated by InVEST model. Study sites are urban and peri-urban areas in Northeast Asia. From the result of the study, the effect of the urbanization can be understood in regard to carbon storage and ecosystem services.

Efficient Approaches for Evaluating the Planar Microstrip Green's Function and its Applications to the Analysis of Microstrip Antennas.

NASA Astrophysics Data System (ADS)

Barkeshli, Sina

A relatively simple and efficient closed form asymptotic representation of the microstrip dyadic surface Green's function is developed. The large parameter in this asymptotic development is proportional to the lateral separation between the source and field points along the planar microstrip configuration. Surprisingly, this asymptotic solution remains accurate even for very small (almost two tenths of a wavelength) lateral separation of the source and field points. The present asymptotic Green's function will thus allow a very efficient calculation of the currents excited on microstrip antenna patches/feed lines and monolithic millimeter and microwave integrated circuit (MIMIC) elements based on a moment method (MM) solution of an integral equation for these currents. The kernal of the latter integral equation is the present asymptotic form of the microstrip Green's function. It is noted that the conventional Sommerfeld integral representation of the microstrip surface Green's function is very poorly convergent when used in this MM formulation. In addition, an efficient exact steepest descent path integral form employing a radially propagating representation of the microstrip dyadic Green's function is also derived which exhibits a relatively faster convergence when compared to the conventional Sommerfeld integral representation. The same steepest descent form could also be obtained by deforming the integration contour of the conventional Sommerfeld representation; however, the radially propagating integral representation exhibits better convergence properties for laterally separated source and field points even before the steepest descent path of integration is used. Numerical results based on the efficient closed form asymptotic solution for the microstrip surface Green's function developed in this work are presented for the mutual coupling between a pair of dipoles on a single layer grounded dielectric slab. The accuracy of the latter calculations is confirmed by comparison with results based on an exact integral representation for that Green's function.

CCKT Calculation of e-H Total Cross Sections

NASA Technical Reports Server (NTRS)

Bhatia, Aaron K.; Schneider, B. I.; Temkin, A.; Fisher, Richard R. (Technical Monitor)

2002-01-01

We are in the process of carrying out calculations of e-H total cross sections using the 'complex-correlation Kohn-T' (CCKT) method. In a later paper, we described the methodology more completely, but confined calculations to the elastic scattering region, with definitive, precision results for S-wave phase shifts. Here we extend the calculations to the (low) continuum (1 much less than k(exp 2) much less than 3) using a Green's function formulation. This avoids having to solve integro-differential equations; rather we evaluate indefinite integrals involving appropriate Green's functions and the (complex) optical potential to find the scattering function u(r). From the asymptotic form of u(r) we extract a T(sub L) which is a complex number. From T(sub L), elastic sigma(sub L)(elastic) = 4pi(2L+1)((absolute value of T(sub L))(exp 2)), and total sigma (sub L)(total) = 4pi/k(2L+1)Im(T(sub L)) cross sections follow.

Dual number algebra method for Green's function derivatives in 3D magneto-electro-elasticity

NASA Astrophysics Data System (ADS)

Dziatkiewicz, Grzegorz

2018-01-01

The Green functions are the basic elements of the boundary element method. To obtain the boundary integral formulation the Green function and its derivative should be known for the considered differential operator. Today the interesting group of materials are electronic composites. The special case of the electronic composite is the magnetoelectroelastic continuum. The mentioned continuum is a model of the piezoelectric-piezomagnetic composites. The anisotropy of their physical properties makes the problem of Green's function determination very difficult. For that reason Green's functions for the magnetoelectroelastic continuum are not known in the closed form and numerical methods should be applied to determine such Green's functions. These means that the problem of the accurate and simply determination of Green's function derivatives is even harder. Therefore in the present work the dual number algebra method is applied to calculate numerically the derivatives of 3D Green's functions for the magnetoelectroelastic materials. The introduced method is independent on the step size and it can be treated as a special case of the automatic differentiation method. Therefore, the dual number algebra method can be applied as a tool for checking the accuracy of the well-known finite difference schemes.

Exchange bias and perpendicular anisotropy study of ultrathin Pt-Co-Pt-IrMn multilayers sputtered on float glass

NASA Astrophysics Data System (ADS)

Laval, M.; Lüders, U.; Bobo, J. F.

2007-09-01

We have prepared ultrathin Pt-Co-Pt-IrMn polycrystalline multilayers on float-glass substrates by DC magnetron sputtering. We have determined the optimal set of thickness for both Pt layers, the Co layer and the IrMn biasing layer so that these samples exhibit at the same time out-of-plane magnetic anisotropy and exchange bias. Kerr microscopy domain structure imaging evidences an increase of nucleation rate accompanied with inhomogeneous magnetic behavior in the case of exchange-biased films compared to Pt-Co-Pt trilayers. Polar hysteresis loops are measured in obliquely applied magnetic field conditions, allowing us to determine both perpendicular anisotropy effective constant Keff and exchange-bias coupling JE, which are significantly different from the ones determined by standard switching field measurements.

The Euclidean scalar Green function in the five-dimensional Kaluza-Klein magnetic monopole space-time

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

Bezerra de Mello, E.R.

2006-01-15

In this paper we present, in a integral form, the Euclidean Green function associated with a massless scalar field in the five-dimensional Kaluza-Klein magnetic monopole superposed to a global monopole, admitting a nontrivial coupling between the field with the geometry. This Green function is expressed as the sum of two contributions: the first one related with uncharged component of the field, is similar to the Green function associated with a scalar field in a four-dimensional global monopole space-time. The second contains the information of all the other components. Using this Green function it is possible to study the vacuum polarizationmore » effects on this space-time. Explicitly we calculate the renormalized vacuum expectation value <{phi}{sup *}(x){phi}(x)>{sub Ren}, which by its turn is also expressed as the sum of two contributions.« less

Exact Fourier expansion in cylindrical coordinates for the three-dimensional Helmholtz Green function

NASA Astrophysics Data System (ADS)

Conway, John T.; Cohl, Howard S.

2010-06-01

A new method is presented for Fourier decomposition of the Helmholtz Green function in cylindrical coordinates, which is equivalent to obtaining the solution of the Helmholtz equation for a general ring source. The Fourier coefficients of the Green function are split into their half advanced + half retarded and half advanced-half retarded components, and closed form solutions for these components are then obtained in terms of a Horn function and a Kampé de Fériet function respectively. Series solutions for the Fourier coefficients are given in terms of associated Legendre functions, Bessel and Hankel functions and a hypergeometric function. These series are derived either from the closed form 2-dimensional hypergeometric solutions or from an integral representation, or from both. A simple closed form far-field solution for the general Fourier coefficient is derived from the Hankel series. Numerical calculations comparing different methods of calculating the Fourier coefficients are presented. Fourth order ordinary differential equations for the Fourier coefficients are also given and discussed briefly.

New features and improved uncertainty analysis in the NEA nuclear data sensitivity tool (NDaST)

NASA Astrophysics Data System (ADS)

Dyrda, J.; Soppera, N.; Hill, I.; Bossant, M.; Gulliford, J.

2017-09-01

Following the release and initial testing period of the NEA's Nuclear Data Sensitivity Tool [1], new features have been designed and implemented in order to expand its uncertainty analysis capabilities. The aim is to provide a free online tool for integral benchmark testing, that is both efficient and comprehensive, meeting the needs of the nuclear data and benchmark testing communities. New features include access to P1 sensitivities for neutron scattering angular distribution [2] and constrained Chi sensitivities for the prompt fission neutron energy sampling. Both of these are compatible with covariance data accessed via the JANIS nuclear data software, enabling propagation of the resultant uncertainties in keff to a large series of integral experiment benchmarks. These capabilities are available using a number of different covariance libraries e.g., ENDF/B, JEFF, JENDL and TENDL, allowing comparison of the broad range of results it is possible to obtain. The IRPhE database of reactor physics measurements is now also accessible within the tool in addition to the criticality benchmarks from ICSBEP. Other improvements include the ability to determine and visualise the energy dependence of a given calculated result in order to better identify specific regions of importance or high uncertainty contribution. Sorting and statistical analysis of the selected benchmark suite is now also provided. Examples of the plots generated by the software are included to illustrate such capabilities. Finally, a number of analytical expressions, for example Maxwellian and Watt fission spectra will be included. This will allow the analyst to determine the impact of varying such distributions within the data evaluation, either through adjustment of parameters within the expressions, or by comparison to a more general probability distribution fitted to measured data. The impact of such changes is verified through calculations which are compared to a `direct' measurement found by adjustment of the original ENDF format file.

Two- and three-photon ionization in the noble gases

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

McGuire, E.J.

1981-08-01

By using a characteristic Green's function for an exactly solvable Schroedinger equation with an approximation to the central potential of Hermann and Skillman, the cross section for nonresonant two- and three-photon ionization of Ne, Ar, Kr, and Xe were calculated in jl coupling. Expressions for cross sections in jl coupling are given. Comparison with the Ar two-photon cross section of Pindzola and Kelly, calculated using the many-body theory, the dipole-length approximation, and LS coupling shows a disagreement of as much as a factor of 2. The disagreement appears to arise from distortion introduced by shifting the Green's-function resonances to experimentalmore » values.« less

Study on the Electronic Transport Properties of Zigzag GaN Nanotubes

NASA Astrophysics Data System (ADS)

Li, Enling; Wang, Xiqiang; Hou, Liping; Zhao, Danna; Dai, Yuanbin; Wang, Xuewen

2011-02-01

The electronic transport properties of zigzag GaN nanotubes (n, 0) (4 <= n <= 9) have been calculated using the density functional theory and non-equilibrium Green's functions method. Firstly, the density functional theory (DFT) is used to optimize and calculate the electronic structure of GaNNTs (n, 0) (4<=n<=9). Secondly, DFT and non-equilibrium Green function (NEGF) method are also used to predict the electronic transport properties of GaNNTs two-probe system. The results showed: there is a corresponding relation between the electronic transport properties and the valley of state density of each GaNNT. In addition, the volt-ampere curve of GaNNT is approximately linear.

Norbornane: An investigation into its valence electronic structure using electron momentum spectroscopy, and density functional and Green's function theories

NASA Astrophysics Data System (ADS)

Knippenberg, S.; Nixon, K. L.; Brunger, M. J.; Maddern, T.; Campbell, L.; Trout, N.; Wang, F.; Newell, W. R.; Deleuze, M. S.; Francois, J.-P.; Winkler, D. A.

2004-12-01

We report on the results of an exhaustive study of the valence electronic structure of norbornane (C7H12), up to binding energies of 29 eV. Experimental electron momentum spectroscopy and theoretical Green's function and density functional theory approaches were all utilized in this investigation. A stringent comparison between the electron momentum spectroscopy and theoretical orbital momentum distributions found that, among all the tested models, the combination of the Becke-Perdew functional and a polarized valence basis set of triple-ζ quality provides the best representation of the electron momentum distributions for all of the 20 valence orbitals of norbornane. This experimentally validated quantum chemistry model was then used to extract some chemically important properties of norbornane. When these calculated properties are compared to corresponding results from other independent measurements, generally good agreement is found. Green's function calculations with the aid of the third-order algebraic diagrammatic construction scheme indicate that the orbital picture of ionization breaks down at binding energies larger than 22.5 eV. Despite this complication, they enable insights within 0.2 eV accuracy into the available ultraviolet photoemission and newly presented (e,2e) ionization spectra, except for the band associated with the 1a2-1 one-hole state, which is probably subject to rather significant vibronic coupling effects, and a band at ˜25 eV characterized by a momentum distribution of "s-type" symmetry, which Green's function calculations fail to reproduce. We note the vicinity of the vertical double ionization threshold at ˜26 eV.

Distribution of green infrastructure along walkable roads ...

EPA Pesticide Factsheets

Low-income and minority neighborhoods frequently lack healthful resources to which wealthier communities have access. Though important, the addition of facilities such as recreation centers can be costly and take time to implement. Urban green infrastructure, such as street trees and other green space, can be a low-cost alternative to promote frequency and duration of outdoor physical activity. Street trees and other green space may increase outdoor physical activity levels by providing shade, improving aesthetics, and promoting social engagement. Though street trees and green space provide many benefits and are publicly accessible at all times, these resources are not evenly distributed between neighborhoods. An objective analysis of street tree cover and green space in 6,407 block groups across 10 urban areas was conducted using fine-scale land cover data. Distribution of green infrastructure was then analyzed by minority status, income, car ownership, housing density, and employment density. The objective measure of street tree cover and green space is based on 1-meter resolution land cover data from the U.S. EPA-led EnviroAtlas. Tree cover was analyzed along each side of walkable road centerlines in the areas where sidewalks are estimated to be. Green space was calculated within 25 meters of road centerlines. Percent tree cover and green space per city block were then summarized to census block group (CBG). CBG demographics from the U.S. Census and built env

Study of ultrasonic attenuation in f-electron systems in the paramagnetic limit of Coulomb interaction

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

Shadangi, Asit Ku., E-mail: asitshad@iopb.res.in; Rout, G. C., E-mail: gcr@iopb.res.in

2015-05-15

We report here a microscopic model study of ultrasonic attenuation in f-electron systems based on Periodic Anderson Model in which Coulomb interaction is considered within a mean-field approximation for a weak interaction. The Phonon is coupled to the conduction band and f-electrons. The phonon Green's function is calculated by Zubarev's technique of the Green's function method. The temperature dependent ultrasonic attenuation co-efficient is calculated from the imaginary part of the phonon self-energy in the dynamic and long wave length limit. The f-electron occupation number is calculated self-consistently in paramagnetic limit of Coulomb interaction. The effect of the Coulomb interaction onmore » ultrasonic attenuation is studied by varying the phonon coupling parameters to the conduction and f-electrons, hybridization strength, the position of f-level and the Coulomb interaction Strength. Results are discussed on the basis of experimental results.« less

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.

Structure and Charge Hopping Dynamics in Green Rust

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

Wander, Matthew C; Rosso, Kevin M; Schoonen, Martin A

Green rust is a family of mixed-valent iron phases formed by a number of abiotic and biotic processes under alkaline suboxic conditions. Due to its high Fe 2+ content, green rust is a potentially important phase for pollution remediation by serving as a powerful electron donor for reductive transformation. However, mechanisms of oxidation of this material are poorly understood. An essential component of the green rust structure is a mixed-valent brucite-like Fe(OH) 2 sheet comprised of a two dimensional network of edge-sharing iron octahedra. Room temperature Mössbauer spectra show a characteristic signature for intermediate valence on the iron atoms inmore » this sheet, indicative of a Fe 2+-Fe 3+ valence interchange reaction faster than approximately 10 7 s -1. Using Fe(OH) 2 as structural analogue for reduced green rust, we performed Hartree-Fock calculations on periodic slab models and cluster representations to determine the structure and hopping mobility of Fe 3+ hole polarons in this material, providing a first principles assessment of the Fe 2+-Fe 3+ valence interchange reaction rate. The calculations show that among three possible symmetry unique iron-to-iron hops within a sheet, a hop to next-nearest neighbors at an intermediate distance of 5.6 Å is the fastest. The predicted rate is on the order of 10 12 s -1 consistent the Mössbauer-based constraint. All other possibilities, including hopping across interlayer spaces, are predicted to be slower than 10 7 s -1. Collectively, the findings suggest the possibility of hole self-diffusion along sheets as a mechanism for regeneration of lattice Fe 2+ sites, consistent with previous experimental observations of edge-inward progressive oxidation of green rust.« less

Thermal and water regime of green roof segments filled with Technosol

NASA Astrophysics Data System (ADS)

Jelínková, Vladimíra; Šácha, Jan; Dohnal, Michal; Skala, Vojtěch

2016-04-01

Artificial soil systems and structures comprise appreciable part of the urban areas and are considered to be perspective for number of reasons. One of the most important lies in contribution of green roofs and facades to the heat island effect mitigation, air quality improvement, storm water reduction, etc. The aim of the presented study is to evaluate thermal and water regime of the anthropogenic soil systems during the first months of the construction life cycle. Green roof test segments filled with two different anthropogenic soils were built to investigate the benefits of such systems in the temperate climate. Temperature and water balance measurements complemented with meteorological observations and knowledge of physical properties of the soil substrates provided basis for detailed analysis of thermal and hydrological regime. Water balance of green roof segments was calculated for available vegetation seasons and individual rainfall events. On the basis of an analysis of individual rainfall events rainfall-runoff dependency was found for green roof segments. The difference between measured actual evapotranspiration and calculated potential evapotranspiration was discussed on period with contrasting conditions in terms of the moisture stress. Thermal characteristics of soil substrates resulted in highly contrasting diurnal variation of soils temperatures. Green roof systems under study were able to reduce heat load of the roof construction when comparing with a concrete roof construction. Similarly, received rainfall was significantly reduced. The extent of the rainfall reduction mainly depends on soil, vegetation status and experienced weather patterns. The research was realized as a part of the University Centre for Energy Efficient Buildings supported by the EU and with financial support from the Czech Science Foundation under project number 14-10455P.

Calculation of broadband time histories of ground motion: Comparison of methods and validation using strong-ground motion from the 1994 Northridge earthquake

USGS Publications Warehouse

Hartzell, S.; Harmsen, S.; Frankel, A.; Larsen, S.

1999-01-01

This article compares techniques for calculating broadband time histories of ground motion in the near field of a finite fault by comparing synthetics with the strong-motion data set for the 1994 Northridge earthquake. Based on this comparison, a preferred methodology is presented. Ground-motion-simulation techniques are divided into two general methods: kinematic- and composite-fault models. Green's functions of three types are evaluated: stochastic, empirical, and theoretical. A hybrid scheme is found to give the best fit to the Northridge data. Low frequencies ( 1 Hz) are calculated using a composite-fault model with a fractal subevent size distribution and stochastic, bandlimited, white-noise Green's functions. At frequencies below 1 Hz, theoretical elastic-wave-propagation synthetics introduce proper seismic-phase arrivals of body waves and surface waves. The 3D velocity structure more accurately reproduces record durations for the deep sedimentary basin structures found in the Los Angeles region. At frequencies above 1 Hz, scattering effects become important and wave propagation is more accurately represented by stochastic Green's functions. A fractal subevent size distribution for the composite fault model ensures an ??-2 spectral shape over the entire frequency band considered (0.1-20 Hz).

Overcomplete compact representation of two-particle Green's functions

NASA Astrophysics Data System (ADS)

Shinaoka, Hiroshi; Otsuki, Junya; Haule, Kristjan; Wallerberger, Markus; Gull, Emanuel; Yoshimi, Kazuyoshi; Ohzeki, Masayuki

2018-05-01

Two-particle Green's functions and the vertex functions play a critical role in theoretical frameworks for describing strongly correlated electron systems. However, numerical calculations at the two-particle level often suffer from large computation time and massive memory consumption. We derive a general expansion formula for the two-particle Green's functions in terms of an overcomplete representation based on the recently proposed "intermediate representation" basis. The expansion formula is obtained by decomposing the spectral representation of the two-particle Green's function. We demonstrate that the expansion coefficients decay exponentially, while all high-frequency and long-tail structures in the Matsubara-frequency domain are retained. This representation therefore enables efficient treatment of two-particle quantities and opens a route to the application of modern many-body theories to realistic strongly correlated electron systems.

Evaluation research on jiangsu green economy development capability: a case study of Xuzhou

NASA Astrophysics Data System (ADS)

Sun, Fuhua; Liu, Haiyu; Wang, Zhaoxia

2018-02-01

As a national leading province of economic development and demonstration area of ecological civilization construction, Jiangsu makes a scientific and rational evaluation to its green economy development capability through the construction of index system and model, which is significant for better grasping its green development condition, implementing the “green” development concept and promoting Jiangsu to be a new Jiangsu with “good economy, rich public, favourable environment and civilized society degree”. The paper constructs the evaluation system of green economic development capability based on factor analysis method, adjusts indexes at all levels through factor analysis, calculates the factor score, determines the main influencing factors, analyzes the influence factor score, and puts forward the corresponding policy according to the practical situation of Jiangsu Province.

Estimating the weight of Douglas-fir tree boles and logs with an iterative computer model.

Treesearch

Dale R. Waddell; Dale L Weyermann; Michael B. Lambert

1987-01-01

A computer model that estimates the green weights of standing trees was developed and validated for old-growth Douglas-fir. The model calculates the green weight for the entire bole, for the bole to any merchantable top, and for any log length within the bole. The model was validated by estimating the bias and accuracy of an independent subsample selected from the...

Scaling of economic benefits from Green Roof implementation in Washington, DC.

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

Niu, H.; Clark, C. E.; Zhou, J.

2010-06-01

Green roof technology is recognized for mitigating stormwater runoff and energy consumption. Methods to overcome the cost gap between green roofs and conventional roofs were recently quantified by incorporating air quality benefits. This study investigates the impact of scaling on these benefits at the city-wide scale using Washington, DC as a test bed because of the proposed targets in the 20-20-20 vision (20 million ft{sup 2} by 2020) articulated by Casey Trees, a nonprofit organization. Building-specific stormwater benefits were analyzed assuming two proposed policy scenarios for stormwater fees ranging from 35 to 50% reduction for green roof implementation. Heat fluxmore » calculations were used to estimate building-specific energy savings for commercial buildings. To assess benefits at the city scale, stormwater infrastructure savings were based on operational savings and size reduction due to reduced stormwater volume generation. Scaled energy infrastructure benefits were calculated using two size reductions methods for air conditioners. Avoided carbon dioxide, nitrogen oxide (NOx), and sulfur dioxide emissions were based on reductions in electricity and natural gas consumption. Lastly, experimental and fugacity-based estimates were used to quantify the NOx uptake by green roofs, which was translated to health benefits using U.S. Environmental Protection Agency models. The results of the net present value (NPV) analysis showed that stormwater infrastructure benefits totaled $1.04 million (M), while fee-based stormwater benefits were $0.22-0.32 M/y. Energy savings were $0.87 M/y, while air conditioner resizing benefits were estimated at $0.02 to $0.04 M/y and avoided emissions benefits (based on current emission trading values) were $0.09 M-0.41 M/y. Over the lifetime of the green roof (40 years), the NPV is about 30-40% less than that of conventional roofs (not including green roof maintenance costs). These considerable benefits, in concert with current and emerging policy frameworks, may facilitate future adoption of this technology.« less

Scaling of economic benefits from green roof implementation in Washington, DC.

PubMed

Niu, Hao; Clark, Corrie; Zhou, Jiti; Adriaens, Peter

2010-06-01

Green roof technology is recognized for mitigating stormwater runoff and energy consumption. Methods to overcome the cost gap between green roofs and conventional roofs were recently quantified by incorporating air quality benefits. This study investigates the impact of scaling on these benefits at the city-wide scale using Washington, DC as a test bed because of the proposed targets in the 20-20-20 vision (20 million ft(2) by 2020) articulated by Casey Trees, a nonprofit organization. Building-specific stormwater benefits were analyzed assuming two proposed policy scenarios for stormwater fees ranging from 35 to 50% reduction for green roof implementation. Heat flux calculations were used to estimate building-specific energy savings for commercial buildings. To assess benefits at the city scale, stormwater infrastructure savings were based on operational savings and size reduction due to reduced stormwater volume generation. Scaled energy infrastructure benefits were calculated using two size reductions methods for air conditioners. Avoided carbon dioxide, nitrogen oxide (NO(x)), and sulfur dioxide emissions were based on reductions in electricity and natural gas consumption. Lastly, experimental and fugacity-based estimates were used to quantify the NO(x) uptake by green roofs, which was translated to health benefits using U.S. Environmental Protection Agency models. The results of the net present value (NPV) analysis showed that stormwater infrastructure benefits totaled $1.04 million (M), while fee-based stormwater benefits were $0.22-0.32 M/y. Energy savings were $0.87 M/y, while air conditioner resizing benefits were estimated at $0.02 to $0.04 M/y and avoided emissions benefits (based on current emission trading values) were $0.09 M-0.41 M/y. Over the lifetime of the green roof (40 years), the NPV is about 30-40% less than that of conventional roofs (not including green roof maintenance costs). These considerable benefits, in concert with current and emerging policy frameworks, may facilitate future adoption of this technology.

Source inversion analysis of the 2011 Tohoku-Oki earthquake using Green's functions calculated from a 3-D heterogeneous structure model

NASA Astrophysics Data System (ADS)

Suzuki, W.; Aoi, S.; Maeda, T.; Sekiguchi, H.; Kunugi, T.

2013-12-01

Source inversion analysis using near-source strong-motion records with an assumption of 1-D underground structure models has revealed the overall characteristics of the rupture process of the 2011 Tohoku-Oki mega-thrust earthquake. This assumption for the structure model is acceptable because the seismic waves radiated during the Tohoku-Oki event were rich in the very-low-frequency contents lower than 0.05 Hz, which are less affected by the small-scale heterogeneous structure. The analysis using more reliable Green's functions even in the higher-frequency range considering complex structure of the subduction zone will illuminate more detailed rupture process in space and time and the transition of the frequency dependence of the wave radiation for the Tohoku-Oki earthquake. In this study, we calculate the near-source Green's functions using a 3-D underground structure model and perform the source inversion analysis using them. The 3-D underground structure model used in this study is the Japan Integrated Velocity Structure Model (Headquarters for Earthquake Research Promotion, 2012). A curved fault model on the Pacific plate interface is discretized into 287 subfaults at ~20 km interval. The Green's functions are calculated using GMS (Aoi et al., 2004), which is a simulation program package for the seismic wave field by the finite difference method using discontinuous grids (Aoi and Fujiwara, 1999). Computational region is 136-146.2E in longitude, 34-41.6N in latitude, and 0-100 km in depth. The horizontal and vertical grid intervals are 200 m and 100 m, respectively, for the shallower region and those for the deeper region are tripled. The number of the total grids is 2.1 billion. We derive 300-s records by calculating 36,000 steps with a time interval of 0.0083 second (120 Hz sampling). It takes nearly one hour to compute one case using 48 Graphics Processing Units (GPU) on TSUBAME2.0 supercomputer owned by Tokyo Institute of Technology. In total, 574 cases are calculated to derive the Green's functions for two basis slip angles from each subfault. A preliminary inversion result using the same frequency band and strong-motion stations as those for our previous studies (Suzuki et al., 2011; 2013) shows that, in addition to a large slip in the shallower area, a slip in the deeper part is relatively larger than the previous result, for the off Miyagi region. Characteristics of the temporal rupture progression are consistent with the previous studies. Our further study will consider the rupture propagation inside subfault, which would more appropriately evaluate the slip amount of the deeper area related to the rupture propagating landward. Improvement of waveform alignment is also necessary to reduce the influence of the discrepancy and uncertainty of the underground structure models used for the hypocenter determination and Green's function calculation. Acknowledgements: This research is partially supported by "Joint Usage/Research Center for Interdisciplinary Large-scale Information Infrastructures" and "High Performance Computing Infrastructure" in Japan.

Predicting Maps of Green Growth in Košice

NASA Astrophysics Data System (ADS)

Poorova, Zuzana; Vranayova, Zuzana

2017-10-01

The paper deals with the changing of the traditional roofs in the city of Košice into green roofs. Possible areas of city housing estates, after taking into account the conditions of each of them (types of buildings, statics of buildings), are listed in the paper. The research is picturing the prediction maps of Košice city from 2017 to 2042 in 5-years interval. The paper is a segment of a dissertation work focusing on changing traditional roofs into green roofs with the aim to retain water, calculate the amount of retained water and show possibilities how to use this water.

Personalized Vehicle Energy Efficiency & Range Predictor/MyGreenCar

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

SAXENA, SAMVEG

MyGreenCar provides users with the ability to predict the range capabilities, fuel economy, and operating costs for any vehicle for their individual driving patterns. Users launce the MyGreeCar mobile app on their smartphones to collect their driving patterns over any duration (e.g. serval days, weeks, months, etc) using a phones's locational capabilities. Using vehicle powertrain models for any user-specified vehicle type, MyGreenCar, calculates the component-level energy and power interactions for the chosen vehicle to predict several important quantities, including: 1. For Evs: Alleviating range anxiety 2. Comparing fuel economy, operating costs, and payback time across models and types.

Analytic and numeric Green's functions for a two-dimensional electron gas in an orthogonal magnetic field

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

Cresti, Alessandro; Grosso, Giuseppe; Parravicini, Giuseppe Pastori

2006-05-15

We have derived closed analytic expressions for the Green's function of an electron in a two-dimensional electron gas threaded by a uniform perpendicular magnetic field, also in the presence of a uniform electric field and of a parabolic spatial confinement. A workable and powerful numerical procedure for the calculation of the Green's functions for a large infinitely extended quantum wire is considered exploiting a lattice model for the wire, the tight-binding representation for the corresponding matrix Green's function, and the Peierls phase factor in the Hamiltonian hopping matrix element to account for the magnetic field. The numerical evaluation of themore » Green's function has been performed by means of the decimation-renormalization method, and quite satisfactorily compared with the analytic results worked out in this paper. As an example of the versatility of the numerical and analytic tools here presented, the peculiar semilocal character of the magnetic Green's function is studied in detail because of its basic importance in determining magneto-transport properties in mesoscopic systems.« less

Vibrational energy flow through the green fluorescent protein-water interface: communication maps and thermal boundary conductance.

PubMed

Xu, Yao; Leitner, David M

2014-07-17

We calculate communication maps for green fluorescent protein (GFP) to elucidate energy transfer pathways between the chromophore and other parts of the protein in the ground and excited state. The approach locates energy transport channels from the chromophore to remote regions of the protein via residues and water molecules that hydrogen bond to the chromophore. We calculate the thermal boundary conductance between GFP and water over a wide range of temperature and find that the interface between the protein and the cluster of water molecules in the β-barrel poses negligible resistance to thermal flow, consistent with facile vibrational energy transfer from the chromophore to the β-barrel waters observed in the communication maps.

Competition between photodetachment and autodetachment of the 2{sup 1}ππ{sup *} state of the green fluorescent protein chromophore anion

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

Mooney, Ciarán R. S.; Parkes, Michael A.; Zhang, Lijuan

2014-05-28

Using a combination of photoelectron spectroscopy measurements and quantum chemistry calculations, we have identified competing electron emission processes that contribute to the 350–315 nm photoelectron spectra of the deprotonated green fluorescent protein chromophore anion, p-hydroxybenzylidene-2,3-dimethylimidazolinone. As well as direct electron detachment from S{sub 0}, we observe resonant excitation of the 2{sup 1}ππ* state of the anion followed by autodetachment. The experimental photoelectron spectra are found to be significantly broader than photoelectron spectrum calculated using the Franck-Condon method and we attribute this to rapid (∼10 fs) vibrational decoherence, or intramolecular vibrational energy redistribution, within the neutral radical.

Fabrication and magnetic properties of structure-tunable Co2FeGa-SiO2 Heusler nanocompounds

NASA Astrophysics Data System (ADS)

Xu, Yunli; Yang, Dongchao; Luo, Zhaochu; Wu, Fengyu; Chen, Cheng; Liu, Min; Yi, Lizhi; Piao, Hong-Guang; Yu, Guanghua

2018-05-01

Co2FeGa-SiO2 nanocompounds were chemically synthesized by using SBA-15 as template, which has the L21 Heusler phase. The reactants comprised CoCl2 . 6H2O, Fe(NO3)3 . 9H2O and Ga(NO3) . xH2O with the addition of SBA-15 with different contents. The structure and morphology of the product were controlled by modulating the ratio of reactants to templates. After high-temperature annealing under H2 atmosphere and the removal of the template, the Co2FeGa nanowires, which are of about 125˜200 nm length, 4˜7 nm width and the length-to-width ratio of about 30 were observed by transmission electron microscope. The structure and component of the nanowires were confirmed by selected area electron diffraction, X-ray diffraction and energy-dispersive X-ray spectroscopy, respectively. The magnetic test showed that the saturation magnetization (Ms) was 87.5 emu/g for the Co2FeGa nanowires, and the Curie temperature was higher than 380K. The effective anisotropy constant Keff=4.196 × 105 J/m3 was calculated using magnetization curve, which is below the value of bulk Co2FeGa 6.54 × 105 J/m3. The dynamic magnetic properties study performed by ferromagnetic resonance indicated that the Gilbert damping coefficient α were about 0.1944-0.0288 for different samples. The high damping coefficient makes the nanocomposites promising to be used as a microwave absorber in the GHz band.

Analytical approximations for effective relative permeability in the capillary limit

NASA Astrophysics Data System (ADS)

Rabinovich, Avinoam; Li, Boxiao; Durlofsky, Louis J.

2016-10-01

We present an analytical method for calculating two-phase effective relative permeability, krjeff, where j designates phase (here CO2 and water), under steady state and capillary-limit assumptions. These effective relative permeabilities may be applied in experimental settings and for upscaling in the context of numerical flow simulations, e.g., for CO2 storage. An exact solution for effective absolute permeability, keff, in two-dimensional log-normally distributed isotropic permeability (k) fields is the geometric mean. We show that this does not hold for krjeff since log normality is not maintained in the capillary-limit phase permeability field (Kj=k·krj) when capillary pressure, and thus the saturation field, is varied. Nevertheless, the geometric mean is still shown to be suitable for approximating krjeff when the variance of ln⁡k is low. For high-variance cases, we apply a correction to the geometric average gas effective relative permeability using a Winsorized mean, which neglects large and small Kj values symmetrically. The analytical method is extended to anisotropically correlated log-normal permeability fields using power law averaging. In these cases, the Winsorized mean treatment is applied to the gas curves for cases described by negative power law exponents (flow across incomplete layers). The accuracy of our analytical expressions for krjeff is demonstrated through extensive numerical tests, using low-variance and high-variance permeability realizations with a range of correlation structures. We also present integral expressions for geometric-mean and power law average krjeff for the systems considered, which enable derivation of closed-form series solutions for krjeff without generating permeability realizations.

Relativistic calculation of correlational energy for a helium-like atom

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

Palchikov, V.G.

This paper presents an analytical method for calculating the firstorder correlational energy from the electron interaction, taking account of lag effects. Explicit analytical expressions are obtained for radial matrix elements. The nonrelativistic limit is investigated. The given method may be used to calculate correlation effects in higher orders of perturbation theory (second and higher orders with respect to 1/z) using the Strum expansion for the Coulomb Green's functions.

Use of the Thin-Walled Torsion Specimen

DTIC Science & Technology

1992-08-01

similar to the 316 stainless steel but the shear, stress shows a region of lower 16 strain hardening during the reversal. This behavor has been observed...oscillations and match the axial stress seen in experiment. Among these proposals are: the use of the Green -Naghdi stress rate,22 and the formulation of...other references on the topic. In this section, calculations using Jaumann, Green -Naghdi, and plastic spin motivated stress rates ap- plied to

77 FR 38215 - Change to FMCSA Policy on Calculating and Publicizing the Driver, Vehicle, and Hazardous...

Federal Register 2010, 2011, 2012, 2013, 2014

2012-06-27

... Carrier Management Information System (MCMIS) to calculate the OOS rates representing the top or worst... INFORMATION CONTACT: Ms. Roxane Greene, at [email protected] or phone (202) 366-0735; or John Hardridge... holidays. SUPPLEMENTARY INFORMATION: The HMSP requirement became effective for motor carriers as of January...

Band structures in coupled-cluster singles-and-doubles Green's function (GFCCSD)

NASA Astrophysics Data System (ADS)

Furukawa, Yoritaka; Kosugi, Taichi; Nishi, Hirofumi; Matsushita, Yu-ichiro

2018-05-01

We demonstrate that the coupled-cluster singles-and-doubles Green's function (GFCCSD) method is a powerful and prominent tool drawing the electronic band structures and the total energies, which many theoretical techniques struggle to reproduce. We have calculated single-electron energy spectra via the GFCCSD method for various kinds of systems, ranging from ionic to covalent and van der Waals, for the first time: the one-dimensional LiH chain, one-dimensional C chain, and one-dimensional Be chain. We have found that the bandgap becomes narrower than in HF due to the correlation effect. We also show that the band structures obtained from the GFCCSD method include both quasiparticle and satellite peaks successfully. Besides, taking one-dimensional LiH as an example, we discuss the validity of restricting the active space to suppress the computational cost of the GFCCSD method. We show that the calculated results without bands that do not contribute to the chemical bonds are in good agreement with full-band calculations. With the GFCCSD method, we can calculate the total energies and spectral functions for periodic systems in an explicitly correlated manner.

Raman spectra and DFT calculations for botryococcene and methylsqualene hydrocarbons from the B race of the green microalga Botryococcus braunii

NASA Astrophysics Data System (ADS)

Tatli, Mehmet; Chun, Hye Jin; Camp, Charles H.; Li, Jingting; Cicerone, Marcus T.; Shih, Wei-Chuan; Laane, Jaan; Devarenne, Timothy P.

2017-11-01

Botryococcus braunii, a green colonial microalga, is a prodigious producer of liquid hydrocarbon oils that can be used as renewable feedstocks for producing combustion engine fuels. The B race of B. braunii mainly produces the triterpene hydrocarbons known as botryococcenes, which have over twenty known structures. Minor hydrocarbons in the B race include the triterpene methylsqualenes. Here we report an examination of the molecular structure for ten botryococcenes and five methylsqualenes using Raman spectroscopy and density functional theory (DFT) calculations in an effort to distinguish between these structurally similar molecules by spectroscopic approaches. The DFT calculations show that these molecules have between 243 and 271 vibrational frequencies. A comparison of the experimental Raman spectroscopy and DFT calculations indicates several spectral regions such as those for ν(Cdbnd C) stretching, CH2/CH3 bending, and ring bending can be used to distinguish between these molecules. In an extension of this analysis, a broadband coherent anti-Stokes Raman spectroscopy (BCARS) analysis was used to clearly distinguish between several botryococcenes isomers.

General theory for calculating disorder-averaged Green's function correlators within the coherent potential approximation

NASA Astrophysics Data System (ADS)

Zhou, Chenyi; Guo, Hong

2017-01-01

We report a diagrammatic method to solve the general problem of calculating configurationally averaged Green's function correlators that appear in quantum transport theory for nanostructures containing disorder. The theory treats both equilibrium and nonequilibrium quantum statistics on an equal footing. Since random impurity scattering is a problem that cannot be solved exactly in a perturbative approach, we combine our diagrammatic method with the coherent potential approximation (CPA) so that a reliable closed-form solution can be obtained. Our theory not only ensures the internal consistency of the diagrams derived at different levels of the correlators but also satisfies a set of Ward-like identities that corroborate the conserving consistency of transport calculations within the formalism. The theory is applied to calculate the quantum transport properties such as average ac conductance and transmission moments of a disordered tight-binding model, and results are numerically verified to high precision by comparing to the exact solutions obtained from enumerating all possible disorder configurations. Our formalism can be employed to predict transport properties of a wide variety of physical systems where disorder scattering is important.

Estimated dissolved-solids loads and trends at selected streams in and near the Uinta Basin, Utah, Water Years 1989–2013

USGS Publications Warehouse

Thiros, Susan A.

2017-03-23

The U.S. Geological Survey (USGS), in cooperation with the Colorado River Basin Salinity Control Forum, studied trends in dissolved-solids loads at selected sites in and near the Uinta Basin, Utah. The Uinta Basin study area includes the Duchesne River Basin and the Middle Green River Basin in Utah from below Flaming Gorge Reservoir to the town of Green River.Annual dissolved-solids loads for water years (WY) 1989 through 2013 were estimated for 16 gaging stations in the study area using streamflow and water-quality data from the USGS National Water Information System database. Eight gaging stations that monitored catchments with limited or no agricultural land use (natural subbasins) were used to assess loads from natural sources. Four gaging stations that monitored catchments with agricultural land in the Duchesne River Basin were used to assess loads from agricultural sources. Four other gaging stations were included in the dissolved-solids load and trend analysis to help assess the effects of agricultural areas that drain to the Green River in the Uinta Basin, but outside of the Duchesne River Basin.Estimated mean annual dissolved-solids loads for WY 1989–2013 ranged from 1,520 tons at Lake Fork River above Moon Lake, near Mountain Home, Utah (UT), to 1,760,000 tons at Green River near Green River, UT. The flow-normalized loads at gaging stations upstream of agricultural activities showed no trend or a relatively small change. The largest net change in modeled flow-normalized load was -352,000 tons (a 17.8-percent decrease) at Green River near Green River, UT.Annual streamflow and modeled dissolved-solids loads at the gaging stations were balanced between upstream and downstream sites to determine how much water and dissolved solids were transported to the Duchesne River and a section of the Green River, and how much was picked up in each drainage area. Mass-balance calculations of WY 1989–2013 mean annual dissolved-solids loads at the studied sites show that Green River near Jensen, UT, accounts for 64 percent of the load in the river at Green River, UT, while the Duchesne River and White River contribute 10 and 13 percent, respectively.Annual streamflow and modeled dissolved-solids loads at the gaging stations were balanced between upstream and downstream sites to determine how much water and dissolved solids were transported to the Duchesne River and a section of the Green River, and how much was picked up in each drainage area. Mass-balance calculations of WY 1989–2013 mean annual dissolved-solids loads at the studied sites show that Green River near Jensen, UT, accounts for 64 percent of the load in the river at Green River, UT, while the Duchesne River and White River contribute 10 and 13 percent, respectively.The flow-normalized dissolved-solids loads estimated at Duchesne River near Randlett, UT, and White River near Watson, UT, decreased by 68,000 and 55,300 tons, or 27.8 and 20.8 percent respectively, when comparing 1989 to 2013. The drainage basins for both rivers have undergone salinity-control projects since the early 1980s to reduce the dissolved-solids load entering the Colorado River. Approximately 19 percent of the net change in flow-normalized load at Green River at Green River, UT, is from changes in load modeled at Duchesne River near Randlett, UT, and 16 percent from changes in load modeled at White River near Watson, UT. The net change in flow-normalized load estimated at Green River near Greendale, UT, for WY 1989–2013 accounts for about 45 percent of the net change estimated at Green River at Green River, UT.Mass-balance calculations of WY 1989–2013 mean annual dissolved-solids loads at the studied sites in the Duchesne River Basin show that 75,400 tons or 44 percent of the load at the Duchesne River near Randlett, UT, gaging station was not accounted for at any of the upstream gages. Most of this unmonitored load is derived from tributary inflow, groundwater discharge, unconsumed irrigation water, and irrigation tail water.A mass balance of WY 1989–2013 flow-normalized loads estimated at sites in the Duchesne River Basin indicates that the flow-normalized load of unmonitored inflow to the Duchesne River between the Myton and Randlett gaging stations decreased by 38 percent. The total net decrease in flow-normalized load calculated for unmonitored inflow in the drainage basin accounts for 94 percent of the decrease in WY 1989–2013 flow-normalized load modeled at the Duchesne River near Randlett, UT, gaging station. Irrigation improvements in the drainage basin have likely contributed to the decrease in flow-normalized load.Reductions in dissolved-solids load estimated by the Natural Resources Conservation Service (NRCS) and the Bureau of Reclamation (Reclamation) from on- and off-farm improvements in the Uinta Basin totaled about 135,000 tons in 2013 (81,900 tons from on-farm improvements and 53,300 tons from off-farm improvements). The reduction in dissolved-solids load resulting from on- and off-farm improvements facilitated by the NRCS and Reclamation in the Price River Basin from 1989 to 2013 was estimated to be 64,800 tons.The amount of sprinkler-irrigated land mapped in the drainage area or subbasin area for a gaging station was used to estimate the reduction in load resulting from the conversion from flood to sprinkler irrigation. Sprinkler-irrigated land mapped in the Uinta Basin totaled 109,630 acres in 2012. Assuming conversion to wheel-line sprinklers, a reduction in dissolved-solids load in the Uinta Basin of 95,800 tons in 2012 was calculated using the sprinkler-irrigation acreage and a pre-salinity-control project dissolved-solids yield of 1.04 tons per acre.A reduction of 72,800 tons in dissolved-solids load from irrigation improvements was determined from sprinkler-irrigated lands in the Ashley Valley and Jensen, Pelican Lake, and Pleasant Valley areas (mapped in 2012); and in the Price River Basin (mapped in 2011). This decrease in dissolved-solids load is 8,800 tons more than the decrease in unmonitored flow-normalized dissolved-solids load (-64,000 tons) determined for the Green River between the Jensen and Green River gaging stations.The net WY 1989–2013 change in flow-normalized dissolved-solids load at the Duchesne River near Randlett, UT, and the Green River between the Jensen and Green River, UT, gaging stations determined from mass-balance calculations was compared to reported reductions in dissolved-solids load from on- and off-farm improvements and estimated reductions in load determined from mapped sprinkler-irrigated areas in the Duchesne River Basin and the area draining to the Green River between the Jensen and Green River gaging stations. The combined NRCS and Reclamation estimates of reduction in dissolved-solids load from on- and off-farm improvements in the study area (200,000 tons) is more than the reduction in load estimated using the acreage with sprinkler improvements (136,000 tons) or the mass-balance of flow-normalized load (132,000 tons).

Streptavidin Modified ZnO Film Bulk Acoustic Resonator for Detection of Tumor Marker Mucin 1

NASA Astrophysics Data System (ADS)

Zheng, Dan; Guo, Peng; Xiong, Juan; Wang, Shengfu

2016-09-01

A ZnO-based film bulk acoustic resonator has been fabricated using a magnetron sputtering technology, which was employed as a biosensor for detection of mucin 1. The resonant frequency of the thin-film bulk acoustic resonator was located near at 1503.3 MHz. The average electromechanical coupling factor {K}_{eff}^2 and quality factor Q were 2.39 % and 224, respectively. Using the specific binding system of avidin-biotin, the streptavidin was self-assembled on the top gold electrode as the sensitive layer to indirectly test the MUC1 molecules. The resonant frequency of the biosensor decreases in response to the mass loading in range of 20-500 nM. The sensor modified with the streptavidin exhibits a high sensitivity of 4642.6 Hz/nM and a good selectivity.

Relativistic central-field Green's functions for the RATIP package

NASA Astrophysics Data System (ADS)

Koval, Peter; Fritzsche, Stephan

2005-11-01

From perturbation theory, Green's functions are known for providing a simple and convenient access to the (complete) spectrum of atoms and ions. Having these functions available, they may help carry out perturbation expansions to any order beyond the first one. For most realistic potentials, however, the Green's functions need to be calculated numerically since an analytic form is known only for free electrons or for their motion in a pure Coulomb field. Therefore, in order to facilitate the use of Green's functions also for atoms and ions other than the hydrogen-like ions, here we provide an extension to the RATIP program which supports the computation of relativistic (one-electron) Green's functions in an—arbitrarily given—central-field potential V(r). Different computational modes have been implemented to define these effective potentials and to generate the radial Green's functions for all bound-state energies E<0. In addition, care has been taken to provide a user-friendly component of the RATIP package by utilizing features of the Fortran 90/95 standard such as data structures, allocatable arrays, or a module-oriented design. Program summaryTitle of program:XGREENS Catalogue number: ADWM Program summary URL:http://cpc.cs.qub.ac.uk/summaries/ADWM Program obtainable from: CPC Program Library, Queen's University of Belfast, N. Ireland Licensing provisions:None Computer for which the new version has been tested: PC Pentium II, III, IV, Athlon Installations: University of Kassel (Germany) Operating systems: SuSE Linux 8.2, SuSE Linux 9.0 Program language used in the new version: ANSI standard Fortran 90/95 Memory required to execute with typical data: On a standard grid (400 nodes), one central-field Green's function requires about 50 kBytes in RAM while approximately 3 MBytes are needed if saved as two-dimensional array on some external disc space No. of bits in a word: Real variables of double- and quad-precision are used Peripheral used: Disk for input/output CPU time required to execute test data: 2 min on a 450 MHz Pentium III processor No. of lines in distributed program, including test data etc.: 82 042 No. of bytes in distributed program, including test data etc.: 814 096 Distribution format: tar.gz Nature of the physical problem: In atomic perturbation theory, Green's functions may help carry out the summation over the complete spectrum of atom and ions, including the (summation over the) bound states as well as an integration over the continuum [R.A. Swainson, G.W.F. Drake, J. Phys. A 24 (1991) 95]. Analytically, however, these functions are known only for free electrons ( V(r)≡0) and for electrons in a pure Coulomb field ( V(r)=-Z/r). For all other choices of the potential, in contrast, the Green's functions must be determined numerically. Method of solution: Relativistic Green's functions are generated for an arbitrary central-field potential V(r)=-Z(r)/r by using a piecewise linear approximation of the effective nuclear charge function Z(r) on some grid r(i=1,…,N): Z(r)=Z0i+Z1ir. Then, following McGuire's algorithm [E.J. McGuire, Phys. Rev. A 23 (1981) 186], the radial Green's functions are constructed from the (two) linear-independent solutions of the homogeneous equation [P. Morse, H. Feshbach, Methods of Theoretical Physics, McGraw-Hill, New York 1953 (Part 1, p. 825)]. In the computation of these radial functions, the Kummer and Tricomi functions [J. Spanier, B. Keith, An Atlas of Functions, Springer, New York, 1987] are used extensively. Restrictions onto the complexity of the problem: The main restrictions of the program concern the shape of the effective nuclear charge Z(r)=-rV(r), i.e. the choice of the potential, and the allowed energies. Apart from obeying the proper boundary conditions for a point-like nucleus, namely, Z(r→0)=Z>0 and Z(r→∞)=Z-N⩾0, the first derivative of the charge function Z(r) must be smaller than the (absolute value of the) energy of the Green's function, {∂Z(r)}/{∂r}<|E|. Unusual features of the program:XGREENS has been designed as a part of the RATIP package [S. Fritzsche, J. Elec. Spec. Rel. Phen. 114-116 (2001) 1155] for the calculation of relativistic atomic transition and ionization properties. In a short dialog at the beginning of the execution, the user can specify the choice of the potential as well as the energies and the symmetries of the radial Green's functions to be calculated. Apart from central-field Green's functions, of course, the Coulomb Green's function [P. Koval, S. Fritzsche, Comput. Phys. Comm. 152 (2003) 191] can also be computed by selecting a constant nuclear charge Z(r)=Z. In order to test the generated Green's functions, moreover, we compare the two lowest bound-state orbitals which are calculated from the Green's functions with those as generated separately for the given potential. Like the other components of the RATIP package, XGREENS makes careful use of the Fortran 90/95 standard.

Maximum entropy formalism for the analytic continuation of matrix-valued Green's functions

NASA Astrophysics Data System (ADS)

Kraberger, Gernot J.; Triebl, Robert; Zingl, Manuel; Aichhorn, Markus

2017-10-01

We present a generalization of the maximum entropy method to the analytic continuation of matrix-valued Green's functions. To treat off-diagonal elements correctly based on Bayesian probability theory, the entropy term has to be extended for spectral functions that are possibly negative in some frequency ranges. In that way, all matrix elements of the Green's function matrix can be analytically continued; we introduce a computationally cheap element-wise method for this purpose. However, this method cannot ensure important constraints on the mathematical properties of the resulting spectral functions, namely positive semidefiniteness and Hermiticity. To improve on this, we present a full matrix formalism, where all matrix elements are treated simultaneously. We show the capabilities of these methods using insulating and metallic dynamical mean-field theory (DMFT) Green's functions as test cases. Finally, we apply the methods to realistic material calculations for LaTiO3, where off-diagonal matrix elements in the Green's function appear due to the distorted crystal structure.

Chemical composition of some seaweed from Mediterranean Sea coast, Egypt.

PubMed

El-Said, Ghada F; El-Sikaily, Amany

2013-07-01

This study pointed to the assessment of the chemical composition (F, Ca, Mg, Na, K, Fe, Mn, Zn, Cu, Ni, Co, Cr, Cd, and carbohydrate) of different marine seaweeds (red, green, and brown) from the Egyptian Mediterranean Sea coast. The results showed that green seaweeds supplied better calcium sources than the red and brown ones. Also, red and brown seaweeds showed higher averages of Na and K than that in green species and these seaweeds could play an important role in the electrolyte balance in humans. On the other hand, green seaweeds gave the highest average carbohydrate concentration; thus, these green species could be used as a source of polysaccharides. Ion quotient values for almost seaweed species were between 1.4 and 4.0, so they can reduce hypertension, preeclampsia, and heart disease in human beings. Interestingly, the calculated hazard quotient of elements was below 1. Accordingly, these seaweed species were of high quality and safety and might be used in the field of nutrition.

Reliable Viscosity Calculation from Equilibrium Molecular Dynamics Simulations: A Time Decomposition Method.

PubMed

Zhang, Yong; Otani, Akihito; Maginn, Edward J

2015-08-11

Equilibrium molecular dynamics is often used in conjunction with a Green-Kubo integral of the pressure tensor autocorrelation function to compute the shear viscosity of fluids. This approach is computationally expensive and is subject to a large amount of variability because the plateau region of the Green-Kubo integral is difficult to identify unambiguously. Here, we propose a time decomposition approach for computing the shear viscosity using the Green-Kubo formalism. Instead of one long trajectory, multiple independent trajectories are run and the Green-Kubo relation is applied to each trajectory. The averaged running integral as a function of time is fit to a double-exponential function with a weighting function derived from the standard deviation of the running integrals. Such a weighting function minimizes the uncertainty of the estimated shear viscosity and provides an objective means of estimating the viscosity. While the formal Green-Kubo integral requires an integration to infinite time, we suggest an integration cutoff time tcut, which can be determined by the relative values of the running integral and the corresponding standard deviation. This approach for computing the shear viscosity can be easily automated and used in computational screening studies where human judgment and intervention in the data analysis are impractical. The method has been applied to the calculation of the shear viscosity of a relatively low-viscosity liquid, ethanol, and relatively high-viscosity ionic liquid, 1-n-butyl-3-methylimidazolium bis(trifluoromethane-sulfonyl)imide ([BMIM][Tf2N]), over a range of temperatures. These test cases show that the method is robust and yields reproducible and reliable shear viscosity values.

Application of Effective Fragment Potential Methos to the Redox Potential of Green Fluorescent Protein

NASA Astrophysics Data System (ADS)

Ghosh, Debashree; Krylov, Anna I.

2011-06-01

Green fluorescent proteins (GFP) can be considered as a model for flurogenic dyes and are of importance in photovoltaic materials. It exhibits bright green fluorescence when exposed to blue light and has been an extremely powerful tool as non-invasive marker in living cells and extensibly used in molecular and cell biology. The understanding of the underlying electronic structure of these proteins and its chromophore is therefore crucial to the understanding of the mechanism for its optical properties. The chromophore of the GFP is p-hydroxybenzylidene-imidazolinone (HBDI) and is embedded in the center of the β barrel of the GFP. Calculating redox potential of this chromophore is a challenging problem, especially in diverse solvents and protein environment. It is possible to carry out high-level accurate ab-initio calculation of ionization potential or electron affinity of the microsolvated chromophore or the bare chromophore. But, it is not possible to extend these calculations to bulk solvents due to the high computational cost. Effective fragment potential (EFP)[1,2] method gives us a convenient tool to understand such systems. In our work, we have benchmarked the ionization energy and electron affinity of the microsolvated GFP chromophore calculated by combined EOM-IP-CCSD/EFP and EOM-EA-CCSD/EFP with the EOM-IP-CCSD and EOM-EA-CCSD calculations of the oxidized and reduced forms. We have carried out similar EFP-EOM-IP-CCSD and EFP-EOM-EA-CCSD calculations of ionization potential and electron affinity of GFP choromophore in bulk solvent generated by ab-initio molecular dynamics simulations. [1] M. S. Gordon, L. Slipchenko, H. Li, J. H. Jensen, Annual Reports in Computational Chemistry, Volume 3, 177 (2007). [2] D. Ghosh, D. Kosenkov, V. Vanovschi, C.F. Williams, J.M. Herbert, M.S. Gordon, M.W. Schmidt, L.V. Slipchenko, and A.I. Krylov, J. Phys. Chem. A 114, 12739 (2010).

Comparison of seismic waveform inversion results for the rupture history of a finite fault: application to the 1986 North Palm Springs, California, earthquake

USGS Publications Warehouse

Hartzell, S.

1989-01-01

The July 8, 1986, North Palm Strings earthquake is used as a basis for comparison of several different approaches to the solution for the rupture history of a finite fault. The inversion of different waveform data is considered; both teleseismic P waveforms and local strong ground motion records. Linear parametrizations for slip amplitude are compared with nonlinear parametrizations for both slip amplitude and rupture time. Inversions using both synthetic and empirical Green's functions are considered. In general, accurate Green's functions are more readily calculable for the teleseismic problem where simple ray theory and flat-layered velocity structures are usually sufficient. However, uncertainties in the variation in t* with frequency most limit the resolution of teleseismic inversions. A set of empirical Green's functions that are well recorded at teleseismic distances could avoid the uncertainties in attenuation. In the inversion of strong motion data, the accurate calculation of propagation path effects other than attenuation effects is the limiting factor in the resolution of source parameters. -from Author

Equilibrium, thermodynamic and kinetic investigations for biosorption of uranium with green algae (Cladophora hutchinsiae).

PubMed

Bağda, Esra; Tuzen, Mustafa; Sarı, Ahmet

2017-09-01

Removal of toxic chemicals from environmental samples with low-cost methods and materials are very useful approach for especially large-scale applications. Green algae are highly abundant biomaterials which are employed as useful biosorbents in many studies. In the present study, an interesting type of green algae, Cladophora hutchinsiae (C. hutchinsiae) was used for removal of highly toxic chemical such as uranium. The pH, biosorbent concentration, contact time and temperature were optimized as 5.0, 12 g/L, 60 min and 20 °C, respectively. For the equilibrium calculations, three well known isotherm models (Langmuir, Freundlich and Dubinin-Radushkevich) were employed. The maximum biosorption capacity of the biosorbent was calculated as about 152 mg/g under the optimum batch conditions. The mean energy of biosorption was calculated as 8.39 kJ/mol from the D-R biosorption isotherm. The thermodynamic and kinetic characteristics of biosorption were also investigated to explain the nature of the process. The kinetic data best fits the pseudo-second-order kinetic model with a regression coefficient of >0.99 for all studied temperatures. The calculated ΔH° and ΔG° values showed that the biosorption process is exothermic and spontaneous for temperatures between 293 and 333 K. Furthermore, after seven cycling process, the sorption and desorption efficiencies of the biosorbent were found to be 70, and 58%, respectively meaning that the biosorbent had sufficiently high reusability performance as a clean-up tool. Copyright © 2017 Elsevier Ltd. All rights reserved.

Improving Bone Formation in a Rat Femur Segmental Defect by Controlling Bone Morphogenetic Protein-2 Release

DTIC Science & Technology

2011-04-01

tissue and polymer: mineralized tissue stained dark green, osteoid and collagen bright red, soft tissue pink to light green, and erythrocytes bright...of bone, soft tissue , and polymer, high-resolution digital images were acquired at 1.25 · or 20 · . The area of interest comprising the bone defect...bone, soft tissue , and polymer (when present) within the defect were quantified using Metamorph software (Molecular Devices, Inc.) and were calculated

Reliability Analysis of a Green Roof Under Different Storm Scenarios

NASA Astrophysics Data System (ADS)

William, R. K.; Stillwell, A. S.

2015-12-01

Urban environments continue to face the challenges of localized flooding and decreased water quality brought on by the increasing amount of impervious area in the built environment. Green infrastructure provides an alternative to conventional storm sewer design by using natural processes to filter and store stormwater at its source. However, there are currently few consistent standards available in North America to ensure that installed green infrastructure is performing as expected. This analysis offers a method for characterizing green roof failure using a visual aid commonly used in earthquake engineering: fragility curves. We adapted the concept of the fragility curve based on the efficiency in runoff reduction provided by a green roof compared to a conventional roof under different storm scenarios. We then used the 2D distributed surface water-groundwater coupled model MIKE SHE to model the impact that a real green roof might have on runoff in different storm events. We then employed a multiple regression analysis to generate an algebraic demand model that was input into the Matlab-based reliability analysis model FERUM, which was then used to calculate the probability of failure. The use of reliability analysis as a part of green infrastructure design code can provide insights into green roof weaknesses and areas for improvement. It also supports the design of code that is more resilient than current standards and is easily testable for failure. Finally, the understanding of reliability of a single green roof module under different scenarios can support holistic testing of system reliability.

Transmission eigenchannels from nonequilibrium Green's functions

NASA Astrophysics Data System (ADS)

Paulsson, Magnus; Brandbyge, Mads

2007-09-01

The concept of transmission eigenchannels is described in a tight-binding nonequilibrium Green’s function (NEGF) framework. A simple procedure for calculating the eigenchannels is derived using only the properties of the device subspace and quantities normally available in a NEGF calculation. The method is exemplified by visualization in real space of the eigenchannels for three different molecular and atomic wires.

Analysis of dynamic thresholds for the normalized difference water index

USGS Publications Warehouse

Ji, Lei; Zhang, Li; Wylie, Bruce K.

2009-01-01

The normalized difference water index (NDWI) has been successfully used to delineate surface water features. However, two major problems have been often encountered: (a) NDWIs calculated from different band combinations [visible, nearinfrared, or shortwave-infrared (SWIR)] can generate different results, and (b) NDWI thresholds vary depending on the proportions of subpixel water/non-water components. We need to evaluate all the NDWIS for determining the best performing index and to establish appropriate thresholds for clearly identifying water features. We used the spectral data obtained from a spectral library to simulate the satellite sensors Landsat ETM+, SPOT-5, ASTER, and MODIS, and calculated the simulated NDWI in different forms. We found that the NDWI calculated from (green - swm)/(green + SWIR), where SWIR is the shorter wavelength region (1.2 to 1.8 ??m), has the most stable threshold. We recommend this NDWI be employed for mapping water, but adjustment of the threshold based on actual situations is necessary. ?? 2009 American Society for Photogrammetry and Remote Sensing.

Microscopic theoretical study of frequency dependent dielectric constant of heavy fermion systems

NASA Astrophysics Data System (ADS)

Shadangi, Keshab Chandra; Rout, G. C.

2017-05-01

The dielectric polarization and the dielectric constant plays a vital role in the deciding the properties of the Heavy Fermion Systems. In the present communication we consider the periodic Anderson's Model which consists of conduction electron kinetic energy, localized f-electron kinetic energy and the hybridization between the conduction and localized electrons, besides the Coulomb correlation energy. We calculate dielectric polarization which involves two particle Green's functions which are calculated by using Zubarev's Green's function technique. Using the equations of motion of the fermion electron operators. Finally, the temperature and frequency dependent dielectric constant is calculated from the dielectric polarization function. The charge susceptibility and dielectric constant are computed numerically for different physical parameters like the position (Ef) of the f-electron level with respect to fermi level, the strength of the hybridization (V) between the conduction and localized f-electrons, Coulomb correlation potential temperature and optical phonon wave vector (q). The results will be discussed in a reference to the experimental observations of the dielectric constants.

Spectral reflectance inversion with high accuracy on green target

NASA Astrophysics Data System (ADS)

Jiang, Le; Yuan, Jinping; Li, Yong; Bai, Tingzhu; Liu, Shuoqiong; Jin, Jianzhou; Shen, Jiyun

2016-09-01

Using Landsat-7 ETM remote sensing data, the inversion of spectral reflectance of green wheat in visible and near infrared waveband in Yingke, China is studied. In order to solve the problem of lower inversion accuracy, custom atmospheric conditions method based on moderate resolution transmission model (MODTRAN) is put forward. Real atmospheric parameters are considered when adopting this method. The atmospheric radiative transfer theory to calculate atmospheric parameters is introduced first and then the inversion process of spectral reflectance is illustrated in detail. At last the inversion result is compared with simulated atmospheric conditions method which was a widely used method by previous researchers. The comparison shows that the inversion accuracy of this paper's method is higher in all inversion bands; the inversed spectral reflectance curve by this paper's method is more similar to the measured reflectance curve of wheat and better reflects the spectral reflectance characteristics of green plant which is very different from green artificial target. Thus, whether a green target is a plant or artificial target can be judged by reflectance inversion based on remote sensing image. This paper's research is helpful for the judgment of green artificial target hidden in the greenery, which has a great significance on the precise strike of green camouflaged weapons in military field.

A key role for green rust in the Precambrian oceans and the genesis of iron formations

NASA Astrophysics Data System (ADS)

Halevy, I.; Alesker, M.; Schuster, E. M.; Popovitz-Biro, R.; Feldman, Y.

2017-01-01

Iron formations deposited in marine settings during the Precambrian represent large sinks of iron and silica, and have been used to reconstruct environmental conditions at the time of their formation. However, the observed mineralogy in iron formations, which consists of iron oxides, silicates, carbonates and sulfides, is generally thought to have arisen from diagenesis of one or more mineral precursors. Ferric iron hydroxides and ferrous carbonates and silicates have been identified as prime candidates. Here we investigate the potential role of green rust, a ferrous-ferric hydroxy salt, in the genesis of iron formations. Our laboratory experiments show that green rust readily forms in early seawater-analogue solutions, as predicted by thermodynamic calculations, and that it ages into minerals observed in iron formations. Dynamic models of the iron cycle further indicate that green rust would have precipitated near the iron redoxcline, and it is expected that when the green rust sank it transformed into stable phases within the water column and sediments. We suggest, therefore, that the precipitation and transformation of green rust was a key process in the iron cycle, and that the interaction of green rust with various elements should be included in any consideration of Precambrian biogeochemical cycles.

Cost-Benefit Analysis of Green Infrastructures on Community Stormwater Reduction and Utilization: A Case of Beijing, China.

PubMed

Liu, Wen; Chen, Weiping; Feng, Qi; Peng, Chi; Kang, Peng

2016-12-01

Cost-benefit analysis is demanded for guiding the plan, design and construction of green infrastructure practices in rapidly urbanized regions. We developed a framework to calculate the costs and benefits of different green infrastructures on stormwater reduction and utilization. A typical community of 54,783 m 2 in Beijing was selected for case study. For the four designed green infrastructure scenarios (green space depression, porous brick pavement, storage pond, and their combination), the average annual costs of green infrastructure facilities are ranged from 40.54 to 110.31 thousand yuan, and the average of the cost per m 3 stormwater reduction and utilization is 4.61 yuan. The total average annual benefits of stormwater reduction and utilization by green infrastructures of the community are ranged from 63.24 to 250.15 thousand yuan, and the benefit per m 3 stormwater reduction and utilization is ranged from 5.78 to 11.14 yuan. The average ratio of average annual benefit to cost of four green infrastructure facilities is 1.91. The integrated facilities had the highest economic feasibility with a benefit to cost ratio of 2.27, and followed by the storage pond construction with a benefit to cost ratio of 2.14. The results suggested that while the stormwater reduction and utilization by green infrastructures had higher construction and maintenance costs, their comprehensive benefits including source water replacements benefits, environmental benefits and avoided cost benefits are potentially interesting. The green infrastructure practices should be promoted for sustainable management of urban stormwater.

Calculation of shear viscosity using Green-Kubo relations within a parton cascade

NASA Astrophysics Data System (ADS)

Wesp, C.; El, A.; Reining, F.; Xu, Z.; Bouras, I.; Greiner, C.

2011-11-01

The shear viscosity of a gluon gas is calculated using the Green-Kubo relation. Time correlations of the energy-momentum tensor in thermal equilibrium are extracted from microscopic simulations using a parton cascade solving various Boltzmann collision processes. We find that the perturbation-QCD- (pQCD-) based gluon bremsstrahlung described by Gunion-Bertsch processes significantly lowers the shear viscosity by a factor of 3 to 8 compared to elastic scatterings. The shear viscosity scales with the coupling as η˜1/[αs2log(1/αs)]. For constant αs the shear viscosity to entropy density ratio η/s has no dependence on temperature. Replacing the pQCD-based collision angle distribution of binary scatterings by an isotropic form decreases the shear viscosity by a factor of 3.

Inter- and intra-group compositional variations in Apollo 15 pyroclastic green glass - An electron- and ion-microprobe study

NASA Technical Reports Server (NTRS)

Galbreath, K. C.; Shearer, C. K.; Papike, J. J.; Shimizu, N.

1990-01-01

Results are presented on major- and trace-element abundance analyses of Apollo 15 pyroclastic green glasses from groups A, B, C, D, and E, carried out using electron- and ion-microprobe techniques. The diagrams depicting Sr, Zr, Ba, and Nd vs Co variations indicate the presence of a high-Co trend in groups A and D and a low-Co trend in groups B and C. Group-E glasses were found to be significantly enriched in Sr, relative to the other four glass groups. Chemical data of this study were integrated with previous data to evaluate various magmatic processes that have been proposed in the past to explain chemical variations in the lunar green glass. Results of calculations using a source mixing model suggest that the Apollo 15 green glasses represent multiple eruptive events from three chemically distinct but compositionally variable source regions.

Comparison of Metabolomics Approaches for Evaluating the Variability of Complex Botanical Preparations: Green Tea (Camellia sinensis) as a Case Study.

PubMed

Kellogg, Joshua J; Graf, Tyler N; Paine, Mary F; McCune, Jeannine S; Kvalheim, Olav M; Oberlies, Nicholas H; Cech, Nadja B

2017-05-26

A challenge that must be addressed when conducting studies with complex natural products is how to evaluate their complexity and variability. Traditional methods of quantifying a single or a small range of metabolites may not capture the full chemical complexity of multiple samples. Different metabolomics approaches were evaluated to discern how they facilitated comparison of the chemical composition of commercial green tea [Camellia sinensis (L.) Kuntze] products, with the goal of capturing the variability of commercially used products and selecting representative products for in vitro or clinical evaluation. Three metabolomic-related methods-untargeted ultraperformance liquid chromatography-mass spectrometry (UPLC-MS), targeted UPLC-MS, and untargeted, quantitative 1 HNMR-were employed to characterize 34 commercially available green tea samples. Of these methods, untargeted UPLC-MS was most effective at discriminating between green tea, green tea supplement, and non-green-tea products. A method using reproduced correlation coefficients calculated from principal component analysis models was developed to quantitatively compare differences among samples. The obtained results demonstrated the utility of metabolomics employing UPLC-MS data for evaluating similarities and differences between complex botanical products.

The design of traffic signal coordinated control

NASA Astrophysics Data System (ADS)

Guo, Xueting; Sun, Hongsheng; Wang, Xifu

2017-05-01

Traffic as the tertiary industry is an important pillar industry to support the normal development of the economy. But now China's road traffic development and economic development has shown a great imbalance and fault phenomenon, which greatly inhibited the normal development of China's economy. Now in many large and medium-sized cities in China are implementing green belt construction. The so-called green band is when the road conditions to meet the conditions for the establishment of the green band, the sections of the intersection of several planning to a traffic coordination control system, so that when the driver at a specific speed can be achieved without stopping the continuous Through the intersection. Green belt can effectively reduce the delay and queuing length of vehicle driving, the normal function of urban roads and reduce the economic losses caused by traffic congestion is a great help. In this paper, the theoretical basis of the design of the coordinated control system is described. Secondly, the green time offset is calculated by the analytic method and the green band is established. And then the VISSIM software is used to simulate the traffic system before and after the improvement. Finally, the results of the two simulations are compared.

Comparison of Metabolomics Approaches for Evaluating the Variability of Complex Botanical Preparations: Green Tea (Camellia sinensis) as a Case Study

PubMed Central

2017-01-01

A challenge that must be addressed when conducting studies with complex natural products is how to evaluate their complexity and variability. Traditional methods of quantifying a single or a small range of metabolites may not capture the full chemical complexity of multiple samples. Different metabolomics approaches were evaluated to discern how they facilitated comparison of the chemical composition of commercial green tea [Camellia sinensis (L.) Kuntze] products, with the goal of capturing the variability of commercially used products and selecting representative products for in vitro or clinical evaluation. Three metabolomic-related methods—untargeted ultraperformance liquid chromatography–mass spectrometry (UPLC-MS), targeted UPLC-MS, and untargeted, quantitative 1HNMR—were employed to characterize 34 commercially available green tea samples. Of these methods, untargeted UPLC-MS was most effective at discriminating between green tea, green tea supplement, and non-green-tea products. A method using reproduced correlation coefficients calculated from principal component analysis models was developed to quantitatively compare differences among samples. The obtained results demonstrated the utility of metabolomics employing UPLC-MS data for evaluating similarities and differences between complex botanical products. PMID:28453261

Green thunderstorms

NASA Astrophysics Data System (ADS)

Gallagher, Frank Woolsey, III

Many people around the world have observed green light apparently emanating from severe thunderstorms, but until recently there has been no scientific study of the phenomenon. Green thunderstorms have been observed from time to time in association with deep convection or severe weather events. Some skeptics who have not personally observed a green thunderstorm suggest that they are some kind of illusion. The existence of green thunderstorms has been objectively demonstrated by recording spectra of light from thunderstorms using a handheld spectrophotometer. During the spring and summer of 1995 and the spring of 1996 numerous storms were observed and spectra of the light emanating from these storms were recorded. Observations were made both at the ground and aboard research aircraft. Furthermore, time series of spectra were recorded as the observed color of some storms changed from dark blue to a bluish-green. Several hypotheses have been advanced to explain the occurrence of green light in connection with severe storms. Fankhauser gave some observational support to the belief that green light from thunderstorms is possible and believed that the source of the light is from the blue sky penetrating thin regions in the clouds. Fraser believes that light from the setting sun, in combination with the process of scattering by atmospheric molecules, creates the green light associated with severe weather and the thunderstorm acts only as a black backdrop. Unfortunately, no cloud illuminated by the sun is black and the green airlight produced by the Fraser theory is in reality overwhelmed by light reflected by the cloud. Often the unusual coloration has been attributed to hail or to reflection of light from foliage on the ground. The quantitative measurements made during the observation period fail to support these assumptions. We have observed thunderstorms to be green over ground that was not green and we have observed blue thunderstorms over ground that was green. Finally, Bohren believes that reddened sunlight in combination with filtering done by naturally blue-colored water creates green light. Given our observations, this is the most likely explanation for the green light. Our observations and calculations indicate that, depending on the microphysical parameters of the cloud, sunlight transmitted by the cloud may appear green.

Exact Green's function method of solar force-free magnetic-field computations with constant alpha. I - Theory and basic test cases

NASA Technical Reports Server (NTRS)

Chiu, Y. T.; Hilton, H. H.

1977-01-01

Exact closed-form solutions to the solar force-free magnetic-field boundary-value problem are obtained for constant alpha in Cartesian geometry by a Green's function approach. The uniqueness of the physical problem is discussed. Application of the exact results to practical solar magnetic-field calculations is free of series truncation errors and is at least as economical as the approximate methods currently in use. Results of some test cases are presented.

Laplace transforms of the Hulthén Green's function and their application to potential scattering

NASA Astrophysics Data System (ADS)

Laha, U.; Ray, S.; Panda, S.; Bhoi, J.

2017-10-01

We derive closed-form representations for the single and double Laplace transforms of the Hulthén Green's function of the outgoing wave multiplied by the Yamaguchi potential and write them in the maximally reduced form. We use the expression for the double transform to compute the low-energy phase shifts for the elastic scattering in the systems α-nucleon, α-He3, and α-H3. The calculation results agree well with the experimental data.

Green space definition affects associations of green space with overweight and physical activity.

PubMed

Klompmaker, Jochem O; Hoek, Gerard; Bloemsma, Lizan D; Gehring, Ulrike; Strak, Maciej; Wijga, Alet H; van den Brink, Carolien; Brunekreef, Bert; Lebret, Erik; Janssen, Nicole A H

2018-01-01

In epidemiological studies, exposure to green space is inconsistently associated with being overweight and physical activity, possibly because studies differ widely in their definition of green space exposure, inclusion of important confounders, study population and data analysis. We evaluated whether the association of green space with being overweight and physical activity depended upon definition of greenspace. We conducted a cross-sectional study using data from a Dutch national health survey of 387,195 adults. Distance to the nearest park entrance and surrounding green space, based on the Normalized Difference Vegetation Index (NDVI) or a detailed Dutch land-use database (TOP10NL), was calculated for each residential address. We used logistic regression analyses to study the association of green space exposure with being overweight and being moderately or vigorously physically active outdoors at least 150min/week (self-reported). To study the shape of the association, we specified natural splines and quintiles. The distance to the nearest park entrance was not associated with being overweight or outdoor physical activity. Associations of surrounding green space with being overweight or outdoor physical activity were highly non-linear. For NDVI surrounding greenness, we observed significantly decreased odds of being overweight [300m buffer, odds ratio (OR) = 0.88; 95% CI: 0.86, 0.91] and increased odds for outdoor physical activity [300m buffer, OR = 1.14; 95% CI: 1.10, 1.17] in the highest quintile compared to the lowest quintile. For TOP10NL surrounding green space, associations were mostly non-significant. Associations were generally stronger for subjects living in less urban areas and for the smaller buffers. Associations of green space with being overweight and outdoor physical activity differed considerably between different green space definitions. Associations were strongest for NDVI surrounding greenness. Copyright © 2017 The Authors. Published by Elsevier Inc. All rights reserved.

Could essential oils of green and black pepper be used as food preservatives?

PubMed

Nikolić, Miloš; Stojković, Dejan; Glamočlija, Jasmina; Ćirić, Ana; Marković, Tatjana; Smiljković, Marija; Soković, Marina

2015-10-01

Black and green pepper essential oils were used in this study in order to determine the chemical composition, in vitro antimicrobial activity against food spoilage microorganisms and in situ oils effect on food microorganism, after incorporation in chicken soup, by suggested methodology for calculation of Growth inhibition concentrations (GIC50). Chemical analysis revealed a total of 34 components. The major constituent of black pepper oil was trans-caryophyllene (30.33 %), followed by limonene (12.12 %), while β-pinene (24.42 %), δ(3)-carene (19.72 %), limonene (18.73 %) and α-pinene (10.39 %) were dominant compounds in green pepper oil. Antimicrobial activity was determined by microdilution technique and minimal inhibitory (MIC) and minimal bactericidal/fungicidal concentrations (MBC/MFC) were determined. Green pepper oil showed stronger antibacterial and antifungal activity (MIC 0.50-1.87; MBC 0.63-2.5 mg/ml; MIC 0.07-0.16; MFC 0.13-1.25 mg/ml) against black pepper oil (MIC 0.07-3.75; MBC 0.60-10.00 mg/ml; MIC 0.63-5.00; MFC 1.25-10.00 mg/ml. Oils successfully inhibited the growth of S. aureus in chicken soup in a dose dependent manner. GIC50 values were calculated after 24, 48 and 72 h and were in range of 0.156-0.689 mg/ml. The 50 % inhibitory concentrations (IC50) of EOs were 36.84 and 38.77 mg/ml with in 2, 2-diphenyl-1-picrylhydrazyl (DPPH) assay respectively. The obtained results revealed that black and green pepper volatiles are efficient in controlling the growth of known food-spoilage microorganisms.

An Approach for Validating Actinide and Fission Product Burnup Credit Criticality Safety Analyses--Criticality (keff) Predictions

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

Scaglione, John M; Mueller, Don; Wagner, John C

2011-01-01

One of the most significant remaining challenges associated with expanded implementation of burnup credit in the United States is the validation of depletion and criticality calculations used in the safety evaluation - in particular, the availability and use of applicable measured data to support validation, especially for fission products. Applicants and regulatory reviewers have been constrained by both a scarcity of data and a lack of clear technical basis or approach for use of the data. U.S. Nuclear Regulatory Commission (NRC) staff have noted that the rationale for restricting their Interim Staff Guidance on burnup credit (ISG-8) to actinide-only ismore » based largely on the lack of clear, definitive experiments that can be used to estimate the bias and uncertainty for computational analyses associated with using burnup credit. To address the issue of validation, the NRC initiated a project with the Oak Ridge National Laboratory to (1) develop and establish a technically sound validation approach (both depletion and criticality) for commercial spent nuclear fuel (SNF) criticality safety evaluations based on best-available data and methods and (2) apply the approach for representative SNF storage and transport configurations/conditions to demonstrate its usage and applicability, as well as to provide reference bias results. The purpose of this paper is to describe the criticality (k{sub eff}) validation approach, and resulting observations and recommendations. Validation of the isotopic composition (depletion) calculations is addressed in a companion paper at this conference. For criticality validation, the approach is to utilize (1) available laboratory critical experiment (LCE) data from the International Handbook of Evaluated Criticality Safety Benchmark Experiments and the French Haut Taux de Combustion (HTC) program to support validation of the principal actinides and (2) calculated sensitivities, nuclear data uncertainties, and the limited available fission product LCE data to predict and verify individual biases for relevant minor actinides and fission products. This paper (1) provides a detailed description of the approach and its technical bases, (2) describes the application of the approach for representative pressurized water reactor and boiling water reactor safety analysis models to demonstrate its usage and applicability, (3) provides reference bias results based on the prerelease SCALE 6.1 code package and ENDF/B-VII nuclear cross-section data, and (4) provides recommendations for application of the results and methods to other code and data packages.« less

Calculating the carbon emissions associated with San Jose's Green Vision goals

NASA Astrophysics Data System (ADS)

Cordero, E. C.; Prada, L.

2010-12-01

In 2007, the City of San Jose adopted a Green Vision that includes 10 measurable goals, which aim to promote job growth in clean tech and preserve the environment. The goals include a 50% reduction of per capita energy use, a 100% diversion of waste from landfill, a 100% recycling or reuse of wastewater, and the building or retro fitting of 50 million square feet of green buildings. While there are clear benefits from these initiatives, it is unclear how these changes will affect emissions of greenhouse gases and what contribution the Green Vision will have on the total carbon emissions of the city. Using San Jose as a case study this work will first estimate citywide baseline carbon emissions using data from the last decade. We then will describe efforts to compute the change in carbon emissions associated with each of the city’s green vision goals. The intention of this work is to develop a set of metrics that other cities and institutions can use to better quantify the carbon emissions associated with their current and future ‘green’ initiatives.

SU-C-207-02: A Method to Estimate the Average Planar Dose From a C-Arm CBCT Acquisition

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

Supanich, MP

2015-06-15

Purpose: The planar average dose in a C-arm Cone Beam CT (CBCT) acquisition had been estimated in the past by averaging the four peripheral dose measurements in a CTDI phantom and then using the standard 2/3rds peripheral and 1/3 central CTDIw method (hereafter referred to as Dw). The accuracy of this assumption has not been investigated and the purpose of this work is to test the presumed relationship. Methods: Dose measurements were made in the central plane of two consecutively placed 16cm CTDI phantoms using a 0.6cc ionization chamber at each of the 4 peripheral dose bores and in themore » central dose bore for a C-arm CBCT protocol. The same setup was scanned with a circular cut-out of radiosensitive gafchromic film positioned between the two phantoms to capture the planar dose distribution. Calibration curves for color pixel value after scanning were generated from film strips irradiated at different known dose levels. The planar average dose for red and green pixel values was calculated by summing the dose values in the irradiated circular film cut out. Dw was calculated using the ionization chamber measurements and film dose values at the location of each of the dose bores. Results: The planar average dose using both the red and green pixel color calibration curves were within 10% agreement of the planar average dose estimated using the Dw method of film dose values at the bore locations. Additionally, an average of the planar average doses calculated using the red and green calibration curves differed from the ionization chamber Dw estimate by only 5%. Conclusion: The method of calculating the planar average dose at the central plane of a C-arm CBCT non-360 rotation by calculating Dw from peripheral and central dose bore measurements is a reasonable approach to estimating the planar average dose. Research Grant, Siemens AG.« less

Morbidity is related to a green living environment.

PubMed

Maas, J; Verheij, R A; de Vries, S; Spreeuwenberg, P; Schellevis, F G; Groenewegen, P P

2009-12-01

As a result of increasing urbanisation, people face the prospect of living in environments with few green spaces. There is increasing evidence for a positive relation between green space in people's living environment and self-reported indicators of physical and mental health. This study investigates whether physician-assessed morbidity is also related to green space in people's living environment. Morbidity data were derived from electronic medical records of 195 general practitioners in 96 Dutch practices, serving a population of 345,143 people. Morbidity was classified by the general practitioners according to the International Classification of Primary Care. The percentage of green space within a 1 km and 3 km radius around the postal code coordinates was derived from an existing database and was calculated for each household. Multilevel logistic regression analyses were performed, controlling for demographic and socioeconomic characteristics. The annual prevalence rate of 15 of the 24 disease clusters was lower in living environments with more green space in a 1 km radius. The relation was strongest for anxiety disorder and depression. The relation was stronger for children and people with a lower socioeconomic status. Furthermore, the relation was strongest in slightly urban areas and not apparent in very strongly urban areas. This study indicates that the previously established relation between green space and a number of self-reported general indicators of physical and mental health can also be found for clusters of specific physician-assessed morbidity. The study stresses the importance of green space close to home for children and lower socioeconomic groups.

Micrometeorological Mass Balance Measurements of Greenhouse Gas Emissions from Composting Green-waste

NASA Astrophysics Data System (ADS)

Kent, E. R.; Bailey, S.; Stephens, J.; Horwath, W. R.; Paw U, K.

2013-12-01

Managed decomposition of organic materials is increasingly being used as an alternative waste management option and the resulting compost can be used as a fertilizer and soil amendment in home gardens and agriculture. An additional benefit is the avoidance of methane emissions associated with anaerobic decomposition in landfills. Greenhouse gases are still emitted during the composting process, but few studies have measured emissions from a full-scale windrow of composting green-waste. This study uses a micrometeorological mass balance technique (upwind and downwind vertical profile measurements of trace gas concentrations and wind velocity) to calculate emissions of carbon dioxide, methane, and nitrous oxide from a pile of composting green-waste during the dry season in Northern California. The expected source pattern was observed in measured upwind-downwind concentration differences of all three gases averaged over the study period despite substantial noise seen in the half-hourly emission calculations. Sources of uncertainty are investigated and temporal patterns analyzed. An in-situ zero-source test was conducted to examine the mass balance technique when the source of emissions was removed. Results from the micrometeorological mass balance measurements are compared with measurements taken using the more common open chamber technique.

Innovative Environmental Protection Tools

EPA Pesticide Factsheets

Local decision makers and citizens can make use of EPA tools for interacting with and learning about their local environments with tools that include green apps, My Environment, the National Stormwater Calculator, EPEAT, and EnvirFacts.

Non-equilibrium Green's function calculation of AlGaAs-well-based and GaSb-based terahertz quantum cascade laser structures

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

Yasuda, H., E-mail: yasuda@nict.go.jp; Hosako, I.

2015-03-16

We investigate the performance of terahertz quantum cascade lasers (THz-QCLs) based on Al{sub x}Ga{sub 1−x}As/Al{sub y}Ga{sub 1−y}As and GaSb/AlGaSb material systems to realize higher-temperature operation. Calculations with the non-equilibrium Green's function method reveal that the AlGaAs-well-based THz-QCLs do not show improved performance, mainly because of alloy scattering in the ternary compound semiconductor. The GaSb-based THz-QCLs offer clear advantages over GaAs-based THz-QCLs. Weaker longitudinal optical phonon–electron interaction in GaSb produces higher peaks in the spectral functions of the lasing levels, which enables more electrons to be accumulated in the upper lasing level.

AB INITIO calculation of the electromigration wind valence of interstitial hydrogen in f.c.c metals

NASA Astrophysics Data System (ADS)

van Ek, J.; Lodder, A.

1990-02-01

Calculated electromigration wind valences, obtained within a KKR-Green function description, are presented. It is shown that the electromigration wind valence of hydrogen along different migration paths in Cu, Ag and Pd can be calculated including charge transfer effects in the impurity cluster. A nice procedure for retrieving the scalar character of the wind valence in an f.c.c metal introduces an explanation for the isotope effect in the wind valence.

Science in Action: National Stormwater Calculator (SWC) ...

EPA Pesticide Factsheets

Stormwater discharges continue to cause impairment of our Nation’s waterbodies. Regulations that require the retention and/or treatment of frequent, small storms that dominate runoff volumes and pollutant loads are becoming more common. EPA has developed the National Stormwater Calculator (SWC) to help support local, state, and national stormwater management objectives to reduce runoff through infiltration and retention using green infrastructure practices as low impact development (LID) controls. To inform the public on what the Stormwater Calculator is used for.

GPCR6A Is a Molecular Target for the Natural Products Gallate and EGCG in Green Tea.

PubMed

Pi, Min; Kapoor, Karan; Ye, Ruisong; Smith, Jeremy C; Baudry, Jerome; Quarles, Leigh D

2018-04-01

The molecular mechanisms whereby gallates in green tea exert metabolic effects are poorly understood. We found that GPRC6A, a multi-ligand-sensing G-protein-coupled receptor that regulates energy metabolism, sex hormone production, and prostate cancer progression, is a target for gallates. Sodium gallate (SG), gallic acid (GA) > ethyl gallate (EG) > octyl gallate (OG) dose dependently activated ERK in HEK-293 cells transfected with GPRC6A but not in non-transfected controls. SG also stimulated insulin secretion in β-cells isolated from wild-type mice similar to the endogenous GPRC6A ligands, osteocalcin (Ocn) and testosterone (T). Side-chain additions to create OG resulted in loss of GPRC6A agonist activity. Another component of green tea, epigallocatechin 3-gallate (EGCG), dose-dependently inhibited Ocn activation of GPRC6A in HEK-293 cells transfected with GPRC6A and blocked the effect of Ocn in stimulating glucose production in CH10T1/2 cells. Using structural models of the venus fly trap (VFT) and 7-transmembrane (7-TM) domains of GPRC6A, calculations suggest that l-amino acids and GA bind to the VFT, whereas EGCG is calculated to bind to sites in both the VFT and 7-TM. GA and EGCG have offsetting agonist and antagonist effects on GPRC6A that may account for the variable metabolic effect of green tea consumption. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Optical spectroscopy and luminescence properties of Ho3+ doped zinc fluorophosphate (ZFP) glasses for green luminescent device applications

NASA Astrophysics Data System (ADS)

Reddy Prasad, V.; Damodaraiah, S.; Ratnakaram, Y. C.

2018-04-01

Ho3+ doped zinc fluorophosphate (ZFP) glasses with molar chemical compositions, (60-x) NH4H2PO4+20ZnO+10BaF2+10NaF+xHo2O3 (where x = 0.1, 0.3, 0.5, 1.0 and 1.5 mol%) were prepared by melt quenching technique. These glasses were characterized through physical, structural, optical, excitation, luminescence and decay curve analysis. From the absorption spectra, spectral intensities (fexp and fcal), Judd-Ofelt intensity parameters (Ω2, Ω4 and Ω6), radiative transition probabilities (AT), radiative lifetimes (τR) and branching ratios (βR) were evaluated for all Ho3+ doped ZFP glass matrices. From the photoluminescence spectra, peak stimulated emission cross-sections (σP) were calculated for all Ho3+ doped ZFP glasses. The Ho3+ doped ZFP glasses show strong green emission at 545 nm and red emission at 656 nm under excitation, 450 nm. The measured lifetimes (τmeas) of (5S2)5F4 level of Ho3+ doped ZFP glasses were obtained from decay profiles. The CIE color coordinates of Ho3+ doped ZFP glasses were calculated from emission spectra and 1.0 mol% of Ho3+ doped ZFP glass matrix gives green emission. Hence, these results confirm that the Ho3+ doped ZFP glasses could be considered as a promising candidate for visible green laser applications.

Health risk evaluation of heavy metals in green land soils from urban parks in Urumqi, northwest China.

PubMed

Zhaoyong, Zhang; Xiaodong, Yang; Simay, Zibibula; Mohammed, Anwar

2018-02-01

Here, we sampled, tested, and analyzed heavy metals in soil obtained from green land in urban parks of Urumqi. Analysis included soil nutrient contents, particle size distribution, and health risks of heavy metal contaminants. Results showed that (1) organic matter and rapidly available phosphorus contents of all samples ranged from 6.07-58.34 and 6.52-116.15 mg/kg, with average values of 31.26 and 36.24 mg/kg, respectively; (2) silt (particle size 20-200 μm) comprised most of the particle distribution, accounting for 46.56-87.38% of the total, and the remaining particles were clay particles (0-20 μm) and sand (200-2000 μm); (3) calculations of HQ ing , HQ inh , and HQ derm for eight heavy metals in three exposure patterns revealed values less than 1 for children and adults, indicating a level of carcinogenic risk for these heavy metals; and (4) calculating the carcinogenic risks of nickel, chromium, and cadmium through breathing pathway indicating no potential carcinogenic risk for any of the three. This research showed high soil nutrient content, providing fertile ground for plant growth in the green land of these urban parks. However, measures such as using sprinklers and increased green vegetation areas have been proposed to improve soil texture. This research can serve as a reference point for soil environmental protection efforts as well as future plant growth in urban Urumqi parks.

Green tea and black tea consumption and prostate cancer risk: an exploratory meta-analysis of observational studies.

PubMed

Zheng, Jusheng; Yang, Bin; Huang, Tao; Yu, Yinghua; Yang, Jing; Li, Duo

2011-01-01

Observational studies on tea consumption and prostate cancer (PCa) risk are still inconsistent. The authors conducted a meta-analysis to investigate the association between green tea and black tea consumption with PCa risk. Thirteen studies providing data on green tea or black tea consumption were identified by searching PubMed and ISI Web of Science databases and secondary referencing qualified for inclusion. A random-effects model was used to calculate the summary odds ratios (OR) and their corresponding 95% confidence intervals (CIs). For green tea, the summary OR of PCa indicated a borderline significant association in Asian populations for highest green tea consumption vs. non/lowest (OR = 0.62; 95% CI: 0.38-1.01); and the pooled estimate reached statistically significant level for case-control studies (OR = 0.43; 95% CI: 0.25-0.73), but not for prospective cohort studies (OR = 1.00; 95% CI: 0.66-1.53). For black tea, no statistically significant association was observed for the highest vs. non/lowest black tea consumption (OR = 0.99; 95% CI: 0.82-1.20). In conclusion, this meta-analysis supported that green tea but not black tea may have a protective effect on PCa, especially in Asian populations. Further research regarding green tea consumption across different regions apart from Asia is needed.

Assessing visual green effects of individual urban trees using airborne Lidar data.

PubMed

Chen, Ziyue; Xu, Bing; Gao, Bingbo

2015-12-01

Urban trees benefit people's daily life in terms of air quality, local climate, recreation and aesthetics. Among these functions, a growing number of studies have been conducted to understand the relationship between residents' preference towards local environments and visual green effects of urban greenery. However, except for on-site photography, there are few quantitative methods to calculate green visibility, especially tree green visibility, from viewers' perspectives. To fill this research gap, a case study was conducted in the city of Cambridge, which has a diversity of tree species, sizes and shapes. Firstly, a photograph-based survey was conducted to approximate the actual value of visual green effects of individual urban trees. In addition, small footprint airborne Lidar (Light detection and ranging) data was employed to measure the size and shape of individual trees. Next, correlations between visual tree green effects and tree structural parameters were examined. Through experiments and gradual refinement, a regression model with satisfactory R2 and limited large errors is proposed. Considering the diversity of sample trees and the result of cross-validation, this model has the potential to be applied to other study sites. This research provides urban planners and decision makers with an innovative method to analyse and evaluate landscape patterns in terms of tree greenness. Copyright © 2015 Elsevier B.V. All rights reserved.

Validation of Cross Sections with Criticality Experiment and Reaction Rates: the Neptunium Case

NASA Astrophysics Data System (ADS)

Leong, L. S.; Tassan-Got, L.; Audouin, L.; Berthier, B.; Le Naour, C.; Stéphan, C.; Paradela, C.; Tarrío, D.; Duran, I.

2014-04-01

The 237Np neutron-induced fission cross section has been recently measured in a large energy range (from eV to GeV) at the n_TOF facility at CERN. When compared to previous measurements the n_TOF fission cross section appears to be higher by 5-7% beyond the fission threshold. To check the relevance of the n_TOF data, we considered a criticality experiment performed at Los Alamos with a 6 kg sphere of 237Np, surrounded by uranium highly enriched in 235U so as to approach criticality with fast neutrons. The multiplication factor keff of the calculation is in better agreement with the experiment when we replace the ENDF/B-VII.0 evaluation of the 237Np fission cross section by the n_TOF data. We also explored the hypothesis of deficiencies of the inelastic cross section in 235U which has been invoked by some authors to explain the deviation of 750 pcm. The large modification needed to reduce the deviation seems to be incompatible with existing inelastic cross section measurements. Also we show that the νbar of 237Np can hardly be incriminated because of the high accuracy of the existing data. Fission rate ratios or averaged fission cross sections measured in several fast neutron fields seem to give contradictory results on the validation of the 237Np cross section but at least one of the benchmark experiments, where the active deposits have been well calibrated for the number of atoms, favors the n_TOF data set. These outcomes support the hypothesis of a higher fission cross section of 237Np.

Effects of reservoir heterogeneity on scaling of effective mass transfer coefficient for solute transport

NASA Astrophysics Data System (ADS)

Leung, Juliana Y.; Srinivasan, Sanjay

2016-09-01

Modeling transport process at large scale requires proper scale-up of subsurface heterogeneity and an understanding of its interaction with the underlying transport mechanisms. A technique based on volume averaging is applied to quantitatively assess the scaling characteristics of effective mass transfer coefficient in heterogeneous reservoir models. The effective mass transfer coefficient represents the combined contribution from diffusion and dispersion to the transport of non-reactive solute particles within a fluid phase. Although treatment of transport problems with the volume averaging technique has been published in the past, application to geological systems exhibiting realistic spatial variability remains a challenge. Previously, the authors developed a new procedure where results from a fine-scale numerical flow simulation reflecting the full physics of the transport process albeit over a sub-volume of the reservoir are integrated with the volume averaging technique to provide effective description of transport properties. The procedure is extended such that spatial averaging is performed at the local-heterogeneity scale. In this paper, the transport of a passive (non-reactive) solute is simulated on multiple reservoir models exhibiting different patterns of heterogeneities, and the scaling behavior of effective mass transfer coefficient (Keff) is examined and compared. One such set of models exhibit power-law (fractal) characteristics, and the variability of dispersion and Keff with scale is in good agreement with analytical expressions described in the literature. This work offers an insight into the impacts of heterogeneity on the scaling of effective transport parameters. A key finding is that spatial heterogeneity models with similar univariate and bivariate statistics may exhibit different scaling characteristics because of the influence of higher order statistics. More mixing is observed in the channelized models with higher-order continuity. It reinforces the notion that the flow response is influenced by the higher-order statistical description of heterogeneity. An important implication is that when scaling-up transport response from lab-scale results to the field scale, it is necessary to account for the scale-up of heterogeneity. Since the characteristics of higher-order multivariate distributions and large-scale heterogeneity are typically not captured in small-scale experiments, a reservoir modeling framework that captures the uncertainty in heterogeneity description should be adopted.

Optoelectronic pH Meter: Further Details

NASA Technical Reports Server (NTRS)

Jeevarajan, Antony S.; Anderson, Mejody M.; Macatangay, Ariel V.

2009-01-01

A collection of documents provides further detailed information about an optoelectronic instrument that measures the pH of an aqueous cell-culture medium to within 0.1 unit in the range from 6.5 to 7.5. The instrument at an earlier stage of development was reported in Optoelectronic Instrument Monitors pH in a Culture Medium (MSC-23107), NASA Tech Briefs, Vol. 28, No. 9 (September 2004), page 4a. To recapitulate: The instrument includes a quartz cuvette through which the medium flows as it is circulated through a bioreactor. The medium contains some phenol red, which is an organic pH-indicator dye. The cuvette sits between a light source and a photodetector. [The light source in the earlier version comprised red (625 nm) and green (558 nm) light-emitting diodes (LEDs); the light source in the present version comprises a single green- (560 nm)-or-red (623 nm) LED.] The red and green are repeatedly flashed in alternation. The responses of the photodiode to the green and red are processed electronically to obtain the ratio between the amounts of green and red light transmitted through the medium. The optical absorbance of the phenol red in the green light varies as a known function of pH. Hence, the pH of the medium can be calculated from the aforesaid ratio.

Variational treatment of electron-polyatomic-molecule scattering calculations using adaptive overset grids

NASA Astrophysics Data System (ADS)

Greenman, Loren; Lucchese, Robert R.; McCurdy, C. William

2017-11-01

The complex Kohn variational method for electron-polyatomic-molecule scattering is formulated using an overset-grid representation of the scattering wave function. The overset grid consists of a central grid and multiple dense atom-centered subgrids that allow the simultaneous spherical expansions of the wave function about multiple centers. Scattering boundary conditions are enforced by using a basis formed by the repeated application of the free-particle Green's function and potential Ĝ0+V ̂ on the overset grid in a Born-Arnoldi solution of the working equations. The theory is shown to be equivalent to a specific Padé approximant to the T matrix and has rapid convergence properties, in both the number of numerical basis functions employed and the number of partial waves employed in the spherical expansions. The method is demonstrated in calculations on methane and CF4 in the static-exchange approximation and compared in detail with calculations performed with the numerical Schwinger variational approach based on single-center expansions. An efficient procedure for operating with the free-particle Green's function and exchange operators (to which no approximation is made) is also described.

Electron transport in extended carbon-nanotube/metal contacts: Ab initio based Green function method

NASA Astrophysics Data System (ADS)

Fediai, Artem; Ryndyk, Dmitry A.; Cuniberti, Gianaurelio

2015-04-01

We have developed a new method that is able to predict the electrical properties of the source and drain contacts in realistic carbon nanotube field effect transistors (CNTFETs). It is based on large-scale ab initio calculations combined with a Green function approach. For the first time, both internal and external parts of a realistic CNT-metal contact are taken into account at the ab initio level. We have developed the procedure allowing direct calculation of the self-energy for an extended contact. Within the method, it is possible to calculate the transmission coefficient through a contact of both finite and infinite length; the local density of states can be determined in both free and embedded CNT segments. We found perfect agreement with the experimental data for Pd and Al contacts. We have explained why CNTFETs with Pd electrodes are p -type FETs with ohmic contacts, which can carry current close to the ballistic limit (provided contact length is large enough), whereas in CNT-Al contacts transmission is suppressed to a significant extent, especially for holes.

First-principles calculations of optical transitions at native defects and impurities in ZnO

NASA Astrophysics Data System (ADS)

Lyons, John L.; Varley, Joel B.; Janotti, Anderson; Van de Walle, Chris G.

2018-02-01

Optical spectroscopy is a powerful approach for detecting defects and impurities in ZnO, an important electronic material. However, knowledge of how common optical signals are linked with defects and impurities is still limited. The Cu-related green luminescence is among the best understood luminescence signals, but theoretical descriptions of Cu-related optical processes have not agreed with experiment. Regarding native defects, assigning observed lines to specific defects has proven very difficult. Using first-principles calculations, we calculate the properties of native defects and impurities in ZnO and their associated optical signals. Oxygen vacancies are predicted to give luminescence peaks lower than 1 eV; while related zinc dangling bonds can lead to luminescence near 2.4 eV. Zinc vacancies lead to luminescence peaks below 2 eV, as do the related oxygen dangling bonds. However, when complexed with hydrogen impurities, zinc vacancies can cause higher-energy transitions, up to 2.3 eV. We also find that the Cu-related green luminescence is related to a (+/0) deep donor transition level.

An Approach for Validating Actinide and Fission Product Burnup Credit Criticality Safety Analyses-Isotopic Composition Predictions

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

Radulescu, Georgeta; Gauld, Ian C; Ilas, Germina

2011-01-01

The expanded use of burnup credit in the United States (U.S.) for storage and transport casks, particularly in the acceptance of credit for fission products, has been constrained by the availability of experimental fission product data to support code validation. The U.S. Nuclear Regulatory Commission (NRC) staff has noted that the rationale for restricting the Interim Staff Guidance on burnup credit for storage and transportation casks (ISG-8) to actinide-only is based largely on the lack of clear, definitive experiments that can be used to estimate the bias and uncertainty for computational analyses associated with using burnup credit. To address themore » issues of burnup credit criticality validation, the NRC initiated a project with the Oak Ridge National Laboratory to (1) develop and establish a technically sound validation approach for commercial spent nuclear fuel (SNF) criticality safety evaluations based on best-available data and methods and (2) apply the approach for representative SNF storage and transport configurations/conditions to demonstrate its usage and applicability, as well as to provide reference bias results. The purpose of this paper is to describe the isotopic composition (depletion) validation approach and resulting observations and recommendations. Validation of the criticality calculations is addressed in a companion paper at this conference. For isotopic composition validation, the approach is to determine burnup-dependent bias and uncertainty in the effective neutron multiplication factor (keff) due to bias and uncertainty in isotopic predictions, via comparisons of isotopic composition predictions (calculated) and measured isotopic compositions from destructive radiochemical assay utilizing as much assay data as is available, and a best-estimate Monte Carlo based method. This paper (1) provides a detailed description of the burnup credit isotopic validation approach and its technical bases, (2) describes the application of the approach for representative pressurized water reactor and boiling water reactor safety analysis models to demonstrate its usage and applicability, (3) provides reference bias and uncertainty results based on a quality-assurance-controlled prerelease version of the Scale 6.1 code package and the ENDF/B-VII nuclear cross section data.« less

Cumulant Green's function calculations of plasmon satellites in bulk sodium: Influence of screening and the crystal environment

NASA Astrophysics Data System (ADS)

Zhou, Jianqiang Sky; Gatti, Matteo; Kas, J. J.; Rehr, J. J.; Reining, Lucia

2018-01-01

We present ab initio calculations of the photoemission spectra of bulk sodium using different flavors of the cumulant expansion approximation for the Green's function. In particular, we study the dispersion and intensity of the plasmon satellites. We show that the satellite spectrum is much more sensitive to many details than the quasiparticle spectrum, which suggests that the experimental investigation of satellites could yield additional information beyond the usual studies of the band structure. In particular, a comparison to the homogeneous electron gas shows that the satellites are influenced by the crystal environment, although the crystal potential in sodium is weak. Moreover, the temperature dependence of the lattice constant is reflected in the position of the satellites. Details of the screening also play an important role; in particular, the contribution of transitions from 2 s and 2 p semicore levels influences the satellites, but not the quasiparticle. Moreover, inclusion of contributions to the screening beyond the random-phase approximation has an effect on the satellites. Finally, we elucidate the importance of the coupling of electrons and holes by comparing the results of the time-ordered and the retarded cumulant expansion approximations. Again, we find small but noticeable differences. Since all the small effects add up, our most advanced calculation yields a satellite position which is improved with respect to previous calculations by almost 1 eV. This stresses the fact that the calculation of satellites is much more delicate than the calculation of a quasiparticle band structure.

Non-equilibrium Green's function calculation for GaN-based terahertz-quantum cascade laser structures

NASA Astrophysics Data System (ADS)

Yasuda, H.; Kubis, T.; Hosako, I.; Hirakawa, K.

2012-04-01

We theoretically investigated GaN-based resonant phonon terahertz-quantum cascade laser (QCL) structures for possible high-temperature operation by using the non-equilibrium Green's function method. It was found that the GaN-based THz-QCL structures do not necessarily have a gain sufficient for lasing, even though the thermal backfilling and the thermally activated phonon scattering are effectively suppressed. The main reason for this is the broadening of the subband levels caused by a very strong interaction between electrons and longitudinal optical (LO) phonons in GaN.

Green's function calculations for semi-infinite carbon nanotubes

NASA Astrophysics Data System (ADS)

John, D. L.; Pulfrey, D. L.

2006-02-01

In the modeling of nanoscale electronic devices, the non-equilibrium Green's function technique is gaining increasing popularity. One complication in this method is the need for computation of the self-energy functions that account for the interactions between the active portion of a device and its leads. In the one-dimensional case, these functions may be computed analytically. In higher dimensions, a numerical approach is required. In this work, we generalize earlier methods that were developed for tight-binding Hamiltonians, and present results for the case of a carbon nanotube.

Combination of complex momentum representation and Green's function methods in relativistic mean-field theory

NASA Astrophysics Data System (ADS)

Shi, Min; Niu, Zhong-Ming; Liang, Haozhao

2018-06-01

We have combined the complex momentum representation method with the Green's function method in the relativistic mean-field framework to establish the RMF-CMR-GF approach. This new approach is applied to study the halo structure of 74Ca. All the continuum level density of concerned resonant states are calculated accurately without introducing any unphysical parameters, and they are independent of the choice of integral contour. The important single-particle wave functions and densities for the halo phenomenon in 74Ca are discussed in detail.

Thermal conductivity calculation of nano-suspensions using Green-Kubo relations with reduced artificial correlations.

PubMed

Muraleedharan, Murali Gopal; Sundaram, Dilip Srinivas; Henry, Asegun; Yang, Vigor

2017-04-20

The presence of artificial correlations associated with Green-Kubo (GK) thermal conductivity calculations is investigated. The thermal conductivity of nano-suspensions is calculated by equilibrium molecular dynamics (EMD) simulations using GK relations. Calculations are first performed for a single alumina (Al 2 O 3 ) nanoparticle dispersed in a water medium. For a particle size of 1 nm and volume fraction of 9%, results show enhancements as high as 235%, which is much higher than the Maxwell model predictions. When calculations are done with multiple suspended particles, no such anomalous enhancement is observed. This is because the vibrations in alumina crystal can act as low frequency perturbations, which can travel long distances through the surrounding water medium, characterized by higher vibration frequencies. As a result of the periodic boundaries, they re-enter the system resulting in a circular resonance of thermal fluctuations between the alumina particle and its own image, eventually leading to artificial correlations in the heat current autocorrelation function (HCACF), which when integrated yields abnormally high thermal conductivities. Adding more particles presents 'obstacles' with which the fluctuations interact and get dissipated, before they get fed back to the periodic image. A systematic study of the temporal evolution of HCACF indicates that the magnitude and oscillations of artificial correlations decrease substantially with increase in the number of suspended nanoparticles.

Adjusting the tasseled cap brightness and greenness factors for atmospheric path radiance and absorption on a pixel by pixel basis

NASA Technical Reports Server (NTRS)

Jackson, R. D.; Slater, P. N.; Pinter, P. J. (Principal Investigator)

1982-01-01

A radiative transfer model was used to convert ground measured reflectances into the radiance at the top of the atmosphere, for several levels of atmospheric path radiance. The radiance in MSS7 (0.8 to 1.1 m) was multiplied by the transmission fraction for atmospheres having different levels of precipitable water. The radiance values were converted to simulated LANDSAT digital counts for four path radiance levels and four levels of precipitable water. These values were used to calculate the Kauth-Thomas brightness, greenness, yellowness, and nonsuch factors. Brightness was affected by surface conditions and path radiance. Greenness was affected by surface conditions, path radiance, and precipitable water. Yellowness was affected by path radiance and nonsuch by precipitable water, and both factors changed only slightly with surface conditions. Yellowness and nonsuch were used to adjust brightness and greenness to produce factors that were affected only by surface conditions such as soils and vegetation, and not by path radiance and precipitable water.

Green's function and image system for the Laplace operator in the prolate spheroidal geometry

NASA Astrophysics Data System (ADS)

Xue, Changfeng; Deng, Shaozhong

2017-01-01

In the present paper, electrostatic image theory is studied for Green's function for the Laplace operator in the case where the fundamental domain is either the exterior or the interior of a prolate spheroid. In either case, an image system is developed to consist of a point image inside the complement of the fundamental domain and an additional symmetric continuous surface image over a confocal prolate spheroid outside the fundamental domain, although the process of calculating such an image system is easier for the exterior than for the interior Green's function. The total charge of the surface image is zero and its centroid is at the origin of the prolate spheroid. In addition, if the source is on the focal axis outside the prolate spheroid, then the image system of the exterior Green's function consists of a point image on the focal axis and a line image on the line segment between the two focal points.

Advantages of a Vertical High-Resolution Distributed-Temperature-Sensing System Used to Evaluate the Thermal Behavior of Green Roofs

NASA Astrophysics Data System (ADS)

Hausner, M. B.; Suarez, F. I.; Cousiño, J. A.; Victorero, F.; Bonilla, C. A.; Gironas, J. A.; Vera, S.; Bustamante, W.; Rojas, V.; Leiva, E.; Pasten, P.

2015-12-01

Technological innovations used for sustainable urban development, green roofs offer a range of benefits, including reduced heat island effect, rooftop runoff, roof surface temperatures, energy consumption, and noise levels inside buildings, as well as increased urban biodiversity. Green roofs feature layered construction, with the most important layers being the vegetation and the substrate layers located above the traditional roof. These layers provide both insulation and warm season cooling by latent heat flux, reducing the thermal load to the building. To understand and improve the processes driving this thermal energy reduction, it is important to observe the thermal dynamics of a green roof at the appropriate spatial and temporal scales. Traditionally, to observe the thermal behavior of green roofs, a series of thermocouples have been installed at discrete depths within the layers of the roof. Here, we present a vertical high-resolution distributed-temperature-sensing (DTS) system installed in different green roof modules of the Laboratory of Vegetated Infrastructure for Buildings (LIVE -its acronym in Spanish) of the Pontifical Catholic University of Chile. This DTS system allows near-continuous measurement of the thermal profile at spatial and temporal resolutions of approximately 1 cm and 30 s, respectively. In this investigation, the temperature observations from the DTS system are compared with the measurements of a series of thermocouples installed in the green roofs. This comparison makes it possible to assess the value of thermal observations at better spatial and temporal resolutions. We show that the errors associated with lower resolution observations (i.e., from the thermocouples) are propagated in the calculations of the heat fluxes through the different layers of the green roof. Our results highlight the value of having a vertical high-resolution DTS system to observe the thermal dynamics in green roofs.

Dose-dependent photochemical/photothermal toxicity of indocyanine green-based therapy on three different cancer cell lines.

PubMed

Ruhi, Mustafa Kemal; Ak, Ayşe; Gülsoy, Murat

2018-03-01

The Food and Drug Administration-approved Indocyanine Green can be used as a photosensitizer to kill cancer cells selectively. Although indocyanine green is advantageous as a photosensitizer in terms of strong absorption in the near-infrared region, indocyanine green-based cancer treatment is still not approved as a clinical method. Some reasons for this are aggregation at high concentrations, rapid clearance of the photosensitizer from the body, low singlet oxygen quantum yield, and the uncertainty concerning its action mechanism. This in vitro study focuses on two of these points: "what is the cell inhibition mechanism of indocyanine green-based therapy?" and "how the dose-dependent aggregation problem of indocyanine green alters its cell inhibition efficiency?" The following experiments were conducted to provide insight into these points. Nontoxic doses of indocyanine green and near-infrared laser were determined. The aggregation behavior of indocyanine green was verified through experiments. The singlet oxygen quantum yield of indocyanine green at different concentrations were calculated. Various indocyanine green and energy densities of near-infrared light were applied to prostate cancer, neuroblastoma, and colon cancer cells. An MTT assay was performed at the end of the first, second, and third days following the treatments to determine the cell viability. Temperature changes in the medium during laser exposure were recorded. ROS generation following the treatment was verified by using a Total Reactive Oxygen Species detection kit. An apoptosis detection test was performed to establish the cell death mechanism and, finally, the cellular uptakes of the three different cells were measured. According to the results, indocyanine green-based therapy causes cell viability decrease for three cancer cell lines by means of excessive reactive oxygen species production. Different cells have different sensitivities to the therapy possibly because of the differentiation level and structural differences. The singlet oxygen generation of indocyanine green decreases at high concentrations because of aggregation. Nevertheless, better cancer cell killing effect was observed at higher photosensitizer concentrations. This result reveals that the cellular uptake of indocyanine green was determinant for better cancer cell inhibition. Copyright © 2018 Elsevier B.V. All rights reserved.

A perspective study on green cleaning for Malaysian public hospital

NASA Astrophysics Data System (ADS)

Ramli, N. A.; Zawawi, E. M.; Arif, N. R. M.; Mahbob, N. S.; Sulaiman, Z.; Zainol, N. N.

2018-02-01

Cleaning being a major contributor to the operations and maintenance expenditure and also Indoor Environmental Quality (IEQ) issues. Improper and ineffective cleaning can harm the environment and poses greatest risk to health. The use of traditional cleaning products presents a variety of human health and ecological concerns; and may contribute to poor IEQ. As an effort to reduce the issue of operations and maintenance costs and IEQ issues in a building, it is important to establish a green cleaning programme to ensure that the buildings are cleaned in a green way. Numbers of scholars has pointed out the factors which had prevented the green cleaning implementation in hospital buildings. Nonetheless, the significance of these factors has yet to be practically explored in the Malaysian context. Hence, the aim of the paper is to identify the most critical factor that prevents the implementation of green cleaning in Malaysian hospital building. A questionnaire survey and personal communication (i.e. interview) was conducted which involved two groups of respondents. They are the hospital maintenance staff (Cleansing Service Department) and cleaning contractors. Frequency and criticality index calculations have been used to rank these factors according to the level of importance. The result showed that an “unclear components and requirements of green cleaning” indicated as the most critical factor that prevent the implementation of green cleaning in Malaysian hospital building. In the concern for a successful implementation of green cleaning, it is hope that the findings of these studies can be enlightenment to the cleaning contractors as well as the hospital maintenance management team in Malaysia.

Effect of Green Tea on Plasma Adiponectin Levels: A Systematic Review and Meta-analysis of Randomized Controlled Clinical Trials.

PubMed

Haghighatdoost, Fahimeh; Nobakht M Gh, B Fatemeh; Hariri, Mitra

2017-01-01

Our objective was to perform a systematic review and meta-analysis on randomized controlled trials (RCTs) assessing the effect of green tea on serum adiponectin concentration. We searched PubMed, ISI Web of Science, Scopus, and the Google Scholar databases up to November 2016. RCTs conducted among human adults studied the effects of green tea and green tea extract on serum adiponectin concentrations as an outcome variable was included. The weighted mean differences and standard deviations (SD) of change in serum adiponectin levels were calculated. The random effects model was used for deriving a summary of mean estimates with their corresponding SDs. The protocol was registered with PROSPERO (No. CRD42017057716). Fourteen RCTs were eligible to be included in the systematic review and the meta-analysis. Our analysis showed that green tea did not significantly affect adiponectin concentrations in comparison with placebo (weighted mean difference = -0.02 µg/ml, 95% confidence interval [CI], -0.41, 0.38; p = 0.936). There was a substantial heterogeneity between studies (I 2 = 91.7%; p < 0.0001). Subgroup analyses based on sex, type of intervention, continent, and body mass index (BMI) could not explain the sources of heterogeneity. Metaregression analyses revealed that the dose and duration of green tea ingestion did not have any effect on adiponectin concentrations. Green tea could not change the circulatory adiponectin levels. The dose and duration of green tea could not change the result. RCTs with longer follow-up periods and higher doses are needed to replicate our results.

Green Space and Child Weight Status: Does Outcome Measurement Matter? Evidence from an Australian Longitudinal Study.

PubMed

Sanders, Taren; Feng, Xiaoqi; Fahey, Paul P; Lonsdale, Chris; Astell-Burt, Thomas

2015-01-01

To examine whether neighbourhood green space is beneficially associated with (i) waist circumference (WC) and (ii) waist-to-height ratio (WtHR) across childhood. Gender-stratified multilevel linear regressions were used to examine associations between green space and objective measures of weight status in the Longitudinal Study of Australian Children, a nationally representative source of data on 4,423 children aged 6 y to 13 y. WC and WtHR were measured objectively. Percentage green space within the local area of residence was calculated. Effect modification by age was explored, adjusting for socioeconomic confounding. Compared to peers with 0-5% green space locally, boys and girls with >40% green space tended to have lower WC (β boys  -1.15, 95% CI -2.44, 0.14; β girls  -0.21, 95% CI -1.47, 1.05) and WtHR (β boys  -0.82, 95% CI -1.65, 0.01; β girls  -0.32, 95% CI -1.13, 0.49). Associations among boys were contingent upon age (p  valuesage∗green  space < 0.001) and robust to adjustment for socioeconomic variables. The benefits of greener neighbourhoods appeared from age 7, with mean WC and WtHR for boys aged 13 y with >40% green space at 73.85 cm and 45.75% compared to those with 0-5% green space at 75.18 cm and 46.62%, respectively. Greener neighbourhoods appear beneficial to alternative child weight status measures, particularly among boys.

Non-adiabatic dynamics of isolated green fluorescent protein chromophore anion

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

Zhao, Li, E-mail: zhaoli282@dicp.ac.cn, E-mail: pwzhou@dicp.ac.cn, E-mail: libinsnet@dicp.ac.cn, E-mail: aihuagao@dicp.ac.cn; Gao, Ai-Hua, E-mail: zhaoli282@dicp.ac.cn, E-mail: pwzhou@dicp.ac.cn, E-mail: libinsnet@dicp.ac.cn, E-mail: aihuagao@dicp.ac.cn; University of the Chinese Academy of Sciences, Beijing 100049

2014-12-21

On-the-fly ab initio molecular dynamics calculations have been performed to investigate the relaxation mechanism of green fluorescent protein chromophore anion under vacuum. The CASSCF surface hopping simulation method based on Zhu-Nakamura theory is applied to present the real-time conformational changes of the target molecule. The static calculations and dynamics simulation results suggest that not only the twisting motion around bridging bonds between imidazolinone and phenoxy groups but the strength mode of C=O and pyramidalization character of bridging atom are major factors on the ultrafast fluorescence quenching process of the isolated chromophore anion. The abovementioned factors bring the molecule to themore » vicinity of conical intersections on its potential energy surface and to finish the internal conversion process. A Hula-like twisting pattern is displayed during the relaxation process and the entire decay process disfavors a photoswitching pattern which corresponds to cis-trans photoisomerization.« less

Enhancement of Raman scattering in dielectric nanostructures with electric and magnetic Mie resonances

NASA Astrophysics Data System (ADS)

Frizyuk, Kristina; Hasan, Mehedi; Krasnok, Alex; Alú, Andrea; Petrov, Mihail

2018-02-01

Resonantly enhanced Raman scattering in dielectric nanostructures has been recently proven to be an efficient tool for nanothermometry and for the experimental determination of their mode composition. In this paper we develop a rigorous analytical theory based on the Green's function approach to calculate the Raman emission from crystalline high-index dielectric nanoparticles. As an example, we consider silicon nanoparticles which have a strong Raman response due to active optical phonon modes. We relate enhancement of Raman signal emission to the Purcell effect due to the excitation of Mie modes inside the nanoparticles. We also employ our numerical approach to calculate inelastic Raman emission in more sophisticated geometries, which do not allow a straightforward analytical form of the Green's function. The Raman response from a silicon nanodisk has been analyzed with the proposed method, and the contribution of various Mie modes has been revealed.

Theory of Valence Transition

NASA Astrophysics Data System (ADS)

Misawa, S.; Takano, F.

1981-01-01

The valence transition phenomena occurring in rare-earth compounds are studied by using the periodic Anderson model with the electron-phonon coupling. This electron-phonon interaction G is treated in the Hartree-Fock approximation. The Coulomb repulsion U between f-electrons on the same site is taken to be ∞, and the decoupling method of Roth is used for the higher order Green function considering the mixing interaction to be small. We put the condition that the total number of electrons is a constant, and calculate the numbers of f- and d-electrons as functions of the original energy of f-electron by using the Green functions. The first order transition is shown to occur if G ≳ (1/2)W, where W is the width of the original d-band. The energy of f-electron at which the insulator and the metallic phase have the same ground state energy is calculated asɛc ≃ (1/2)(G-(1/2)W) + (2V^2/W) log |(G-W/2)/(G+W/2)|- (V^2/8W) log | (G-W/2)(G-(3/2)W) |. The magnetic susceptibilities of both phases are also calculated, but the result is not good, showing the decoupling method used here is not appropriate for the calculation of magnetic properties.

Multi-class methodology to determine pesticides and mycotoxins in green tea and royal jelly supplements by liquid chromatography coupled to Orbitrap high resolution mass spectrometry.

PubMed

Martínez-Domínguez, Gerardo; Romero-González, Roberto; Garrido Frenich, Antonia

2016-04-15

A multi-class methodology was developed to determine pesticides and mycotoxins in food supplements. The extraction was performed using acetonitrile acidified with formic acid (1%, v/v). Different clean-up sorbents were tested, and the best results were obtained using C18 and zirconium oxide for green tea and royal jelly, respectively. The compounds were determined using ultra high performance liquid chromatography (UHPLC) coupled to Exactive-Orbitrap high resolution mass spectrometry (HRMS). The recovery rates obtained were between 70% and 120% for most of the compounds studied with a relative standard deviation <25%, at three different concentration levels. The calculated limits of quantification (LOQ) were <10 μg/kg. The method was applied to green tea (10) and royal jelly (8) samples. Nine (eight of green tea and one of royal jelly) samples were found to be positive for pesticides at concentrations ranging from 10.6 (cinosulfuron) to 47.9 μg/kg (paclobutrazol). The aflatoxin B1 (5.4 μg/kg) was also found in one of the green tea samples. Copyright © 2015 Elsevier Ltd. All rights reserved.

Polylactide-based renewable green composites from agricultural residues and their hybrids.

PubMed

Nyambo, Calistor; Mohanty, Amar K; Misra, Manjusri

2010-06-14

Agricultural natural fibers like jute, kenaf, sisal, flax, and industrial hemp have been extensively studied in green composites. The continuous supply of biofibers in high volumes to automotive part makers has raised concerns. Because extrusion followed by injection molding drastically reduces the aspect ratio of biofibers, the mechanical performance of injection molded agricultural residue and agricultural fiber-based composites are comparable. Here, the use of inexpensive agricultural residues and their hybrids that are 8-10 times cheaper than agricultural fibers is demonstrated to be a better way of getting sustainable materials with better performance. Green renewable composites from polylactide (PLA), agricultural residues (wheat straw, corn stover, soy stalks, and their hybrids) were successfully prepared through twin-screw extrusion, followed by injection molding. The effect on mechanical properties of varying the wheat straw amount from 10 to 40 wt % in PLA-wheat straw composites was studied. Tensile moduli were compared with theoretical calculations from the rule of mixture (ROM). Combination of agricultural residues as hybrids is proved to reduce the supply chain concerns for injection molded green composites. Densities of the green composites were found to be lower than those of conventional glass fiber composites.

Skiing in the Eocene Uinta Mountains? Isotopic evidence in the Green River Formation for snow melt and large mountains

NASA Astrophysics Data System (ADS)

Norris, Richard D.; Jones, Lawrence S.; Corfield, Richard M.; Cartlidge, Julie E.

1996-05-01

Isotopic analysis of lacustrine carbonates from the Eocene Green River Formation suggests that lake waters were derived partly from snow melt. This evidence for cool climates is in marked contrast to paleontological and model evidence for mild temperatures in the continental interior. Oxygen isotope ratios of carbonates frequently reach -12‰ to nearly -16‰ (Peedee belemnite), which suggests that lake waters probably had δ18O of <-13‰ (standard mean ocean water). Consideration of the evaporative 18O enrichment that typically occurs in modern large saline lakes suggests that the source waters to the Green River basin had a δ18O of <-18‰. These ratios are consistent with snow melt and are too negative to be easily accounted for by distillation in the atmosphere during heavy rainfall. The Green River lakes formed in a closed basin encircled by large mountains; this suggests that the snow melt was locally produced. The mountains surrounding the lake must have been high enough to occasionally supply significant melt water to the much lower lake. Lapse rate calculations suggest minimum altitudes of >3000 m for the mountains encircling the Green River basin.

First-principles study of length dependence of conductance in alkanedithiols

NASA Astrophysics Data System (ADS)

Zhou, Y. X.; Jiang, F.; Chen, H.; Note, R.; Mizuseki, H.; Kawazoe, Y.

2008-01-01

Electronic transport properties of alkanedithiols are calculated by a first-principles method based on density functional theory and nonequilibrium Green's function formalism. At small bias, the I-V characteristics are linear and the resistances conform to the Magoga's exponential law. The calculated length-dependent decay constant γ which reflects the effect of internal molecular structure is in accordance with most experiments quantitatively. Also, the calculated effective contact resistance R0 is in good agreement with the results of repeatedly measuring molecule-electrode junctions [B. Xu and N. Tao, Science 301, 1221 (2003)].

Energy savings, emission reductions, and health co-benefits of the green building movement.

PubMed

P, MacNaughton; X, Cao; J, Buonocore; J, Cedeno-Laurent; J, Spengler; A, Bernstein; J, Allen

2018-06-01

Buildings consume nearly 40% of primary energy production globally. Certified green buildings substantially reduce energy consumption on a per square foot basis and they also focus on indoor environmental quality. However, the co-benefits to health through reductions in energy and concomitant reductions in air pollution have not been examined.We calculated year by year LEED (Leadership in Energy and Environmental Design) certification rates in six countries (the United States, China, India, Brazil, Germany, and Turkey) and then used data from the Green Building Information Gateway (GBIG) to estimate energy savings in each country each year. Of the green building rating schemes, LEED accounts for 32% of green-certified floor space and publically reports energy efficiency data. We employed Harvard's Co-BE Calculator to determine pollutant emissions reductions by country accounting for transient energy mixes and baseline energy use intensities. Co-BE applies the social cost of carbon and the social cost of atmospheric release to translate these reductions into health benefits. Based on modeled energy use, LEED-certified buildings saved $7.5B in energy costs and averted 33MT of CO 2 , 51 kt of SO 2 , 38 kt of NO x , and 10 kt of PM 2.5 from entering the atmosphere, which amounts to $5.8B (lower limit = $2.3B, upper limit = $9.1B) in climate and health co-benefits from 2000 to 2016 in the six countries investigated. The U.S. health benefits derive from avoiding an estimated 172-405 premature deaths, 171 hospital admissions, 11,000 asthma exacerbations, 54,000 respiratory symptoms, 21,000 lost days of work, and 16,000 lost days of school. Because the climate and health benefits are nearly equivalent to the energy savings for green buildings in the United States, and up to 10 times higher in developing countries, they provide an important and previously unquantified societal value. Future analyses should consider these co-benefits when weighing policy decisions around energy-efficient buildings.

Improved techniques for outgoing wave variational principle calculations of converged state-to-state transition probabilities for chemical reactions

NASA Technical Reports Server (NTRS)

Mielke, Steven L.; Truhlar, Donald G.; Schwenke, David W.

1991-01-01

Improved techniques and well-optimized basis sets are presented for application of the outgoing wave variational principle to calculate converged quantum mechanical reaction probabilities. They are illustrated with calculations for the reactions D + H2 yields HD + H with total angular momentum J = 3 and F + H2 yields HF + H with J = 0 and 3. The optimization involves the choice of distortion potential, the grid for calculating half-integrated Green's functions, the placement, width, and number of primitive distributed Gaussians, and the computationally most efficient partition between dynamically adapted and primitive basis functions. Benchmark calculations with 224-1064 channels are presented.

Design of cadmium-free colloidal II-VI semiconductor quantum dots exhibiting RGB emission

NASA Astrophysics Data System (ADS)

Asano, Hiroshi; Omata, Takahisa

2017-04-01

The size and composition dependence of the optical gap of colloidal alloyed quantum dots (QDs) of Zn(Te1-xSex) and Zn(Te1-xSx) were calculated by the finite-depth-well effective mass approximation method. QDs that exhibited red, green and blue emission were explored to develop cadmium-free II-VI chalcogenide-based QD-phosphors. We considered that highly monodisperse colloidal QDs with diameters of 3-6 nm are easy to synthesize and II-VI semiconductor QDs usually exhibit a Stokes shift ranging between 50 and 150 meV. We showed that Zn(Te1-xSex) QDs with 0.02≤x≤0.68, and 0≤x≤0.06, and 0.66≤x≤0.9 may be expected to exhibit green, and blue emission, respectively. Zn(Te1-xSx) QDs with 0.26≤x≤0.37, 0.01≤x≤0.2 and 0.45≤x≤0.61, 0≤x≤0.02, and 0.63≤x≤0.72, should give red, green and blue emission respectively. On the basis of our calculations, we showed that Zn(Te,Se) and Zn(Te,S) QDs are very promising cadmium-free II-VI chalcogenide semiconductor QD phosphors.

Characteristics of the water footprint of rice production under different rainfall years in Jilin Province, China.

PubMed

Li, Hongying; Qin, Lijie; He, Hongshi

2018-06-01

Rice is a special crop, and its production differs from that of other crops because it requires a thin layer of water coverage for a long period. The calculation of the water footprint of rice production should differ from that of other crops owing to the rice growing process. This study improved the calculation of blue and grey water footprints of rice production and analyzed the variations in the water footprints for rice production under different rainfall years in Jilin Province. In the drought year, the green water footprint was the lowest and the blue water footprint was the highest among the three years, while in the humid year, the green water footprint was the highest and the blue water footprint was not the lowest. The areas with higher water footprints were found in the east and west regions of Jilin Province, while the areas with lower water footprints were found in the middle east and middle regions of Jilin Province. Blue water was the primary water resource for rice production, although more precipitation provided the highest green water in the humid year; also, the spatial distributions of water footprints were not the same under different rainfall years. © 2017 Society of Chemical Industry. © 2017 Society of Chemical Industry.

Synthesis and DFT calculations of some 2-aminothiazoles

NASA Astrophysics Data System (ADS)

Rezania, Jafar; Behzadi, Hadi; Shockravi, Abbas; Ehsani, Morteza; Akbarzadeh, Elahe

2018-04-01

A series of 2-aminothiazole derivatives have been synthesized by the reaction of acetyl compounds with thiourea and iodine as catalyst under solvent-free condition, a green chemistry method. The quantum chemical calculations at the DFT/B3LYP level of theory in gas phase were carried out for starting acetyl derivatives. The highest occupied molecular orbital (HOMO) and lowest unoccupied molecular orbital (LUMO) and related reactivity descriptor of acetyl derivatives, as well as, enthalpy of reactions are calculated in order to investigate the reaction properties of acetyl compounds and yields of the reactions. The calculated reactivity descriptors are well correlated to activity of different acetyl derivatives.

A computationally efficient software application for calculating vibration from underground railways

NASA Astrophysics Data System (ADS)

Hussein, M. F. M.; Hunt, H. E. M.

2009-08-01

The PiP model is a software application with a user-friendly interface for calculating vibration from underground railways. This paper reports about the software with a focus on its latest version and the plans for future developments. The software calculates the Power Spectral Density of vibration due to a moving train on floating-slab track with track irregularity described by typical values of spectra for tracks with good, average and bad conditions. The latest version accounts for a tunnel embedded in a half space by employing a toolbox developed at K.U. Leuven which calculates Green's functions for a multi-layered half-space.

Large Scale GW Calculations

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

Govoni, Marco; Galli, Giulia

We present GW calculations of molecules, ordered and disordered solids and interfaces, which employ an efficient contour deformation technique for frequency integration and do not require the explicit evaluation of virtual electronic states nor the inversion of dielectric matrices. We also present a parallel implementation of the algorithm which takes advantage of separable expressions of both the single particle Green's function and the screened Coulomb interaction. The method can be used starting from density functional theory calculations performed with semilocal or hybrid functionals. We applied the newly developed technique to GW calculations of systems of unprecedented size, including water/semiconductor interfacesmore » with thousands of electrons.« less

Plant experiments with light-emitting diode module in Svet space greenhouse

NASA Astrophysics Data System (ADS)

Ilieva, Iliyana; Ivanova, Tania; Naydenov, Yordan; Dandolov, Ivan; Stefanov, Detelin

Light is necessary for photosynthesis and shoot orientation in the space plant growth facilities. Light modules (LM) must provide sufficient photosynthetic photon flux for optimal efficiency of photosynthetic processes and also meet the constraints for power, volume and mass. A new LM for SVET Space Greenhouse using Cree R XLamp R 7090 XR light-emitting diodes (LEDs) is developed. Three types of monochromic LEDs emitting in the red, green, and blue region of the spectrum are used. The new LM contains 36 LED spots - 30 LED spots with one red, green and blue LED and 6 LED spots with three red LEDs. DMX programming device controls the LED spots and can set 231 levels of light intensity thus achieving Photosynthetic Photon Flux Density (PPFD) in the range 0-400 µmol.m-2 .s-1 and different percentages of the red, green and blue light, depending on the experimental objectives. Two one-month experiments with "salad-type" plants - lettuce and chicory were carried at 400 µmol.m-2 .s-1 PPFD (high light - HL) and 220 µmol.m-2 .s-1 PPFD (low light - LL) and composition 70% red, 20% green and 10% blue light. In vivo modulated chlorophyll fluorescence was measured by a PAM fluorometer on leaf discs and the following parameters: effective quantum yield of Photosystem II (ΦP SII ) and non-photochemical quenching (NPQ) were calculated. Both lettuce and chicory plants grown at LL express higher photochemical activity of Photosystem II (PSII) than HL grown plants, evaluated by the actual PSII quantum yield, ΦP SII . The calculated steady state NPQ values did not differ significantly in lettuce and chicory. The rapid phase of the NPQ increase was accelerated in all studied LL leaves. In conclusion low light conditions ensured more effective functioning of PSII than HL when lettuce and chicory plants were grown at 70% red, 20% green and 10% blue light composition.

Chromaticity calculations and code comparisons for x-ray lithography source XLS and SXLS rings

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

Parsa, Z.

1988-06-16

This note presents the chromaticity calculations and code comparison results for the (x-ray lithography source) XLS (Chasman Green, XUV Cosy lattice) and (2 magnet 4T) SXLS lattices, with the standard beam optic codes, including programs SYNCH88.5, MAD6, PATRICIA88.4, PATPET88.2, DIMAD, BETA, and MARYLIE. This analysis is a part of our ongoing accelerator physics code studies. 4 figs., 10 tabs.

Inversion of chalcogen defect levels in silicon - An MNDO study. [modified neglect of diatomic overlap

NASA Technical Reports Server (NTRS)

Singh, R. K.; Sahu, S. N.; Singh, V. A.; Corbett, J. W.

1985-01-01

MNDO (modified neglect of diatomic overlap) calculations have been carried out for substitutional oxygen and sulfur impurities in silicon. The calculations of the gap levels reveal a reversal of trend with atomic ionization energies in agreement with self-consistent Green function results, and analysis of the MNDO charge distribution supports the view that the electronegativity difference between oxygen and sulfur gives rise to this shallower energy level.

Numerical renormalization group calculation of impurity internal energy and specific heat of quantum impurity models

NASA Astrophysics Data System (ADS)

Merker, L.; Costi, T. A.

2012-08-01

We introduce a method to obtain the specific heat of quantum impurity models via a direct calculation of the impurity internal energy requiring only the evaluation of local quantities within a single numerical renormalization group (NRG) calculation for the total system. For the Anderson impurity model we show that the impurity internal energy can be expressed as a sum of purely local static correlation functions and a term that involves also the impurity Green function. The temperature dependence of the latter can be neglected in many cases, thereby allowing the impurity specific heat Cimp to be calculated accurately from local static correlation functions; specifically via Cimp=(∂Eionic)/(∂T)+(1)/(2)(∂Ehyb)/(∂T), where Eionic and Ehyb are the energies of the (embedded) impurity and the hybridization energy, respectively. The term involving the Green function can also be evaluated in cases where its temperature dependence is non-negligible, adding an extra term to Cimp. For the nondegenerate Anderson impurity model, we show by comparison with exact Bethe ansatz calculations that the results recover accurately both the Kondo induced peak in the specific heat at low temperatures as well as the high-temperature peak due to the resonant level. The approach applies to multiorbital and multichannel Anderson impurity models with arbitrary local Coulomb interactions. An application to the Ohmic two-state system and the anisotropic Kondo model is also given, with comparisons to Bethe ansatz calculations. The approach could also be of interest within other impurity solvers, for example, within quantum Monte Carlo techniques.

Absorbed dose in AgBr in direct film for photon energies ( < 150 keV): relation to optical density. Theoretical calculation and experimental evaluation.

PubMed

Helmrot, E; Alm Carlsson, G

1996-01-01

In the radiological process it is necessary to develop tools so as to explore how X-rays can be used in the most effective way. Evaluation of models to derive measures of image quality and risk-related parameters is one possibility of getting such a tool. Modelling the image receptor, an important part of the imaging chain, is then required. The aim of this work was to find convenient and accurate ways of describing the blackening of direct dental films by X-rays. Since the beginning of the 20th century, the relation between optical density and photon interactions in the silver bromide in X-ray films has been investigated by many authors. The first attempts used simple quantum theories with no consideration of underlying physical interaction processes. The theories were gradually made more realistic by the introduction of dosimetric concepts and cavity theory. A review of cavity theories for calculating the mean absorbed dose in the AgBr grains of the film emulsion is given in this work. The cavity theories of GREENING (15) and SPIERS-CHARLTON (37) were selected for calculating the mean absorbed dose in the AgBr grains relative to the air collision kerma (Kc,air) of the incident photons of Ultra-speed and Ektaspeed (intraoral) films using up-to-date values of interaction coefficients. GREENING'S theory is a multi-grain theory and the results depend on the relative amounts of silver bromide and gelatine in the emulsion layer. In the single grain theory of SPIERS-CHARLTON, the shape and size of the silver bromide grain are important. Calculations of absorbed dose in the silver bromide were compared with measurements of optical densities in Ultra-speed and Ektaspeed films for a broad range (25-145 kV) of X-ray energy. The calculated absorbed dose values were appropriately averaged over the complete photon energy spectrum, which was determined experimentally using a Compton spectrometer. For the whole range of tube potentials used, the measured optical densities of the films were found to be proportional to the mean absorbed dose in the AgBr grains calculated according to GREENING'S theory. They were also found to be proportional to the collision kerma in silver bromide (Kc,AgBr) indicating proportionality between Kc,AgBr and the mean absorbed dose in silver bromide. While GREENING'S theory shows that the quotient of the mean absorbed dose in silver bromide and Kc,AgBr varies with photon energy, this is not apparent when averaged over the broad (diagnostic) X-ray energy spectra used here. Alternatively, proportionality between Kc,AgBr and the mean absorbed dose in silver bromide can be interpreted as resulting from a combination of the SPIERS-CHARLTON theory, valid at low photon energies ( < 30 keV) and GREENING'S theory, which is strictly valid at energies above 50 keV. This study shows that the blackening of non-screen films can be related directly to the energy absorbed in the AgBr grains of the emulsion layer and that, for the purpose of modelling the imaging chain in intraoral radiography, film response can be represented by Kc,AgBr (at the position of the film) independent of photon energy. The importance of taking the complete X-ray energy spectrum into full account in deriving Kc,AgBr is clearly demonstrated, showing that the concept of effective energy must be used with care.

Antibacterial Activities of Hibiscus sabdariffa Extracts and Chemical Sanitizers Directly on Green Leaves Contaminated with Foodborne Pathogens.

PubMed

Gómez-Aldapa, Carlos A; Rangel-Vargas, Esmeralda; Torres-Vitela, Ma Refugio; Villarruel-López, Angélica; Acevedo-Sandoval, Otilio A; Gordillo-Martínez, Alberto J; Godínez-Oviedo, Angélica; Castro-Rosas, Javier

2018-02-01

Leafy greens have been associated with foodborne disease outbreaks in different countries. To decrease microbial contamination of leafy greens, chemical agents are commonly used; however, a number of studies have shown these agents to have limited antimicrobial effect against pathogenic bacteria on vegetables. The objective of this study was to compare the antibacterial effect of Hibiscus sabdariffa calyx extracts (water, methanol, acetone, and ethyl acetate), sodium hypochlorite, acetic acid, and colloidal silver against foodborne bacteria on leafy greens. Thirteen foodborne bacteria were used in the study: Listeria monocytogenes, Shigella flexneri, Salmonella serotypes Typhimurium Typhi, and Montevideo, Staphylococcus aureus, Escherichia coli O157:H7, five E. coli pathotypes (Shiga toxin-producing, enteropathogenic, enterotoxigenic, enteroinvasive, and enteroaggregative), and Vibrio cholerae O1. Each foodborne bacterium was separately inoculated on romaine lettuce, spinach, and coriander leaves. Separately, contaminated leafy greens were immersed in four hibiscus extracts and in sanitizers for 5 min. Next, green leaves were washed with sterile tap water. Separately, each green leaf was placed in a bag that contained 0.1% sterile peptone water and was rubbed for 2 min. Counts were done by plate count using appropriate dilutions (in sterile peptone water) of the bacterial suspensions spread on Trypticase soy agar plates and incubated at 35 ± 2°C for 48 h. Statistically significant differences ( P < 0.05) were calculated with an analysis of variance and Duncan's test. All 13 foodborne bacteria attached to leafy greens. Roselle calyx extracts caused a significantly greater reduction ( P < 0.05) in concentration of all foodborne bacteria on contaminated romaine lettuce, spinach, and coriander than did the sodium hypochlorite, colloidal silver, and acetic acid. Dry roselle calyx extracts may potentially be a useful addition to disinfection procedures for romaine lettuce, spinach, and coriander.

Open sun drying of green bean: influence of pretreatments on drying kinetics, colour and rehydration capacity

NASA Astrophysics Data System (ADS)

İsmail, Osman; Kantürk Figen, Aysel; Pişkin, Sabriye

2017-04-01

Green bean ( Phaseolus Vulgaris L), classified under legume family, is a primary source of dietary protein in human diets especially in the agricultural countries. Green bean is susceptible to rapid deterioration because of their high moisture content and in order to prevent and present the green bean drying process is applied. In this study, effects of pretreatments on drying kinetics, colour and rehydration capacity of green bean were investigated. It was observed that the pretreatment affected the drying time. The shortest drying times were obtained from pretreated samples with blanched. Drying times were determined as 47, 41 and 29 h for natural, salted and blanch, respectively. The results showed that pretreatment and ambient temperature significantly ( P = 0.05) affected the drying rate and the drying time. The effective moisture diffusivity was determined by using Fick's second law and was found to be range between 3.15 × 10-10 and 1.2 × 10-10 m2/s for the pre-treated and natural green bean samples. The rehydration values were obtained 2.75, 2.71, 2.29 (g water/g dry matter) for the blanched, salted and natural samples. The effective diffusion coefficients were calculated using the data collected during the falling rate period and the experimental data are fitted to seven thin layer drying models which found in the literature. The Logarithmic model was found to best describe the drying behavior of fresh green beans under open air sun. Rehydration time and color parameters had been determined in order to improve the quality of dried green bean. Regarding with rehydration time and colour data, the best results were obtained at blanched drying conditions.

The Post-Processing Approach in the Finite Element Method. Part 1. Calculation of Displacements, Stresses, and other Higher Derivatives of the Displacements.

DTIC Science & Technology

1982-12-01

Were the influence function (Green’s function) known for this point, then we could take i=O and 0 would be expressible in terms of the input data...alone. So (1.1) would take the form 4=R . Of course, the influence function is not in general available. At the other extreme, if we take to be the Dirac...where n is some integer, which, for the moment, will remain arbitrary. If we select for the influence function (Green’s function), then (2.5a) and

Transient difference solutions of the inhomogeneous wave equation - Simulation of the Green's function

NASA Technical Reports Server (NTRS)

Baumeister, K. J.

1983-01-01

A time-dependent finite difference formulation to the inhomogeneous wave equation is derived for plane wave propagation with harmonic noise sources. The difference equation and boundary conditions are developed along with the techniques to simulate the Dirac delta function associated with a concentrated noise source. Example calculations are presented for the Green's function and distributed noise sources. For the example considered, the desired Fourier transformed acoustic pressures are determined from the transient pressures by use of a ramping function and an integration technique, both of which eliminates the nonharmonic pressure associated with the initial transient.

Transient difference solutions of the inhomogeneous wave equation: Simulation of the Green's function

NASA Technical Reports Server (NTRS)

Baumeiste, K. J.

1983-01-01

A time-dependent finite difference formulation to the inhomogeneous wave equation is derived for plane wave propagation with harmonic noise sources. The difference equation and boundary conditions are developed along with the techniques to simulate the Dirac delta function associated with a concentrated noise source. Example calculations are presented for the Green's function and distributed noise sources. For the example considered, the desired Fourier transformed acoustic pressures are determined from the transient pressures by use of a ramping function and an integration technique, both of which eliminates the nonharmonic pressure associated with the initial transient.

The generation of gravitational waves. 2: The post-linear formalism revisited

NASA Technical Reports Server (NTRS)

Crowley, R. J.; Thorne, K. S.

1975-01-01

Two different versions of the Green's function for the scalar wave equation in weakly curved spacetime (one due to DeWitt and DeWitt, the other to Thorne and Kovacs) are compared and contrasted; and their mathematical equivalence is demonstrated. The DeWitt-DeWitt Green's function is used to construct several alternative versions of the Thorne-Kovacs post-linear formalism for gravitational-wave generation. Finally it is shown that, in calculations of gravitational bremsstrahlung radiation, some of our versions of the post-linear formalism allow one to treat the interacting bodies as point masses, while others do not.

Methodes d'amas quantiques a temperature finie appliquees au modele de Hubbard

NASA Astrophysics Data System (ADS)

Plouffe, Dany

Depuis leur decouverte dans les annees 80, les supraconducteurs a haute temperature critique ont suscite beaucoup d'interet en physique du solide. Comprendre l'origine des phases observees dans ces materiaux, telle la supraconductivite, est l'un des grands defis de la physique theorique du solide des 25 dernieres annees. L'un des mecanismes pressentis pour expliquer ces phenomenes est la forte interaction electron-electron. Le modele de Hubbard est l'un des modeles les plus simples pour tenir compte de ces interactions. Malgre la simplicite apparente de ce modele, certaines de ses caracteristiques, dont son diagramme de phase, ne sont toujours pas bien etablies, et ce malgre plusieurs avancements theoriques dans les dernieres annees. Cette etude se consacre a faire une analyse de methodes numeriques permettant de calculer diverses proprietes du modele de Hubbard en fonction de la temperature. Nous decrivons des methodes (la VCA et la CPT) qui permettent de calculer approximativement la fonction de Green a temperature finie sur un systeme infini a partir de la fonction de Green calculee sur un amas de taille finie. Pour calculer ces fonctions de Green, nous allons utiliser des methodes permettant de reduire considerablement les efforts numeriques necessaires pour les calculs des moyennes thermodynamiques, en reduisant considerablement l'espace des etats a considerer dans ces moyennes. Bien que cette etude vise d'abord a developper des methodes d'amas pour resoudre le modele de Hubbard a temperature finie de facon generale ainsi qu'a etudier les proprietes de base de ce modele, nous allons l'appliquer a des conditions qui s'approchent de supraconducteurs a haute temperature critique. Les methodes presentees dans cette etude permettent de tracer un diagramme de phase pour l'antiferromagnetisme et la supraconductivite qui presentent plusieurs similarites avec celui des supraconducteurs a haute temperature. Mots-cles : modele de Hubbard, thermodynamique, antiferromagnetisme, supraconductivite, methodes numeriques, larges matrices

Green's function approach to the Kondo effect in nanosized quantum corrals

NASA Astrophysics Data System (ADS)

Li, Q. L.; Wang, R.; Xie, K. X.; Li, X. X.; Zheng, C.; Cao, R. X.; Miao, B. F.; Sun, L.; Wang, B. G.; Ding, H. F.

2018-04-01

We present a theoretical study of the Kondo effect for a magnetic atom placed inside nanocorrals using Green's function calculations. Based on the standard mapping of the Anderson impurity model to a one-dimensional chain model, we formulate a weak-coupling theory to study the Anderson impurities in a hosting bath with a surface state. With further taking into account the multiple scattering effect of the surrounding atoms, our calculations show that the Kondo resonance width of the atom placed at the center of the nanocorral can be significantly tuned by the corral size, in good agreement with recent experiments [Q. L. Li et al., Phys. Rev. B 97, 035417 (2018), 10.1103/PhysRevB.97.035417]. The method can also be applied to the atom placed at an arbitrary position inside the corral where our calculation shows that the Kondo resonance width also oscillates as the function of its separation from the corral center. The prediction is further confirmed by the low-temperature scanning tunneling microscopy studies where a one-to-one correspondence is found. The good agreement with the experiments validates the generality of the method to the system where multiadatoms are involved.

Neighborhood and healthy aging in a German city: distances to green space and senior service centers and their associations with physical constitution, disability, and health-related quality of life.

PubMed

Vogt, Susanne; Mielck, Andreas; Berger, Ursula; Grill, Eva; Peters, Annette; Döring, Angela; Holle, Rolf; Strobl, Ralf; Zimmermann, Anja-Kerstin; Linkohr, Birgit; Wolf, Kathrin; Kneißl, Klaus; Maier, Werner

2015-12-01

The composition of the residential environment may have an independent influence on health, especially in older adults. In this cross-sectional study, we examined the associations between proximity to two features of the residential environment (green space and senior service centers) and three aspects of healthy aging (self-rated physical constitution, disability, and health-related quality of life). We included 1711 inhabitants from the city of Augsburg, Germany, aged 65 years or older, who participated in the KORA-Age study conducted in 2008/2009. We calculated the Euclidian distances between each participant's residential address and the nearest green space or senior service center, using a geographic information system. Multilevel logistic regression models were fitted to analyze the associations, controlling for demographic and socioeconomic factors. Contrary to expectations, we did not find clear associations between the distances to the nearest green space or senior service center and any of the examined aspects of healthy aging. The importance of living close to green space may largely depend on the study location. The city of Augsburg is relatively small (about 267,000 inhabitants) and has a high proportion of greenness. Thus, proximity to green space may not be as important as in a densely populated metropolitan area. Moreover, an objectively defined measure of access such as Euclidian distance may not reflect the actual use. Future studies should try to assess the importance of resources of the residential environment not only objectively, but also from the resident's perspective.

Monitoring vegetation dynamics with medium resolution MODIS-EVI time series at sub-regional scale in southern Africa

NASA Astrophysics Data System (ADS)

Dubovyk, Olena; Landmann, Tobias; Erasmus, Barend F. N.; Tewes, Andreas; Schellberg, Jürgen

2015-06-01

Currently there is a lack of knowledge on spatio-temporal patterns of land surface dynamics at medium spatial scale in southern Africa, even though this information is essential for better understanding of ecosystem response to climatic variability and human-induced land transformations. In this study, we analysed vegetation dynamics across a large area in southern Africa using the 14-years (2000-2013) of medium spatial resolution (250 m) MODIS-EVI time-series data. Specifically, we investigated temporal changes in the time series of key phenometrics including overall greenness, peak and timing of annual greenness over the monitoring period and study region. In order to specifically capture spatial and per pixel vegetation changes over time, we calculated trends in these phenometrics using a robust trend analysis method. The results showed that interannual vegetation dynamics followed precipitation patterns with clearly differentiated seasonality. The earliest peak greenness during 2000-2013 occurred at the end of January in the year 2000 and the latest peak greenness was observed at the mid of March in 2012. Specifically spatial patterns of long-term vegetation trends allowed mapping areas of (i) decrease or increase in overall greenness, (ii) decrease or increase of peak greenness, and (iii) shifts in timing of occurrence of peak greenness over the 14-year monitoring period. The observed vegetation decline in the study area was mainly attributed to human-induced factors. The obtained information is useful to guide selection of field sites for detailed vegetation studies and land rehabilitation interventions and serve as an input for a range of land surface models.

On-chip sample pretreatment using a porous polymer monolithic column for solid-phase microextraction and chemiluminescence determination of catechins in green tea.

PubMed

Lin, Ling; Chen, Hui; Wei, Huibin; Wang, Feng; Lin, Jin-Ming

2011-10-21

A porous polymer monolithic column for solid-phase microextraction and chemiluminescence detection was integrated into a simple microfluidic chip for the extraction and determination of catechins in green tea. The porous polymer was prepared by poly(glycidyl methacrylate-co-ethylene dimethacrylate) and modified with ethylenediamine. Catechins can be concentrated in the porous polymer monolithic column and react with potassium permanganate to give chemiluminescence. The microfluidic chip is reusable with high sensitivity and very low reagent consumption. The on-line preconcentration and detection can be realized without an elution step. The enrichment factor was calculated to be about 20 for catechins. The relative chemiluminescence intensity increased linearly with concentration of catechin from 5.0 × 10(-9) to 1.0 × 10(-6) M and the limit of detection was 1.0 × 10(-9) M. The proposed method was applied to determine catechin in green tea. The recoveries are from 90% to 110% which benefits the actual application for green tea samples.

Response of Alpine Grassland Vegetation Phenology to Snow Accumulation and Melt in Namco Basin

NASA Astrophysics Data System (ADS)

Chen, S.; Cui, X.; Liang, T.

2018-04-01

Snow/ice accumulation and melt, as a vital part of hydrological processes, is close related with vegetation activities. Taking Namco basin for example, based on multisource remote sensing data and the ground observation data of temperature and precipitation, phenological information was extracted by S-G filtering and dynamic threshold method. Daily snow cover fraction was calculated with daily cloud-free snow cover maps. Evolution characteristics of grassland vegetation greening, growth length and daily snow cover fraction and their relationship were analyzed from 2001 to 2013. The results showed that most of grassland vegetation had advanced greening and prolong growth length trend in Namco basin. There were negative correlations between snow cover fraction and vegetation greening or growth length. The response of vegetation phenology to snow cover fraction is more sensitive than that to temperature in spring. Meanwhile, vegetation growth condition turned worse with advanced greening and prolong growth length. To a certain extent, our research reveals the relationship between grassland vegetation growth cycle and snow in alpine ecosystem. It has provided reference to research the response mechanism of alpine grassland ecosystem to climate changes.

GFMC calculations of electromagnetic moments and M1 transitions in A {<=} 9 nuclei

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

Pastore, Saori; Pieper, Steven C.; Schiavilla, Rocco

2013-08-01

We present recent Green's function Monte Carlo calculations of magnetic moments and M1 transitions in A{<=} 9 nuclei, which include corrections arising from two-body meson-exchange electromagnetic currents. Two-body effects provide significant corrections to the calculated observables, bringing them in excellent agreement with the experimental data. In particular, we find that two body corrections are especially large in the A = 9, T = 3/2 systems, in which they account for up to ~ 20% (~ 40%) of the total predicted value for the {sup 9}Li ({sup 9}C) magnetic moment.

Long-time tails of the green-kubo integrands for a binary mixture

NASA Astrophysics Data System (ADS)

Wood, W. W.

1989-11-01

The long-time tails for the mutual diffusion coefficient, the thermal diffusivity, the thermal conductivity, and the shear and longitudinal viscosities (from which the tail of the bulk viscosity can be calculated) of a nonreactive binary mixture are calculated from mode-coupling theory, and compared with a prior calculation by Pomeau. Three different choices of the thermal forces and currents are considered, with the results found to take their simplest form in the case of the de Groot "double-primed set". The decompositions into the kinetic, potential, and cross terms are given.

Electron transport in all-Heusler Co2CrSi/Cu2CrAl/Co2CrSi device, based on ab-initio NEGF calculations

NASA Astrophysics Data System (ADS)

Mikaeilzadeh, L.; Pirgholi, M.; Tavana, A.

2018-05-01

Based on the ab-initio non-equilibrium Green's function (NEGF) formalism based on the density functional theory (DFT), we have studied the electron transport in the all-Heusler device Co2CrSi/Cu2CrAl/Co2CrSi. Results show that the calculated transmission spectra is very sensitive to the structural parameters and the interface. Also, we obtain a range for the thickness of the spacer layer for which the MR effect is optimum. Calculations also show a perfect GMR effect in this device.

Modeling of Turbulence Generated Noise in Jets

NASA Technical Reports Server (NTRS)

Khavaran, Abbas; Bridges, James

2004-01-01

A numerically calculated Green's function is used to predict jet noise spectrum and its far-field directivity. A linearized form of Lilley's equation governs the non-causal Green s function of interest, with the non-linear terms on the right hand side identified as the source. In this paper, contributions from the so-called self- and shear-noise source terms will be discussed. A Reynolds-averaged Navier-Stokes solution yields the required mean flow as well as time- and length scales of a noise-generating turbulent eddy. A non-compact source, with exponential temporal and spatial functions, is used to describe the turbulence velocity correlation tensors. It is shown that while an exact non-causal Green's function accurately predicts the observed shift in the location of the spectrum peak with angle as well as the angularity of sound at moderate Mach numbers, at high subsonic and supersonic acoustic Mach numbers the polar directivity of radiated sound is not entirely captured by this Green's function. Results presented for Mach 0.5 and 0.9 isothermal jets, as well as a Mach 0.8 hot jet conclude that near the peak radiation angle a different source/Green's function convolution integral may be required in order to capture the peak observed directivity of jet noise.

Urban green valuation integrating biophysical and qualitative aspects.

PubMed

Lang, Stefan

2018-01-01

Urban green mapping has become an operational task in city planning, urban land management, and quality of life assessments. As a multi-dimensional, integrative concept, urban green comprising several ecological, socio-economic, and policy-related aspects. In this paper, the author advances the representation of urban green by deriving scale-adapted, policy-relevant units. These so-called geons represent areas of uniform green valuation under certain size and homogeneity constraints in a spatially explicit representation. The study accompanies a regular monitoring scheme carried out by the urban municipality of the city of Salzburg, Austria, using optical satellite data. It was conducted in two stages, namely SBG_QB (10.2 km², QuickBird data from 2005) and SBG_WV (140 km², WorldView-2 data from 2010), within the functional urban area of Salzburg. The geon delineation was validated by several quantitative measures and spatial analysis techniques, as well as ground documentation, including panorama photographs and visual interpretation. The spatial association pattern was assessed by calculating Global Moran's I with incremental search distances. The final geonscape, consisting of 1083 units with an average size of 13.5 ha, was analyzed by spatial metrics. Finally, categories were derived for different types of functional geons. Future research paths and improvements to the described strategy are outlined.

Association between neighbourhood green space and sedentary leisure time in a Danish population.

PubMed

Storgaard, Rikke Lynge; Hansen, Henning Sten; Aadahl, Mette; Glümer, Charlotte

2013-12-01

Sedentary behaviour is a risk factor for diabetes, cardiovascular disease etc., independently of level of physical activity. Availability of recreational green space is associated with physical activity, but is unknown in relation to sedentary behaviour. The aim of this study is to examine the association between availability of green space and sedentary leisure time in a Danish population. The study was based on a random sample of 49,806 adults aged 16 + who answered a questionnaire in 2010, including sedentary leisure time. Objective measures of density green were calculated for each respondent using Geographical Information System (GIS). A multilevel regression analysis, taking neighbourhood and individual factors into account, was performed. 65% of the respondents were sedentary in leisure time for more than 3h/day. We found that poor availability of forest and recreational facilities in the neighbourhood is associated with more sedentary leisure time; OR: 1.11 (95% CL: 1.04-1.19), after adjusting for individual, and neighbourhood, level characteristics. Among adult inhabitants, sedentary leisure time of more than 3h/day was more frequent in neighbourhoods with less green surroundings. Intervention efforts may benefit from emphasising the importance of having recreations options in residential areas to provide alternatives to sedentary activities.

Cone pigments in human deutan colour vision defects.

PubMed Central

Alpern, M; Wake, T

1977-01-01

1. The Nagel anomaloscope, neutral points and dichromatic matches to a spectral green light identified a population of seventy red-green dichromats. 2. The anomaloscope settings allow the calculation of the relative action spectrum of the match at the wave-length of the red (645 nm) and green (535 nm) primaries. The distribution of this ratio is bimodal; there are two clusters with a gap of about 0-75 long units between. Among the thirty-eight deuteranopes there are wide differences in anomaloscope matches; similar differences appear among the thirty-two protanopes. 3. Retinal densitometry of the foveas of fifteen of the deuteranopes is compared and contrasted with measurements on trichromats. In the former, only one photolabile pigment is found in the red-green region of the spectrum; normals always have two. The view of Rushton (1965a) that deuteranopes have erythrolabe but no measurable chlorolabe is confirmed for each member of this group. 4. Simple deuteranomalous show two red-green cone pigments. The difference spectra of extreme deuteranomalous are very similar to those found in deuteranopia. 5. Individual differnce in kinetics (photosensitivity, time constant of regeneration) and in the density and lambdamax of the difference spectrum of erythrolabe in deuteranopia are appreciable; the reasons for these differences are not clear. PMID:301185

The influence of bubble populations generated under windy conditions on the blue-green light transmission in the upper ocean: An exploratory approach

NASA Astrophysics Data System (ADS)

Wang, Chengan; Tan, Jianyu; Lai, Qingzhi

2016-12-01

The “blue-green window” in the ocean plays an important role in functions such as communication between vessels, underwater target identification, and remote sensing. In this study, the transmission process of blue-green light in the upper ocean is analyzed numerically using the Monte Carlo method. First, the effect of total number of photons on the numerical results is evaluated, and the most favorable number is chosen to ensure accuracy without excessive costs for calculation. Then, the physical and mathematical models are constructed. The rough sea surface is generated under windy conditions and the transmission signals are measured in the far field. Therefore, it can be conceptualized as a 1D slab with a rough boundary surface. Under windy conditions, these bubbles form layers that are horizontally homogeneous and decay exponentially with depth under the influence of gravity. The effects of bubble populations on the process of blue-green light transmission at different wind speeds, wavelengths, angle of incidence and chlorophyll-a concentrations are studied for both air-incident and water-incident cases. The results of this study indicate that the transmission process of blue-green light is significantly influenced by bubbles under high wind-speed conditions.

Human-induced greening of the northern extratropical land surface

NASA Astrophysics Data System (ADS)

Mao, J.; Ribes, A.; Yan, B.; Shi, X.; Thornton, P. E.; Seferian, R.; Ciais, P.; Myneni, R. B.; Douville, H.; Piao, S.; Zhu, Z.; Dickinson, R. E.; Dai, Y. J.; Ricciuto, D. M.; Jin, M.; Hoffman, F. M.; Wang, B.; Huang, M.; Lian, X.

2016-12-01

Significant land greening in the northern extratropical latitudes (NEL) has been documented through satellite observations during the past three decades. This enhanced vegetation growth has broad implications for surface energy, water and carbon budgets, and ecosystem services across multiple scales. Discernible human impacts on the Earth's climate system have been revealed by using statistical frameworks of detection-attribution. These impacts, however, were not previously identified on the NEL greening signal, owing to the lack of long-term observational records, possible bias of satellite data, different algorithms used to calculate vegetation greenness, and the lack of suitable simulations from coupled Earth system models (ESMs). Here we have overcome these challenges to attribute recent changes in NEL vegetation activity. We used two 30-year-long remote-sensing-based leaf area index (LAI) data sets, simulations from 19 coupled ESMs with interactive vegetation, and a formal detection and attribution algorithm. Our findings reveal that the observed greening record is consistent with an assumption of anthropogenic forcings, where greenhouse gases play a dominant role, but is not consistent with simulations that include only natural forcings and internal climate variability. These results provide the first clear evidence of a discernible human fingerprint on physiological vegetation changes other than phenology and range shifts.

Human-induced greening of the northern extratropical land surface

NASA Astrophysics Data System (ADS)

Mao, Jiafu; Ribes, Aurélien; Yan, Binyan; Shi, Xiaoying; Thornton, Peter E.; Séférian, Roland; Ciais, Philippe; Myneni, Ranga B.; Douville, Hervé; Piao, Shilong; Zhu, Zaichun; Dickinson, Robert E.; Dai, Yongjiu; Ricciuto, Daniel M.; Jin, Mingzhou; Hoffman, Forrest M.; Wang, Bin; Huang, Mengtian; Lian, Xu

2016-10-01

Significant land greening in the northern extratropical latitudes (NEL) has been documented through satellite observations during the past three decades. This enhanced vegetation growth has broad implications for surface energy, water and carbon budgets, and ecosystem services across multiple scales. Discernible human impacts on the Earth's climate system have been revealed by using statistical frameworks of detection-attribution. These impacts, however, were not previously identified on the NEL greening signal, owing to the lack of long-term observational records, possible bias of satellite data, different algorithms used to calculate vegetation greenness, and the lack of suitable simulations from coupled Earth system models (ESMs). Here we have overcome these challenges to attribute recent changes in NEL vegetation activity. We used two 30-year-long remote-sensing-based leaf area index (LAI) data sets, simulations from 19 coupled ESMs with interactive vegetation, and a formal detection and attribution algorithm. Our findings reveal that the observed greening record is consistent with an assumption of anthropogenic forcings, where greenhouse gases play a dominant role, but is not consistent with simulations that include only natural forcings and internal climate variability. These results provide the first clear evidence of a discernible human fingerprint on physiological vegetation changes other than phenology and range shifts.

Human-induced greening of the northern extratropical land surface

DOE PAGES

Mao, Jiafu; Ribes, Aurélien; Yan, Binyan; ...

2016-06-27

Significant land greening in the northern extratropical latitudes (NEL) has been documented from satellite observations during the past three decades. This enhanced vegetation growth has broad implications for surface energy, water and carbon budgets, and ecosystem services across multiple scales. Discernible human impacts on the Earth’s climate system have been revealed by using statistical frameworks of detection–attribution. These impacts, however, were not previously identified on the NEL greening signal, owing to the lack of long-term observational records, possible bias of satellite data, different algorithms used to calculate vegetation greenness, and the lack of suitable simulations from coupled Earth system modelsmore » (ESMs). Here we have overcome these challenges to attribute recent changes in NEL vegetation activity. We have used two 30-year-long remote-sensing-based leaf area index (LAI) data sets, simulations from 19 coupled ESMs with interactive vegetation, and a formal detection and attribution algorithm. Our findings reveal that the observed greening record is consistent with an assumption of anthropogenic forcings, where greenhouse gases play a dominant role, but is not consistent with simulations that include only natural forcings and internal climate variability. These results provide the first clear evidence of a discernible human fingerprint on physiological vegetation changes other than phenology and range shifts.« less

Water footprint analysis for the assessment of milk production in Brandenburg (Germany)

NASA Astrophysics Data System (ADS)

Drastig, K.; Prochnow, A.; Kraatz, S.; Klauss, H.; Plöchl, M.

2010-09-01

The working group "Adaptation to Climate Change" at the Leibniz-Institute for Agricultural Engineering Potsdam-Bornim (ATB) is introduced. This group calculates the water footprint for agricultural processes and farms, distinguished into green water footprint, blue water footprint, and dilution water footprint. The green and blue water demand of a dairy farm plays a pivotal role in the regional water balance. Considering already existing and forthcoming climate change effects there is a need to determine the water cycle in the field and in housing for process chain optimisation for the adaptation to an expected increasing water scarcity. Resulting investments to boost water productivity and to improve water use efficiency in milk production are two pathways to adapt to climate change effects. In this paper the calculation of blue water demand for dairy farming in Brandenburg (Germany) is presented. The water used for feeding, milk processing, and servicing of cows over the time period of ten years was assessed in our study. The preliminary results of the calculation of the direct blue water footprint shows a decreasing water demand in the dairy production from the year 1999 with 5.98×109 L/yr to a water demand of 5.00×109 L/yr in the year 2008 in Brandenburg because of decreasing animal numbers and an improved average milk yield per cow. Improved feeding practices and shifted breeding to greater-volume producing Holstein-Friesian cow allow the production of milk in a more water sustainable way. The mean blue water consumption for the production of 1 kg milk in the time period between 1999 to 2008 was 3.94±0.29 L. The main part of the consumed water seems to stem from indirect used green water for the production of feed for the cows.

Giant perpendicular exchange bias with antiferromagnetic MnN

NASA Astrophysics Data System (ADS)

Zilske, P.; Graulich, D.; Dunz, M.; Meinert, M.

2017-05-01

We investigated an out-of-plane exchange bias system that is based on the antiferromagnet MnN. Polycrystalline, highly textured film stacks of Ta/MnN/CoFeB/MgO/Ta were grown on SiOx by (reactive) magnetron sputtering and studied by x-ray diffraction and Kerr magnetometry. Nontrivial modifications of the exchange bias and the perpendicular magnetic anisotropy were observed as functions of both film thicknesses and field cooling temperatures. In optimized film stacks, a giant perpendicular exchange bias of 3600 Oe and a coercive field of 350 Oe were observed at room temperature. The effective interfacial exchange energy is estimated to be Jeff = 0.24 mJ/m2 and the effective uniaxial anisotropy constant of the antiferromagnet is Keff = 24 kJ/m3. The maximum effective perpendicular anisotropy field of the CoFeB layer is Hani = 3400 Oe. These values are larger than any previously reported values. These results possibly open a route to magnetically stable, exchange biased perpendicularly magnetized spin valves.

Comparative energetics of carbon storage molecules in green algae

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

McKie-Krisberg, Zaid M.; Laurens, Lieve M. L.; Huang, Andy

Several members of the green algae possess the ability to produce lipids and/or high value compounds in significant quantities. While for several of these green algal species induction of increased lipid production has been shown, and cultivation of species for high value molecules occurs at production scale, the molecular mechanisms governing over-accumulation of molecules synthesized from isoprenoid precursors, carotenoids, for example, have received far less attention. Here, we present a calculation of the required ATP equivalencies per carbon atom and reducing power equivalencies as NADH/NADPH (NAD(P)H) per carbon atom for the isoprenoid molecules ..beta..-carotene (C40), astaxanthin (C40), and squalene (C30).more » We compared energetic requirements of carbohydrates, triacylglycerol, and isoprenoid molecules under a gradient of conditions of cellular stress. Our calculations revealed slightly less ATP and NAD(P)H equivalency per carbon atom between triacylglycerol and the three isoprenoid molecules. Based on our results, we propose that the driving force for differences in accumulation patterns of carotenoids vs. triacylglycerols in algal cells under stress is largely dependent on the presence and regulation of bypass mechanisms at metabolic junction bottlenecks, like pyruvate dehydrogenase (PDH), within particular species. We provide a discussion of several molecular mechanisms that may influence carbon partitioning within different groups of green algae, including metabolic inhibition through accumulation of specific substrates related to ATP and reducing equivalent production (NAD(P)H) as well as cellular compartmentalization. This work contributes to the ongoing discussion of cellular homeostatic regulation during stress, as well as the potential mechanisms driving long-term carbon storage as it relates to energy and redox states within the algal cell.« less

Comparative energetics of carbon storage molecules in green algae

DOE PAGES

McKie-Krisberg, Zaid M.; Laurens, Lieve M. L.; Huang, Andy; ...

2018-02-28

Several members of the green algae possess the ability to produce lipids and/or high value compounds in significant quantities. While for several of these green algal species induction of increased lipid production has been shown, and cultivation of species for high value molecules occurs at production scale, the molecular mechanisms governing over-accumulation of molecules synthesized from isoprenoid precursors, carotenoids, for example, have received far less attention. Here, we present a calculation of the required ATP equivalencies per carbon atom and reducing power equivalencies as NADH/NADPH (NAD(P)H) per carbon atom for the isoprenoid molecules ..beta..-carotene (C40), astaxanthin (C40), and squalene (C30).more » We compared energetic requirements of carbohydrates, triacylglycerol, and isoprenoid molecules under a gradient of conditions of cellular stress. Our calculations revealed slightly less ATP and NAD(P)H equivalency per carbon atom between triacylglycerol and the three isoprenoid molecules. Based on our results, we propose that the driving force for differences in accumulation patterns of carotenoids vs. triacylglycerols in algal cells under stress is largely dependent on the presence and regulation of bypass mechanisms at metabolic junction bottlenecks, like pyruvate dehydrogenase (PDH), within particular species. We provide a discussion of several molecular mechanisms that may influence carbon partitioning within different groups of green algae, including metabolic inhibition through accumulation of specific substrates related to ATP and reducing equivalent production (NAD(P)H) as well as cellular compartmentalization. This work contributes to the ongoing discussion of cellular homeostatic regulation during stress, as well as the potential mechanisms driving long-term carbon storage as it relates to energy and redox states within the algal cell.« less

Hamiltonian lattice field theory: Computer calculations using variational methods

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

Zako, Robert L.

1991-12-03

I develop a variational method for systematic numerical computation of physical quantities -- bound state energies and scattering amplitudes -- in quantum field theory. An infinite-volume, continuum theory is approximated by a theory on a finite spatial lattice, which is amenable to numerical computation. I present an algorithm for computing approximate energy eigenvalues and eigenstates in the lattice theory and for bounding the resulting errors. I also show how to select basis states and choose variational parameters in order to minimize errors. The algorithm is based on the Rayleigh-Ritz principle and Kato`s generalizations of Temple`s formula. The algorithm could bemore » adapted to systems such as atoms and molecules. I show how to compute Green`s functions from energy eigenvalues and eigenstates in the lattice theory, and relate these to physical (renormalized) coupling constants, bound state energies and Green`s functions. Thus one can compute approximate physical quantities in a lattice theory that approximates a quantum field theory with specified physical coupling constants. I discuss the errors in both approximations. In principle, the errors can be made arbitrarily small by increasing the size of the lattice, decreasing the lattice spacing and computing sufficiently long. Unfortunately, I do not understand the infinite-volume and continuum limits well enough to quantify errors due to the lattice approximation. Thus the method is currently incomplete. I apply the method to real scalar field theories using a Fock basis of free particle states. All needed quantities can be calculated efficiently with this basis. The generalization to more complicated theories is straightforward. I describe a computer implementation of the method and present numerical results for simple quantum mechanical systems.« less

Dielectric response properties of parabolically-confined nanostructures in a quantizing magnetic field

NASA Astrophysics Data System (ADS)

Sabeeh, Kashif

This thesis presents theoretical studies of dielectric response properties of parabolically-confined nanostructures in a magnetic field. We have determined the retarded Schrodinger Green's function for an electron in such a parabolically confined system in the presence of a time dependent electric field and an ambient magnetic field. Following an operator equation of motion approach developed by Schwinger, we calculate the result in closed form in terms of elementary functions in direct-time representation. From the retarded Schrodinger Green's function we construct the closed-form thermodynamic Green's function for a parabolically confined quantum-dot in a magnetic field to determine its plasmon spectrum. Due to confinement and Landau quantization this system is fully quantized, with an infinite number of collective modes. The RPA integral equation for the inverse dielectric function is solved using Fredholm theory in the nondegenerate and quantum limit to determine the frequencies with which the plasmons participate in response to excitation by an external potential. We exhibit results for the variation of plasmon frequency as a function of magnetic field strength and of confinement frequency. A calculation of the van der Waals interaction energy between two harmonically confined quantum dots is discussed in terms of the dipole-dipole correlation function. The results are presented as a function of confinement strength and distance between the dots. We also rederive a result of Fertig & Halperin [32] for the tunneling-scattering of an electron through a saddle potential which is also known as a quantum point contact (QPC), in the presence of a magnetic field. Using the retarded Green's function we confirm the result for the transmission coefficient and analyze it.

The Dynamical Mean Field Study of Competition between Ferromagnetism and Disorder in Ferromagnetic Semiconductors

NASA Astrophysics Data System (ADS)

Aryanpour, Karan

2003-03-01

We employ the Dynamical Mean Field Approximation (DMFA) to study the Janko-Zarand model [1] for the combination of large spin-orbit coupling and spatial disorder effects in GaAs doped with Mn. In this model the electronic dispersion and the spin-orbit coupling are simultaneously diagonalized and therefore, the Hamiltonian for the pure system takes a surprisingly simple form. The price for this simplicity is that the quantization axis for the spin must be rotated along the direction of momentum. This chiral basis greatly complicates the form of the hole-impurity interaction at a single site i. In the DMFA, since all the crossing Feynman diagrams for the hole-impurity interaction vanish, the problem simplifies to the local diagrams for the holes scattering off of a single Mn impurity site only. The diagrammatics for the self-energy reduces to the local Green functions and potentials in the non-chiral basis in which they have very simple forms. We first calculate the initial green function G(k) in the chiral basis and then rotate G(k) back into the non chiral basis and coarse grain it over all the k momenta. The hole-impurity interaction is greatly simplified in the non-chiral basis and can be averaged over all the spin configurations and orientations of the Mn atoms on the lattice.The self energy may be extracted from the averaged Green function, and used to recalculate the initial cluster Green function, etc. completing the DMFA self-consistent loop. We intend to calculate the spin and charge transport coefficients, and spectra such as the AC susceptibility and the ARPES which may be directly compared with experiment. [1] Phys. Rev. Lett.89,047201/1-4 (2002)

Ab initio calculation of the shear viscosity of neon in the liquid and hypercritical state over a wide pressure and temperature range

NASA Astrophysics Data System (ADS)

Eggenberger, Rolf; Gerber, Stefan; Huber, Hanspeter; Searles, Debra; Welker, Marc

1992-08-01

The shear viscosity is calculated ab initio for the liquid and hypercritical state, i.e. a previously published potential for Ne 2, obtained from ab initio calculations including electron correlation, is used in classical equilibrium molecular dynamics simulations to obtain the shear viscosity from a Green-Kubo integral. The quality of the results is quite uniform over a large pressure range up to 1000 MPa and a wide temperature range from 26 to 600 K. In most cases the calculated shear viscosity deviates by less than 10% from the experimental value, in general the error being only a few percent.

iQIST v0.7: An open source continuous-time quantum Monte Carlo impurity solver toolkit

NASA Astrophysics Data System (ADS)

Huang, Li

2017-12-01

In this paper, we present a new version of the iQIST software package, which is capable of solving various quantum impurity models by using the hybridization expansion (or strong coupling expansion) continuous-time quantum Monte Carlo algorithm. In the revised version, the software architecture is completely redesigned. New basis (intermediate representation or singular value decomposition representation) for the single-particle and two-particle Green's functions is introduced. A lot of useful physical observables are added, such as the charge susceptibility, fidelity susceptibility, Binder cumulant, and autocorrelation time. Especially, we optimize measurement for the two-particle Green's functions. Both the particle-hole and particle-particle channels are supported. In addition, the block structure of the two-particle Green's functions is exploited to accelerate the calculation. Finally, we fix some known bugs and limitations. The computational efficiency of the code is greatly enhanced.

Numerical convergence of the self-diffusion coefficient and viscosity obtained with Thomas-Fermi-Dirac molecular dynamics.

PubMed

Danel, J-F; Kazandjian, L; Zérah, G

2012-06-01

Computations of the self-diffusion coefficient and viscosity in warm dense matter are presented with an emphasis on obtaining numerical convergence and a careful evaluation of the standard deviation. The transport coefficients are computed with the Green-Kubo relation and orbital-free molecular dynamics at the Thomas-Fermi-Dirac level. The numerical parameters are varied until the Green-Kubo integral is equal to a constant in the t→+∞ limit; the transport coefficients are deduced from this constant and not by extrapolation of the Green-Kubo integral. The latter method, which gives rise to an unknown error, is tested for the computation of viscosity; it appears that it should be used with caution. In the large domain of coupling constant considered, both the self-diffusion coefficient and viscosity turn out to be well approximated by simple analytical laws using a single effective atomic number calculated in the average-atom model.

Numerical convergence of the self-diffusion coefficient and viscosity obtained with Thomas-Fermi-Dirac molecular dynamics

NASA Astrophysics Data System (ADS)

Danel, J.-F.; Kazandjian, L.; Zérah, G.

2012-06-01

Computations of the self-diffusion coefficient and viscosity in warm dense matter are presented with an emphasis on obtaining numerical convergence and a careful evaluation of the standard deviation. The transport coefficients are computed with the Green-Kubo relation and orbital-free molecular dynamics at the Thomas-Fermi-Dirac level. The numerical parameters are varied until the Green-Kubo integral is equal to a constant in the t→+∞ limit; the transport coefficients are deduced from this constant and not by extrapolation of the Green-Kubo integral. The latter method, which gives rise to an unknown error, is tested for the computation of viscosity; it appears that it should be used with caution. In the large domain of coupling constant considered, both the self-diffusion coefficient and viscosity turn out to be well approximated by simple analytical laws using a single effective atomic number calculated in the average-atom model.

Microwave-assisted extraction of green coffee oil and quantification of diterpenes by HPLC.

PubMed

Tsukui, A; Santos Júnior, H M; Oigman, S S; de Souza, R O M A; Bizzo, H R; Rezende, C M

2014-12-01

The microwave-assisted extraction (MAE) of 13 different green coffee beans (Coffea arabica L.) was compared to Soxhlet extraction for oil obtention. The full factorial design applied to the microwave-assisted extraction (MAE), related to time and temperature parameters, allowed to develop a powerful fast and smooth methodology (10 min at 45°C) compared to a 4h Soxhlet extraction. The quantification of cafestol and kahweol diterpenes present in the coffee oil was monitored by HPLC/UV and showed satisfactory linearity (R(2)=0.9979), precision (CV 3.7%), recovery (<93%), limit of detection (0.0130 mg/mL), and limit of quantification (0.0406 mg/mL). The space-time yield calculated on the diterpenes content for sample AT1 (Arabica green coffee) showed a six times higher value compared to the traditional Soxhlet method. Copyright © 2014 Elsevier Ltd. All rights reserved.

Impact of reclamation treatment on the biological activity of soils of the solonetz complex in Western Siberia

NASA Astrophysics Data System (ADS)

Berezin, L. V.; Khamova, O. F.; Paderina, E. V.; Gindemit, A. M.

2014-11-01

The abundance and activity of the soil microflora were studied in a field experiment with the use of green manure crops to assess the impact of reclamation measures on the biological activity of soils of the solonetz complex. The number of microorganisms in the plow soil horizon increased in the background of the green fallows as compared to the black ones. Coefficients of mineralization, immobilization, and transformation of organic compounds were calculated for different variants of the soil treatment. The value of the mineralization coefficient indicates the intense decomposition of the green manure that entered the soil. In the first year, peas were actively decomposed, while oats, in the second year (aftereffect). The activity of the soil enzymes (invertase, urease, and catalase) was determined. A close relationship between the catalase activity and the intensity of the microbiological processes in the soils was revealed.

Intercepted photosynthetically active radiation in wheat canopies estimated by spectral reflectance. [Phoenix, Arizona

NASA Technical Reports Server (NTRS)

Hatfield, J. L.; Asrar, G.; Kanemasu, E. T.

1982-01-01

The interception of photosynthetically active radiation (PAR) was evaluated relative to greenness and normalized difference (MSS 7-5/7+5) for five planting dates of wheat for 1978-79 and 1979-80 in Phoenix. Intercepted PAR was calculated from a model driven by leaf area index and stage of growth. Linear relationships were found between greenness and normalized difference with a separate model representing growth and senescence of the crop. Normalized difference was a significantly better model and would be easier to apply than the empirically derived greenness parameter. For the leaf area growth portion of the season the model between PAR interception and normalized difference was the same over years, however, for the leaf senescence the models showed more variability due to the lack of data on measured interception in sparse canopies. Normalized difference could be used to estimate PAR interception directly for crop growth models.

Uptake of indocyanine green by hamster sebaceous glands

NASA Astrophysics Data System (ADS)

McMillan, Kathleen; Lo, Kai-Ming; Wang, Zhi

2001-05-01

Photothermal injury to the sebaceous glands is a potential curative treatment for the common skin disease acne vulgaris. Accumulation of the exogenous chromophore indocyanine green in the sebaceous glands may be accomplished using an emulsion or liposomal formulation applied to the skin surface. An emulsion containing 0.09% by weight indocyanine green (ICG) was applied to the epidermis of hamster ears ex vivo and the flank organ in vivo. Fluorescence microscopy demonstrated selective accumulation of ICG in the underlying sebaceous glands. The concentration of ICG that may be expected to accumulate in sebaceous glands of humans was then estimated on the basis of the gland size and orifice area, for the case of topical application of a more concentrated 1% ICG liposomal formulation. Monte Carlo modeling and heat transfer calculations showed that the sebaceous glands containing the exogenous chromophore may be selectively damaged by pulsed 810 nm laser radiation in conjunction with cryogen spray cooling.

Light-cone expansion of the Dirac sea in the presence of chiral and scalar potentials

NASA Astrophysics Data System (ADS)

Finster, Felix

2000-10-01

We study the Dirac sea in the presence of external chiral and scalar/pseudoscalar potentials. In preparation, a method is developed for calculating the advanced and retarded Green's functions in an expansion around the light cone. For this, we first expand all Feynman diagrams and then explicitly sum up the perturbation series. The light-cone expansion expresses the Green's functions as an infinite sum of line integrals over the external potential and its partial derivatives. The Dirac sea is decomposed into a causal and a noncausal contribution. The causal contribution has a light-cone expansion which is closely related to the light-cone expansion of the Green's functions; it describes the singular behavior of the Dirac sea in terms of nested line integrals along the light cone. The noncausal contribution, on the other hand, is, to every order in perturbation theory, a smooth function in position space.

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

Ramírez-Morales, A.; Martínez-Orozco, J. C.; Rodríguez-Vargas, I.

The main characteristics of the quantum confined Stark effect (QCSE) are studied theoretically in quantum wells of Gaussian profile. The semi-empirical tight-binding model and the Green function formalism are applied in the numerical calculations. A comparison of the QCSE in quantum wells with different kinds of confining potential is presented.

Measuring Your School's Ecological Footprint.

ERIC Educational Resources Information Center

Sawchuk Julie; Cameron Tim

2000-01-01

Explaining ecological footprint analyses, this activity consists of a survey as a preliminary activity. Presents the survey questions and a chart of required calculations for ecological footprint activity. Lists the chart in five categories: waste management, energy, water, transportation, green space, and food. Provides information for follow-up…

A model study of tunneling conductance spectra of ferromagnetically ordered manganites

NASA Astrophysics Data System (ADS)

Panda, Saswati; Kar, J. K.; Rout, G. C.

2018-02-01

We report here the interplay of ferromagnetism (FM) and charge density wave (CDW) in manganese oxide systems through the study of tunneling conductance spectra. The model Hamiltonian consists of strong Heisenberg coupling in core t2g band electrons within mean-field approximation giving rise to ferromagnetism. Ferromagnetism is induced in the itinerant eg electrons due to Kubo-Ohata type double exchange (DE) interaction among the t2g and eg electrons. The charge ordering (CO) present in the eg band giving rise to CDW interaction is considered as the extra-mechanism to explain the colossal magnetoresistance (CMR) property of manganites. The magnetic and CDW order parameters are calculated using Zubarev's Green's function technique and solved self-consistently and numerically. The eg electron density of states (DOS) calculated from the imaginary part of the Green's function explains the experimentally observed tunneling conductance spectra. The DOS graph exhibits a parabolic gap near the Fermi energy as observed in tunneling conductance spectra experiments.

Interpretation of an index of phytoplankton population composition calculated from Remote Airborne Fluorsensor (RAF) data

NASA Technical Reports Server (NTRS)

Farmer, F. H.

1981-01-01

The calculation of indices of phytoplankton population composition from chlorophyll a fluorescence at 685 nm excited by narrow band light at 454 and 539 nm is discussed. The ratio of the fluorescence excited by light of these two wavelengths is a function of the distribution of the phytoplankton between two color groups, designated the golden-brown and the green. The golden-brown group consists of those species which have the highly photosynthetically active carotenoid-chlorophyll-a-protein complexes, i.e. members of the classes Bacillariophyceae, diatoms Dinophyceae, dinoflagellates, and some members of the class Prymnesiophyceae. The green color group consists those species of phytoplankton which apparently lack those complexes, i.e. members of the classes Chlorophyceae, Euglenophyceae, Prasinophyceae, Eustigmatophyceae, Xanthophyceae, and a few members of the Prymnesiophyceae. A few species of phytoplankton appear to have intermediate characteristics, and would apparently belong to neither group. Most of these species are members of the class Cryptophyceae. The composition index for this class is examined in detail.

Insights into colour-tuning of chlorophyll optical response in green plants.

PubMed

Jornet-Somoza, Joaquim; Alberdi-Rodriguez, Joseba; Milne, Bruce F; Andrade, Xavier; Marques, Miguel A L; Nogueira, Fernando; Oliveira, Micael J T; Stewart, James J P; Rubio, Angel

2015-10-28

First-principles calculations within the framework of real-space time-dependent density functional theory have been performed for the complete chlorophyll (Chl) network of the light-harvesting complex from green plants, LHC-II. A local-dipole analysis method developed for this work has made possible the studies of the optical response of individual Chl molecules subjected to the influence of the remainder of the chromophore network. The spectra calculated using our real-space TDDFT method agree with previous suggestions that weak interaction with the protein microenvironment should produce only minor changes in the absorption spectrum of Chl chromophores in LHC-II. In addition, relative shifting of Chl absorption energies leads the stromal and lumenal sides of LHC-II to absorb in slightly different parts of the visible spectrum providing greater coverage of the available light frequencies. The site-specific alterations in Chl excitation energies support the existence of intrinsic energy transfer pathways within the LHC-II complex.

Deep donor state of the copper acceptor as a source of green luminescence in ZnO

NASA Astrophysics Data System (ADS)

Lyons, J. L.; Alkauskas, A.; Janotti, A.; Van de Walle, C. G.

2017-07-01

Copper impurities have long been linked with green luminescence (GL) in ZnO. Copper is known to introduce an acceptor level close to the conduction band of ZnO, and the GL has conventionally been attributed to transitions involving an excited state which localizes holes on neighboring oxygen atoms. To date, a theoretical description of the optical properties of such deep centers has been difficult to achieve due to the limitations of functionals in the density functional theory. Here, we employ a screened hybrid density functional to calculate the properties of Cu in ZnO. In agreement with the experiment, we find that CuZn features an acceptor level near the conduction band of ZnO. However, we find that CuZn also gives rise to a deep donor level 0.46 eV above the valence band of ZnO; the calculated optical transitions involving this state agree well with the GL observed in ZnO:Cu.

Diffusion and viscosity of liquid tin: Green-Kubo relationship-based calculations from molecular dynamics simulations

NASA Astrophysics Data System (ADS)

Mouas, Mohamed; Gasser, Jean-Georges; Hellal, Slimane; Grosdidier, Benoît; Makradi, Ahmed; Belouettar, Salim

2012-03-01

Molecular dynamics (MD) simulations of liquid tin between its melting point and 1600 °C have been performed in order to interpret and discuss the ionic structure. The interactions between ions are described by a new accurate pair potential built within the pseudopotential formalism and the linear response theory. The calculated structure factor that reflects the main information on the local atomic order in liquids is compared to diffraction measurements. Having some confidence in the ability of this pair potential to give a good representation of the atomic structure, we then focused our attention on the investigation of the atomic transport properties through the MD computations of the velocity autocorrelation function and stress autocorrelation function. Using the Green-Kubo formula (for the first time to our knowledge for liquid tin) we determine the macroscopic transport properties from the corresponding microscopic time autocorrelation functions. The selfdiffusion coefficient and the shear viscosity as functions of temperature are found to be in good agreement with the experimental data.

Insights into colour-tuning of chlorophyll optical response in green plants

DOE PAGES

Jornet-Somoza, Joaquim; Alberdi-Rodriguez, Joseba; Milne, Bruce F.; ...

2015-07-17

Here, we performed first-principles calculations within the framework of real-space time-dependent density functional theory for the complete chlorophyll (Chl) network of the light-harvesting complex from green plants, LHC-II. A local-dipole analysis method developed for this work has made possible the studies of the optical response of individual Chl molecules subjected to the influence of the remainder of the chromophore network. The spectra calculated using our real-space TDDFT method agree with previous suggestions that weak interaction with the protein microenvironment should produce only minor changes in the absorption spectrum of Chl chromophores in LHC-II. In addition, relative shifting of Chl absorptionmore » energies leads the stromal and lumenal sides of LHC-II to absorb in slightly different parts of the visible spectrum providing greater coverage of the available light frequencies. The site-specific alterations in Chl excitation energies support the existence of intrinsic energy transfer pathways within the LHC-II complex.« less

Evaluation of Thymus vulgaris plant extract as an eco-friendly corrosion inhibitor for stainless steel 304 in acidic solution by means of electrochemical impedance spectroscopy, electrochemical noise analysis and density functional theory.

PubMed

Ehsani, A; Mahjani, M G; Hosseini, M; Safari, R; Moshrefi, R; Mohammad Shiri, H

2017-03-15

Inhibition performance of Thymus vulgaris plant leaves extract (thyme) as environmentally friendly (green) inhibitor for the corrosion protection of stainless steel (SS) type 304 in 1.0molL -1 HCl solution was studied by potentiodynamic polarization, electrochemical impedance (EIS) and electrochemical noise measurements (EN) techniques. The EN data were analyzed with FFT technique to make the spectral power density plots. The calculations were performed by MATLAB 2014a software. Geometry optimization and calculation of the structural and electronic properties of the molecular system of inhibitor have been carried out using UB3LYP/6-311++G ∗∗ level. Moreover, the results obtained from electrochemical noise analysis were compared with potentiodynamic polarization and electrochemical impedance spectroscopy. All of the used techniques showed positive effect of green inhibitor with increasing inhibitor concentration. Copyright © 2016 Elsevier Inc. All rights reserved.

Linking stroke mortality with air pollution, income, and greenness in northwest Florida: an ecological geographical study

PubMed Central

Hu, Zhiyong; Liebens, Johan; Rao, K Ranga

2008-01-01

Background Relatively few studies have examined the association between air pollution and stroke mortality. Inconsistent and inclusive results from existing studies on air pollution and stroke justify the need to continue to investigate the linkage between stroke and air pollution. No studies have been done to investigate the association between stroke and greenness. The objective of this study was to examine if there is association of stroke with air pollution, income and greenness in northwest Florida. Results Our study used an ecological geographical approach and dasymetric mapping technique. We adopted a Bayesian hierarchical model with a convolution prior considering five census tract specific covariates. A 95% credible set which defines an interval having a 0.95 posterior probability of containing the parameter for each covariate was calculated from Markov Chain Monte Carlo simulations. The 95% credible sets are (-0.286, -0.097) for household income, (0.034, 0.144) for traffic air pollution effect, (0.419, 1.495) for emission density of monitored point source polluters, (0.413, 1.522) for simple point density of point source polluters without emission data, and (-0.289,-0.031) for greenness. Household income and greenness show negative effects (the posterior densities primarily cover negative values). Air pollution covariates have positive effects (the 95% credible sets cover positive values). Conclusion High risk of stroke mortality was found in areas with low income level, high air pollution level, and low level of exposure to green space. PMID:18452609

Shear flow simulations of biaxial nematic liquid crystals

NASA Astrophysics Data System (ADS)

Sarman, Sten

1997-08-01

We have calculated the viscosities of a biaxial nematic liquid crystal phase of a variant of the Gay-Berne fluid [J. G. Gay and B. J. Berne, J. Chem. Phys. 74, 3316 (1981)] by performing molecular dynamics simulations. The equations of motion have been augmented by a director constraint torque that fixes the orientation of the directors. This makes it possible to fix them at different angles relative to the stream lines in shear flow simulations. In equilibrium simulations the constraints generate a new ensemble. One finds that the Green-Kubo relations for the viscosities become linear combinations of time correlation function integrals in this ensemble whereas they are complicated rational functions in the conventional canonical ensemble. We have evaluated these Green-Kubo relations for all the shear viscosities and all the twist viscosities. We have also calculated the alignment angles, which are functions of the viscosity coefficients. We find that there are three real alignment angles but a linear stability analysis shows that only one of them corresponds to a stable director orientation. The Green-Kubo results have been cross checked by nonequilibrium shear flow simulations. The results from the different methods agree very well. Finally, we have evaluated the Miesowicz viscosities [D. Baalss, Z. Naturforsch. Teil A 45, 7 (1990)]. They vary by more than 2 orders of magnitude. The viscosity is consequently highly orientation dependent.

Highly efficient regioselective synthesis, spectroscopic characterizations and DFT calculations of novel hydroxymethylated 1,4-disubstituted-1,2,3-triazole-based sulfonamides

NASA Astrophysics Data System (ADS)

Taheri, Elmira; Mirjafary, Zohreh; Saeidian, Hamid

2018-04-01

The novel hydroxymethylated 1,4-disubstituted-1,2,3-triazole-based sulfonamides were synthesized in excellent yields and high regioselectivity via a one-pot, two-step, three-component reaction of N-propargylsulfonamides, sodium azide, and epoxide derivatives under green conditions. Green and mild reaction condition, commercially readily available and inexpensive starting materials, wide scope and easy work-up are the key features of the present method. The Li+ and Na+ ion affinities of the model structure have been also investigated by density functional theory (DFT) studies to find the applicability of these products as ligand in coordination chemistry.

The hybrid reactor project based on the straight field line mirror concept

NASA Astrophysics Data System (ADS)

Ågren, O.; Noack, K.; Moiseenko, V. E.; Hagnestâl, A.; Källne, J.; Anglart, H.

2012-06-01

The straight field line mirror (SFLM) concept is aiming towards a steady-state compact fusion neutron source. Besides the possibility for steady state operation for a year or more, the geometry is chosen to avoid high loads on materials and plasma facing components. A comparatively small fusion hybrid device with "semi-poor" plasma confinement (with a low fusion Q factor) may be developed for industrial transmutation and energy production from spent nuclear fuel. This opportunity arises from a large fission to fusion energy multiplication ratio, Qr = Pfis/Pfus>>1. The upper bound on Qr is primarily determined by geometry and reactor safety. For the SFLM, the upper bound is Qr≈150, corresponding to a neutron multiplicity of keff=0.97. Power production in a mirror hybrid is predicted for a substantially lower electron temperature than the requirement Te≈10 keV for a fusion reactor. Power production in the SFLM seems possible with Q≈0.15, which is 10 times lower than typically anticipated for hybrids (and 100 times smaller than required for a fusion reactor). This relaxes plasma confinement demands, and broadens the range for use of plasmas with supra-thermal ions in hybrid reactors. The SFLM concept is based on a mirror machine stabilized by qudrupolar magnetic fields and large expander tanks beyond the confinement region. The purpose of the expander tanks is to distribute axial plasma loss flow over a sufficiently large area so that the receiving plates can withstand the heat. Plasma stability is not relying on a plasma flow into the expander regions. With a suppressed plasma flow into the expander tanks, a possibility arise for higher electron temperature. A brief presentation will be given on basic theory for the SFLM with plasma stability and electron temperature issues, RF heating computations with sloshing ion formation, neutron transport computations with reactor safety margins and material load estimates, magnetic coil designs as well as a discussion on the implications of the geometry for possible diagnostics. Reactor safety issues are addressed and a vertical orientation of the device could assist passive coolant circulation. Specific attention is put to a device with a 25 m long confinement region and 40 cm plasma radius in the mid-plane. In an optimal case (keff = 0.97) with a fusion power of only 10 MW, such a device may be capable of producing a power of 1.5 GWth.

Electric dipole moment of diatomic molecules by configuration interaction. IV.

NASA Technical Reports Server (NTRS)

Green, S.

1972-01-01

The theory of basis set dependence in configuration interaction calculations is discussed, taking into account a perturbation model which is valid for small changes in the self-consistent field orbitals. It is found that basis set corrections are essentially additive through first order. It is shown that an error found in a previously published dipole moment calculation by Green (1972) for the metastable first excited state of CO was indeed due to an inadequate basis set as claimed.

Custom blending of lamp phosphors

NASA Technical Reports Server (NTRS)

Klemm, R. E.

1978-01-01

Spectral output of fluorescent lamps can be precisely adjusted by using computer-assisted analysis for custom blending lamp phosphors. With technique, spectrum of main bank of lamps is measured and stored in computer memory along with emission characteristics of commonly available phosphors. Computer then calculates ratio of green and blue intensities for each phosphor according to manufacturer's specifications and plots them as coordinates on graph. Same ratios are calculated for measured spectrum. Once proper mix is determined, it is applied as coating to fluorescent tubing.

Solutions of the heat conduction equation in multilayers for photothermal deflection experiments

NASA Technical Reports Server (NTRS)

Mcgahan, William A.; Cole, K. D.

1992-01-01

Analytical expressions for temperature and laser beam deflection in multilayer medium is derived using Green function techniques. The approach is based on calculation of the normal component of heat fluxes across the boundaries, from which either the beam deflections or the temperature anywhere in space can be found. A general expression for the measured signals for the case of four-quadrant detection is also presented and compared with previous calculations of detector response for finite probe beams.

Calculation of unsteady transonic flows with mild separation by viscous-inviscid interaction

NASA Technical Reports Server (NTRS)

Howlett, James T.

1992-01-01

This paper presents a method for calculating viscous effects in two- and three-dimensional unsteady transonic flow fields. An integral boundary-layer method for turbulent viscous flow is coupled with the transonic small-disturbance potential equation in a quasi-steady manner. The viscous effects are modeled with Green's lag-entrainment equations for attached flow and an inverse boundary-layer method for flows that involve mild separation. The boundary-layer method is used stripwise to approximate three-dimensional effects. Applications are given for two-dimensional airfoils, aileron buzz, and a wing planform. Comparisons with inviscid calculations, other viscous calculation methods, and experimental data are presented. The results demonstrate that the present technique can economically and accurately calculate unsteady transonic flow fields that have viscous-inviscid interactions with mild flow separation.

Development of Co-Extrusion Technologies for Green Manufacture of Energetics

DTIC Science & Technology

2006-04-01

extrusion, Cc-extruded, ETPE, TPE, Energetic thermoplastic elastomer , PDMS, Polydimethyl siloxane, Fast core propellant, Co-layered, Wall slip, Shear...first opportunity possible, the steady FEM models of SIT will need to be converted into time dependent models to allow time dependent calculations to be

Evaluating green infrastructure in urban environments using a multi-taxa and functional diversity approach.

PubMed

Pinho, Pedro; Correia, Otília; Lecoq, Miguel; Munzi, Silvana; Vasconcelos, Sasha; Gonçalves, Paula; Rebelo, Rui; Antunes, Cristina; Silva, Patrícia; Freitas, Catarina; Lopes, Nuno; Santos-Reis, Margarida; Branquinho, Cristina

2016-05-01

Forested areas within cities host a large number of species, responsible for many ecosystem services in urban areas. The biodiversity in these areas is influenced by human disturbances such as atmospheric pollution and urban heat island effect. To ameliorate the effects of these factors, an increase in urban green areas is often considered sufficient. However, this approach assumes that all types of green cover have the same importance for species. Our aim was to show that not all forested green areas are equal in importance for species, but that based on a multi-taxa and functional diversity approach it is possible to value green infrastructure in urban environments. After evaluating the diversity of lichens, butterflies and other-arthropods, birds and mammals in 31 Mediterranean urban forests in south-west Europe (Almada, Portugal), bird and lichen functional groups responsive to urbanization were found. A community shift (tolerant species replacing sensitive ones) along the urbanization gradient was found, and this must be considered when using these groups as indicators of the effect of urbanization. Bird and lichen functional groups were then analyzed together with the characteristics of the forests and their surroundings. Our results showed that, contrary to previous assumptions, vegetation density and more importantly the amount of urban areas around the forest (matrix), are more important for biodiversity than forest quantity alone. This indicated that not all types of forested green areas have the same importance for biodiversity. An index of forest functional diversity was then calculated for all sampled forests of the area. This could help decision-makers to improve the management of urban green infrastructures with the goal of increasing functionality and ultimately ecosystem services in urban areas. Copyright © 2016 Elsevier Inc. All rights reserved.

A conceptual method for monitoring locust habitat

USGS Publications Warehouse

Howard, Stephen M.; Loveland, Thomas R.; Ohlen, Donald O.; Moore, Donald G.; Gallo, Kevin P.; Olsson, Jonathon

1987-01-01

A procedure to map and monitor vegetation conditions in near-real time was developed at the United States Geological Survey;s Earth Resources Observation Systems Data Center for use in locust control efforts. Meteorological satellite dat were acquired daily for 3 weeks in October and November 1986 over a 1.4-million-square-kilometer study area centered on Botswana in southern Africa. Advanced Very High Resolution Radiometer data were screened to remove cloud-contaminated data and registered to a 1-kilometer geographic base. Each day the normalized difference vegetation index (NDVI) was calculated to determine the presence and relative amounts of green vegetation in the area. Over a 10-day cycle, subsequent dates of NDVI data were composited to fill in data removed by the cloud-screening process. At any pixel location, the maximum NDVI value was retained. At the end of the 10-day cycle, a composite vegetation-greenness map was produced and another cycle started. Greenness-change maps were produced by comparing two 10-day composite greenness images. Automated map production procedures were used to merge the NDVI image data with cartographic data (boundaries, roads, tick marks) digitized from 1:1,000,000-scale operational navigation charts. The vegetation-greenness map shoes the current distribution of vegetation in the region and can be used to locate potential locust breeding area. The change map shows areas where increases and decreases in greenness have occurred between processing cycles. Significant areas of locust damage in remote regions are characterized by an unexpected decrease in greenness. These maps can be used by locust control teams to efficiently target areas for reconnaissance. In general, the procedures and products have utility for resource managers who are required to monitor vegetation resources over large geographic regions.

Seismic source inversion using Green's reciprocity and a 3-D structural model for the Japanese Islands

NASA Astrophysics Data System (ADS)

Simutė, S.; Fichtner, A.

2015-12-01

We present a feasibility study for seismic source inversions using a 3-D velocity model for the Japanese Islands. The approach involves numerically calculating 3-D Green's tensors, which is made efficient by exploiting Green's reciprocity. The rationale for 3-D seismic source inversion has several aspects. For structurally complex regions, such as the Japan area, it is necessary to account for 3-D Earth heterogeneities to prevent unknown structure polluting source solutions. In addition, earthquake source characterisation can serve as a means to delineate existing faults. Source parameters obtained for more realistic Earth models can then facilitate improvements in seismic tomography and early warning systems, which are particularly important for seismically active areas, such as Japan. We have created a database of numerically computed 3-D Green's reciprocals for a 40°× 40°× 600 km size area around the Japanese Archipelago for >150 broadband stations. For this we used a regional 3-D velocity model, recently obtained from full waveform inversion. The model includes attenuation and radial anisotropy and explains seismic waveform data for periods between 10 - 80 s generally well. The aim is to perform source inversions using the database of 3-D Green's tensors. As preliminary steps, we present initial concepts to address issues that are at the basis of our approach. We first investigate to which extent Green's reciprocity works in a discrete domain. Considering substantial amounts of computed Green's tensors we address storage requirements and file formatting. We discuss the importance of the initial source model, as an intelligent choice can substantially reduce the search volume. Possibilities to perform a Bayesian inversion and ways to move to finite source inversion are also explored.

Indocyanine green fluorescence angiography for quantitative evaluation of in situ parathyroid gland perfusion and function after total thyroidectomy.

PubMed

Lang, Brian Hung-Hin; Wong, Carlos K H; Hung, Hing Tsun; Wong, Kai Pun; Mak, Ka Lun; Au, Kin Bun

2017-01-01

Because the fluorescent light intensity on an indocyanine green fluorescence angiography reflects the blood perfusion within a focused area, the fluorescent light intensity in the remaining in situ parathyroid glands may predict postoperative hypocalcemia risk after total thyroidectomy. Seventy patients underwent intraoperative indocyanine green fluorescence angiography after total thyroidectomy. Any parathyroid glands with a vascular pedicle was left in situ while any parathyroid glands without pedicle or inadvertently removed was autotransplanted. After total thyroidectomy, an intravenous 2.5 mg indocyanine green fluorescence angiography was given and real-time fluorescent images of the thyroid bed were recorded using the SPY imaging system (Novadaq, Ontario, Canada). The fluorescent light intensity of each indocyanine green fluorescence angiography as well as the average and greatest fluorescent light intensity in each patient were calculated. Postoperative hypocalcemia was defined as adjusted calcium <2.00 mmol/L within 24 hours. The fluorescent light intensity between discolored and normal-looking indocyanine green fluorescence angiographies was similar (P = .479). No patients with a greatest fluorescent light intensity >150% developed postoperative hypocalcemia while 9 (81.8%) patients with a greatest fluorescent light intensity ≤150% did. Similarly, no patients with an average fluorescent light intensity >109% developed PH while 9 (30%) with an average fluorescent light intensity ≤109% did. The greatest fluorescent light intensity was more predictive than day-0 postoperative hypocalcemia (P = .027) and % PTH drop day-0 to 1 (P < .001). Indocyanine green fluorescence angiography is a promising operative adjunct in determining residual parathyroid glands function and predicting postoperative hypocalcemia risk after total thyroidectomy. Copyright © 2016 Elsevier Inc. All rights reserved.

Effects of volcanic tremor on noise-based measurements of temporal velocity changes at Hawaiian volcanoes

NASA Astrophysics Data System (ADS)

Ballmer, S.; Wolfe, C. J.; Okubo, P.; Haney, M. M.; Thurber, C. H.

2011-12-01

Green's functions calculated with ambient seismic noise may aid in volcano research and monitoring. The continuous character of ambient seismic noise and hence of the reconstructed Green's functions has enabled measurements of short-term (~days) temporal perturbations in seismic velocities. Very small but clear velocity decreases prior to some volcanic eruptions have been documented and motivate our present study. We apply this method to Hawaiian volcanoes using data from the USGS Hawaiian Volcano Observatory (HVO) seismic network. In order to obtain geologically relevant and reliable results, stable Green's functions need to be recovered from the ambient noise. Station timing problems, changes in noise source directivity, as well as changes in the source's spectral content are known biases that critically affect the Green's functions' stability and hence need to be considered. Here we show that volcanic tremor is a potential additional bias. During the time period of our study (2007-present), we find that volcanic tremor is a common feature in the HVO seismic data. Pu'u O'o tremor is continuously present before a dike intrusion into Kilauea's east rift zone in June 2007 and Halema'uma'u tremor occurs before and during resumed Kilauea summit activity from early 2008 and onward. For the frequency band considered (0.1-0.9 Hz), we find that these active tremor sources can drastically modify the recovered Green's functions for station pairs on the entire island at higher (> 0.5 Hz) frequencies, although the effect of tremor appears diminished at lower frequencies. In this presentation, we perform measurements of temporal velocity changes using ambient noise Green's functions and explore how volcanic tremor affects the results. Careful quality assessment of reconstructed Green's functions appears to be essential for the desired high precision measurements.

Determination of focal mechanisms of intermediate-magnitude earthquakes in Mexico, based on Greens functions calculated for a 3D Earth model

NASA Astrophysics Data System (ADS)

Rodrigo Rodríguez Cardozo, Félix; Hjörleifsdóttir, Vala

2015-04-01

One important ingredient in the study of the complex active tectonics in Mexico is the analysis of earthquake focal mechanisms, or the seismic moment tensor. They can be determined trough the calculation of Green functions and subsequent inversion for moment-tensor parameters. However, this calculation is gets progressively more difficult as the magnitude of the earthquakes decreases. Large earthquakes excite waves of longer periods that interact weakly with laterally heterogeneities in the crust. For these earthquakes, using 1D velocity models to compute the Greens fucntions works well. The opposite occurs for smaller and intermediate sized events, where the relatively shorter periods excited interact strongly with lateral heterogeneities in the crust and upper mantle and requires more specific or regional 3D models. In this study, we calculate Greens functions for earthquakes in Mexico using a laterally heterogeneous seismic wave speed model, comprised of mantle model S362ANI (Kustowski et al 2008) and crustal model CRUST 2.0 (Bassin et al 1990). Subsequently, we invert the observed seismograms for the seismic moment tensor using a method developed by Liu et al (2004) an implemented by Óscar de La Vega (2014) for earthquakes in Mexico. By following a brute force approach, in which we include all observed Rayleigh and Love waves of the Mexican National Seismic Network (Servicio Sismológico Naciona, SSN), we obtain reliable focal mechanisms for events that excite a considerable amount of low frequency waves (Mw > 4.8). However, we are not able to consistently estimate focal mechanisms for smaller events using this method, due to high noise levels in many of the records. Excluding the noisy records, or noisy parts of the records manually, requires interactive edition of the data, using an efficient tool for the editing. Therefore, we developed a graphical user interface (GUI), based on python and the python library ObsPy, that allows the edition of observed and synthetic seismograms data such as signal filtering, choosing and disregarding traces and manual adjustment of time windows, to only include segments where the noise are excluded as much as possible. Subsequently, we invert for the seismic moment tensor of events of variable magnitude in the Mexican territory and compare the results to those obtained by other methods. In this presentation we introduce the software and present the results from the moment-tensor inversions.

Electromagnetic response of C 12 : A first-principles calculation

DOE PAGES

Lovato, A.; Gandolfi, S.; Carlson, J.; ...

2016-08-15

Here, the longitudinal and transverse electromagnetic response functions ofmore » $$^{12}$$C are computed in a ``first-principles'' Green's function Monte Carlo calculation, based on realistic two- and three-nucleon interactions and associated one- and two-body currents. We find excellent agreement between theory and experiment and, in particular, no evidence for the quenching of measured versus calculated longitudinal response. This is further corroborated by a re-analysis of the Coulomb sum rule, in which the contributions from the low-lying $$J^\\pi\\,$$=$$\\, 2^+$$, $0^+$ (Hoyle), and $4^+$ states in $$^{12}$$C are accounted for explicitly in evaluating the total inelastic strength.« less

Level Density in the Complex Scaling Method

NASA Astrophysics Data System (ADS)

Suzuki, R.; Myo, T.; Katō, K.

2005-06-01

It is shown that the continuum level density (CLD) at unbound energies can be calculated with the complex scaling method (CSM), in which the energy spectra of bound states, resonances and continuum states are obtained in terms of L(2) basis functions. In this method, the extended completeness relation is applied to the calculation of the Green functions, and the continuum-state part is approximately expressed in terms of discretized complex scaled continuum solutions. The obtained result is compared with the CLD calculated exactly from the scattering phase shift. The discretization in the CSM is shown to give a very good description of continuum states. We discuss how the scattering phase shifts can inversely be calculated from the discretized CLD using a basis function technique in the CSM.

Analysis of Indirect Emissions Benefits of Wind, Landfill Gas, and Municipal Solid Waste Generation

EPA Science Inventory

Techniques are introduced to calculate the hourly indirect emissions benefits of three types of green power resources: wind energy, municipal solid waste (MSW) combustion, and landfill gas (LFG) combustion. These techniques are applied to each of the U.S. EPA's eGRID subregions i...

Drying and control of moisture content and dimensional changes

Treesearch

Richard Bergman

2010-01-01

The discussion in this chapter is concerned with moisture content determination, recommended moisture content values, drying methods, methods of calculating dimensional changes, design factors affecting such changes in structures, and moisture content control during transit, storage, and construction. Data on green moisture content, fiber saturation point, shrinkage,...

Frequency-Domain Green's Functions for Radar Waves in Heterogeneous 2.5D Media

EPA Science Inventory

Green’s functions for radar waves propagating in heterogeneous media may be calculated in the frequency domain using a hybrid of two numerical methods. The model is defined in the Cartesian coordinate system, and its electromagnetic properties may vary in the x and z directions, ...

Excitons and Davydov splitting in sexithiophene from first-principles many-body Green's function theory

NASA Astrophysics Data System (ADS)

Leng, Xia; Yin, Huabing; Liang, Dongmei; Ma, Yuchen

2015-09-01

Organic semiconductors have promising and broad applications in optoelectronics. Understanding their electronic excited states is important to help us control their spectroscopic properties and performance of devices. There have been a large amount of experimental investigations on spectroscopies of organic semiconductors, but theoretical calculation from first principles on this respect is still limited. Here, we use density functional theory (DFT) and many-body Green's function theory, which includes the GW method and Bethe-Salpeter equation, to study the electronic excited-state properties and spectroscopies of one prototypical organic semiconductor, sexithiophene. The exciton energies of sexithiophene in both the gas and bulk crystalline phases are very sensitive to the exchange-correlation functionals used in DFT for ground-state structure relaxation. We investigated the influence of dynamical screening in the electron-hole interaction on exciton energies, which is found to be very pronounced for triplet excitons and has to be taken into account in first principles calculations. In the sexithiophene single crystal, the energy of the lowest triplet exciton is close to half the energy of the lowest singlet one. While lower-energy singlet and triplet excitons are intramolecular Frenkel excitons, higher-energy excitons are of intermolecular charge-transfer type. The calculated optical absorption spectra and Davydov splitting are in good agreement with experiments.

False vacuum decay in quantum mechanics and four dimensional scalar field theory

NASA Astrophysics Data System (ADS)

Bezuglov, Maxim

2018-04-01

When the Higgs boson was discovered in 2012 it was realized that electroweak vacuum may suffer a possible metastability on the Planck scale and can eventually decay. To understand this problem it is important to have reliable predictions for the vacuum decay rate within the framework of quantum field theory. For now, it can only be done at one loop level, which is apparently is not enough. The aim of this work is to develop a technique for the calculation of two and higher order radiative corrections to the false vacuum decay rate in the framework of four dimensional scalar quantum field theory and then apply it to the case of the Standard Model. To achieve this goal, we first start from the case of d=1 dimensional QFT i.e. quantum mechanics. We show that for some potentials two and three loop corrections can be very important and must be taken into account. Next, we use quantum mechanical example as a template for the general d=4 dimensional theory. In it we are concentrating on the calculations of bounce solution and corresponding Green function in so called thin wall approximation. The obtained Green function is then used as a main ingredient for the calculation of two loop radiative corrections to the false vacuum decay rate.

Within What Distance Does “Greenness” Best Predict Physical Health? A Systematic Review of Articles with GIS Buffer Analyses across the Lifespan

PubMed Central

2017-01-01

Is the amount of “greenness” within a 250-m, 500-m, 1000-m or a 2000-m buffer surrounding a person’s home a good predictor of their physical health? The evidence is inconclusive. We reviewed Web of Science articles that used geographic information system buffer analyses to identify trends between physical health, greenness, and distance within which greenness is measured. Our inclusion criteria were: (1) use of buffers to estimate residential greenness; (2) statistical analyses that calculated significance of the greenness-physical health relationship; and (3) peer-reviewed articles published in English between 2007 and 2017. To capture multiple findings from a single article, we selected our unit of inquiry as the analysis, not the article. Our final sample included 260 analyses in 47 articles. All aspects of the review were in accordance with PRISMA guidelines. Analyses were independently judged as more, less, or least likely to be biased based on the inclusion of objective health measures and income/education controls. We found evidence that larger buffer sizes, up to 2000 m, better predicted physical health than smaller ones. We recommend that future analyses use nested rather than overlapping buffers to evaluate to what extent greenness not immediately around a person’s home (i.e., within 1000–2000 m) predicts physical health. PMID:28644420

The Development of a Strategic Prioritisation Method for Green Supply Chain Initiatives.

PubMed

Masoumik, S Maryam; Abdul-Rashid, Salwa Hanim; Olugu, Ezutah Udoncy

2015-01-01

To maintain a competitive position, companies are increasingly required to integrate their proactive environmental strategies into their business strategies. The shift from reactive and compliance-based to proactive and strategic environmental management has driven companies to consider the strategic factors while identifying the areas in which they should focus their green initiatives. In previous studies little attention was given to providing the managers with a basis from which they could strategically prioritise these green initiatives across their companies' supply chains. Considering this lacuna in the literature, we present a decision-making method for prioritising green supply chain initiatives aligned with the preferred green strategies alternatives for the manufacturing companies. To develop this method, the study considered a position between determinism and the voluntarism orientation of environmental management involving both external pressures and internal competitive drivers and key resources as decision factors. This decision-making method was developed using the analytic network process (ANP) technique. The elements of the decision model were derived from the literature. The causal relationships among the multiple decision variables were validated based on the results of structural equation modelling (SEM) using a dataset collected from a survey of the ISO 14001-certified manufacturers in Malaysia. A portion of the relative weights required for computation in ANP was also calculated using the SEM results. A case study is presented to demonstrate the applicability of the method.

The Development of a Strategic Prioritisation Method for Green Supply Chain Initiatives

PubMed Central

Masoumik, S. Maryam; Abdul-Rashid, Salwa Hanim; Olugu, Ezutah Udoncy

2015-01-01

To maintain a competitive position, companies are increasingly required to integrate their proactive environmental strategies into their business strategies. The shift from reactive and compliance-based to proactive and strategic environmental management has driven companies to consider the strategic factors while identifying the areas in which they should focus their green initiatives. In previous studies little attention was given to providing the managers with a basis from which they could strategically prioritise these green initiatives across their companies’ supply chains. Considering this lacuna in the literature, we present a decision-making method for prioritising green supply chain initiatives aligned with the preferred green strategies alternatives for the manufacturing companies. To develop this method, the study considered a position between determinism and the voluntarism orientation of environmental management involving both external pressures and internal competitive drivers and key resources as decision factors. This decision-making method was developed using the analytic network process (ANP) technique. The elements of the decision model were derived from the literature. The causal relationships among the multiple decision variables were validated based on the results of structural equation modelling (SEM) using a dataset collected from a survey of the ISO 14001-certified manufacturers in Malaysia. A portion of the relative weights required for computation in ANP was also calculated using the SEM results. A case study is presented to demonstrate the applicability of the method. PMID:26618353

Numerical evaluation of longitudinal motions of Wigley hulls advancing in waves by using Bessho form translating-pulsating source Green'S function

NASA Astrophysics Data System (ADS)

Xiao, Wenbin; Dong, Wencai

2016-06-01

In the framework of 3D potential flow theory, Bessho form translating-pulsating source Green's function in frequency domain is chosen as the integral kernel in this study and hybrid source-and-dipole distribution model of the boundary element method is applied to directly solve the velocity potential for advancing ship in regular waves. Numerical characteristics of the Green function show that the contribution of local-flow components to velocity potential is concentrated at the nearby source point area and the wave component dominates the magnitude of velocity potential in the far field. Two kinds of mathematical models, with or without local-flow components taken into account, are adopted to numerically calculate the longitudinal motions of Wigley hulls, which demonstrates the applicability of translating-pulsating source Green's function method for various ship forms. In addition, the mesh analysis of discrete surface is carried out from the perspective of ship-form characteristics. The study shows that the longitudinal motion results by the simplified model are somewhat greater than the experimental data in the resonant zone, and the model can be used as an effective tool to predict ship seakeeping properties. However, translating-pulsating source Green function method is only appropriate for the qualitative analysis of motion response in waves if the ship geometrical shape fails to satisfy the slender-body assumption.

Petrology and tectonic history of the Green Bay Schist, Portmore, St. Catherine Parish, Jamaica

USGS Publications Warehouse

Abbott, Richard N.; West, David P.; Bandy, Betsy R.; McAleer, Ryan J.

2016-01-01

There are three occurrences of medium- to high-grade metamorphic rocks in Jamaica: amphibolite facies Westphalia Schist, blueschist/greenschist facies Mt. Hibernia Schist, and the hitherto poorly characterized amphibolite facies Green Bay Schist. New trace element data and thermodynamic calculations show that Green Bay Schist is closely related to Westphalia Schist. The protoliths for both are very similiar (basalt-andesitic basalt, C-MORB), consistent with a subducted ocean-ridge tectonic environment, hence arc-related. The protolith for Mt. Hibernia Schist is quite different (basalt, P-MORB), related to the Caribbean Large Igneous Province. Whereas the P-T-t paths for Green Bay Schist and Westphalia Schist prior to the middle Campanian (>78 Ma) are inferred to be similar, the late Campanian, Maastrichtian and Cenozoic P-T-t paths are very different. New 40Ar/39Ar age determinations show the following: (1) While the difference in the late Campanian and Maastrichtian remains problematic, (2) the difference in the Cenozoic clearly reflects the location relative to the NW-trending, NE-dipping Wagwater Fault: Westphalia Schist to the NE (hanging wall); Green Bay Schist to the SW (foot wall). The Cenozoic P-T-t paths are complementary, and consistent with the behavior of the Wagwater Fault: 65-50 Ma, normal motion (transtension); 50-10 Ma, inactive (quiescent); 10 Ma-present, reverse motion (transpression).

Physicochemical and physiological basis of dichromatic colour

NASA Astrophysics Data System (ADS)

Kreft, Samo; Kreft, Marko

2007-11-01

Out of three perceptual characteristics of the colour of any substance, the hue depends mostly on the spectral properties of a substance, while the brightness and saturation depend also on the concentration of a substance and its thickness. Here, we report that evident change of the hue of the colour (i.e., from green to red) is due to a change in concentration or the thickness of a layer in some exceptional substances such as pumpkin seed oil or an aqueous solution of bromophenol blue. In some regions of Central Europe, salad dressing is made preferably with the pumpkin seed oil, which has a strong characteristic nut-like taste and remarkable properties of the colour: it appears red in a bottle, but green when served as a salad dressing. The colour of the pumpkin seed oil was previously described as brownish yellow, dark green, dark green to red ochre or dark reddish brown to light yellow green. We elucidated the physicochemical and physiological basis of such dichromatism by Beer-Lambert law and by the characteristics of human colour perception. Our concept was corroborated by the outcome of calculations of colour from spectral properties using colour matching functions. We found that dichromatism is observed if the absorption spectrum of any substance has at least two local minima: one wide but shallow and one narrow but deep local minimum.

Comparison of nested-multiplex, Taqman & SYBR Green real-time PCR in diagnosis of amoebic liver abscess in a tertiary health care institute in India.

PubMed

Dinoop, K P; Parija, Subhash Chandra; Mandal, Jharna; Swaminathan, R P; Narayanan, P

2016-01-01

Amoebiasis is a common parasitic infection caused by Entamoeba histolytica and amoebic liver abscess (ALA) is the most common extraintestinal manifestation of amoebiasis. The aim of this study was to standardise real-time PCR assays (Taqman and SYBR Green) to detect E. histolytica from liver abscess pus and stool samples and compare its results with nested-multiplex PCR. Liver abscess pus specimens were subjected to DNA extraction. The extracted DNA samples were subjected to amplification by nested-multiplex PCR, Taqman (18S rRNA) and SYBR Green real-time PCR (16S-like rRNA assays to detect E. histolytica/E. dispar/E. moshkovskii). The amplification products were further confirmed by DNA sequence analysis. Receiver operator characteristic (ROC) curve analysis was done for nested-multiplex and SYBR Green real-time PCR and the area under the curve was calculated for evaluating the accuracy of the tests to dignose ALA. In all, 17, 19 and 25 liver abscess samples were positive for E. histolytica by nested-multiplex PCR, SYBR Green and Taqman real-time PCR assays, respectively. Significant differences in detection of E. histolytica were noted in the real-time PCR assays evaluated ( P<0.0001). The nested-multiplex PCR, SYBR Green real-time PCR and Taqman real-time PCR evaluated showed a positivity rate of 34, 38 and 50 per cent, respectively. Based on ROC curve analysis (considering Taqman real-time PCR as the gold standard), it was observed that SYBR Green real-time PCR was better than conventional nested-multiplex PCR for the diagnosis of ALA. Taqman real-time PCR targeting the 18S rRNA had the highest positivity rate evaluated in this study. Both nested multiplex and SYBR Green real-time PCR assays utilized were evaluated to give accurate results. Real-time PCR assays can be used as the gold standard in rapid and reliable diagnosis, and appropriate management of amoebiasis, replacing the conventional molecular methods.

Effect of Catechins, Green tea Extract and Methylxanthines in Combination with Gentamicin Against Staphylococcus aureus and Pseudomonas aeruginosa

PubMed Central

Fazly Bazzaz, Bibi Sedigheh; Sarabandi, Sahar; Khameneh, Bahman; Hosseinzadeh, Hossein

2016-01-01

Objectives: Bacterial resistant infections have become a global health challenge and threaten the society’s health. Thus, an urgent need exists to find ways to combat resistant pathogens. One promising approach to overcoming bacterial resistance is the use of herbal products. Green tea catechins, the major green tea polyphenols, show antimicrobial activity against resistant pathogens. The present study aimed to investigate the effect of catechins, green tea extract, and methylxanthines in combination with gentamicin against standard and clinical isolates of Staphylococcus aureus (S. aureus) and the standard strain of Pseudomonas aeruginosa (P. aeruginosa). Methods: The minimum inhibitory concentration (MIC) and the minimum bactericidal concentration (MBC) values of different agents against bacterial strains were determined. The interactions of green tea extract, epigallate catechin, epigallocatechin gallate, two types of methylxanthine, caffeine, and theophylline with gentamicin were studied in vitro by using a checkerboard method and calculating the fraction inhibitory concentration index (FICI). Results: The MICs of gentamicin against bacterial strains were in the range of 0.312 - 320 μg/mL. The MIC values of both types of catechins were 62.5 - 250 μg/ mL. Green tea extract showed insufficient antibacterial activity when used alone. Methylxanthines had no intrinsic inhibitory activity against any of the bacterial strains tested. When green tea extract and catechins were combined with gentamicin, the MIC values of gentamicin against the standard strains and a clinical isolate were reduced, and synergistic activities were observed (FICI < 1). A combination of caffeine with gentamicin did not alter the MIC values of gentamicin. Conclusion: The results of the present study revealed that green tea extract and catechins potentiated the antimicrobial action of gentamicin against some clinical isolates of S. aureus and standard P. aeruginosa strains. Therefore, combinations of gentamicin with these natural compounds might be a promising approach to combat microbial resistance. PMID:28097041

Tracking vegetation phenology across diverse North American biomes using PhenoCam imagery

DOE PAGES

Richardson, Andrew D.; Hufkens, Koen; Milliman, Tom; ...

2018-03-13

Vegetation phenology controls the seasonality of many ecosystem processes, as well as numerous biosphere-atmosphere feedbacks. Phenology is also highly sensitive to climate change and variability. Here we present a series of datasets, together consisting of almost 750 years of observations, characterizing vegetation phenology in diverse ecosystems across North America. Our data are derived from conventional, visible-wavelength, automated digital camera imagery collected through the PhenoCam network. For each archived image, we extracted RGB (red, green, blue) colour channel information, with means and other statistics calculated across a region-of-interest (ROI) delineating a specific vegetation type. From the high-frequency (typically, 30 min) imagery,more » we derived time series characterizing vegetation colour, including "canopy greenness", processed to 1- and 3-day intervals. For ecosystems with one or more annual cycles of vegetation activity, we provide estimates, with uncertainties, for the start of the "greenness rising" and end of the "greenness falling" stages. Lastly, the database can be used for phenological model validation and development, evaluation of satellite remote sensing data products, benchmarking earth system models, and studies of climate change impacts on terrestrial ecosystems.« less

Green Space and Deaths Attributable to the Urban Heat Island Effect in Ho Chi Minh City.

PubMed

Dang, Tran Ngoc; Van, Doan Quang; Kusaka, Hiroyuki; Seposo, Xerxes T; Honda, Yasushi

2018-04-01

To quantify heat-related deaths in Ho Chi Minh City, Vietnam, caused by the urban heat island (UHI) and explore factors that may alleviate the impact of UHIs. We estimated district-specific meteorological conditions from 2010 to 2013 using the dynamic downscaling model and calculated the attributable fraction and number of mortalities resulting from the total, extreme, and mild heat in each district. The difference in attributable fraction of total heat between the central and outer districts was classified as the attributable fraction resulting from the UHI. The association among attributable fraction, attributable number with a green space, population density, and budget revenue of each district was then explored. The temperature-mortality relationship between the central and outer areas was almost identical. The attributable fraction resulting from the UHI was 0.42%, which was contributed by the difference in temperature distribution between the 2 areas. Every 1-square-kilometer increase in green space per 1000 people can prevent 7.4 deaths caused by heat. Green space can alleviate the impacts of UHIs, although future studies conducting a heath economic evaluation of tree planting are warranted.

[Effects of green space vegetation canopy pattern on the microclimate in residential quarters of Shenzhen City].

PubMed

Li, Ying-Han; Wang, Jun-Jian; Chen, Xue; Sun, Jian-Lin; Zeng, Hui

2011-02-01

Based on field survey and landscape pattern analysis, this paper studied the effects of green space vegetation canopy on the microclimate in three typical residential quarters in Shenzhen City. In each of the residential quarters, 22-26 points were chosen for meteorological observation; and around each of the observation points, a 20 m x 20 m quadrat was installed, with each quadrat divided into two different patches, one covered by vegetation canopy and the another no-covered. The patch density index (D(p)) and contagion index (CONTAG) in each quadrat were calculated to analyze the relationships between vegetation canopy pattern index and microclimate in each point. The results showed that the green space vegetation canopy pattern in Shenzhen had significant regulation effect on temperature and humidity. The cooling effect was mainly from the shading effect of vegetation, and also, correlated with vegetation quantity. The increase in the CONTAG of bare surface had obvious negative effects on the regulation effect of vegetation on microclimate. The regulation capability of green space vegetation on the temperature and humidity in residential quarters mainly came from tall arbor species.

Tracking vegetation phenology across diverse North American biomes using PhenoCam imagery

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

Richardson, Andrew D.; Hufkens, Koen; Milliman, Tom

Vegetation phenology controls the seasonality of many ecosystem processes, as well as numerous biosphere-atmosphere feedbacks. Phenology is also highly sensitive to climate change and variability. Here we present a series of datasets, together consisting of almost 750 years of observations, characterizing vegetation phenology in diverse ecosystems across North America. Our data are derived from conventional, visible-wavelength, automated digital camera imagery collected through the PhenoCam network. For each archived image, we extracted RGB (red, green, blue) colour channel information, with means and other statistics calculated across a region-of-interest (ROI) delineating a specific vegetation type. From the high-frequency (typically, 30 min) imagery,more » we derived time series characterizing vegetation colour, including "canopy greenness", processed to 1- and 3-day intervals. For ecosystems with one or more annual cycles of vegetation activity, we provide estimates, with uncertainties, for the start of the "greenness rising" and end of the "greenness falling" stages. Lastly, the database can be used for phenological model validation and development, evaluation of satellite remote sensing data products, benchmarking earth system models, and studies of climate change impacts on terrestrial ecosystems.« less

Green Space and Deaths Attributable to the Urban Heat Island Effect in Ho Chi Minh City

PubMed Central

Van, Doan Quang; Kusaka, Hiroyuki; Seposo, Xerxes T.; Honda, Yasushi

2018-01-01

Objectives. To quantify heat-related deaths in Ho Chi Minh City, Vietnam, caused by the urban heat island (UHI) and explore factors that may alleviate the impact of UHIs. Methods. We estimated district-specific meteorological conditions from 2010 to 2013 using the dynamic downscaling model and calculated the attributable fraction and number of mortalities resulting from the total, extreme, and mild heat in each district. The difference in attributable fraction of total heat between the central and outer districts was classified as the attributable fraction resulting from the UHI. The association among attributable fraction, attributable number with a green space, population density, and budget revenue of each district was then explored. Results. The temperature–mortality relationship between the central and outer areas was almost identical. The attributable fraction resulting from the UHI was 0.42%, which was contributed by the difference in temperature distribution between the 2 areas. Every 1-square-kilometer increase in green space per 1000 people can prevent 7.4 deaths caused by heat. Conclusions. Green space can alleviate the impacts of UHIs, although future studies conducting a heath economic evaluation of tree planting are warranted. PMID:29072938

Light-emitting properties of cationic iridium complexes containing phenanthroline based ancillary ligand with blue-green and green emission colors

NASA Astrophysics Data System (ADS)

Kwon, Yiseul; Sunesh, Chozhidakath Damodharan; Choe, Youngson

2015-01-01

We report here two new cationic iridium(III) complexes with phenanthroline-based ancillary ligands, [Ir(dfppy)2(dibutyl-phen)]PF6 (Complex 1) and [Ir(ppz)2(dibutyl-phen)]PF6 (Complex 2) and their uses in light-emitting electrochemical cells (LECs). The design is based on 2-(2,4-difluorophenyl)pyridine (dfppy) and 1-phenylpyrazole (ppz) as the cyclometalating ligands and 2,9-dibutyl-1,10-phenanthroline (dibutyl-phen) as the ancillary ligand. The photophysical and electrochemical properties of the complexes were studied and the results obtained were corroborated with theoretical density functional theory (DFT) calculations. LECs were fabricated incorporating each complexes which resulted in blue-green light emission (502 nm) with Commission Internationale de l'Eclairage (CIE) coordinates of (0.26, 0.49) for Complex 1 and green (530 nm) electroluminescence with CIE coordinates of (0.33, 0.54) for Complex 2. The luminance and the current efficiency of the LECs based on Complex 1 are 947 cd m-2 and 0.25 cd A-1, respectively, which are relatively higher than that of Complex 2 with a maximum luminance of 773 cd m-2 and an efficiency of 0.16 cd A-1.

Green Adsorbents for Wastewaters: A Critical Review

PubMed Central

Kyzas, George Z.; Kostoglou, Margaritis

2014-01-01

One of the most serious environmental problems is the existence of hazardous and toxic pollutants in industrial wastewaters. The major hindrance is the simultaneous existence of many/different types of pollutants as (i) dyes; (ii) heavy metals; (iii) phenols; (iv) pesticides and (v) pharmaceuticals. Adsorption is considered to be one of the most promising techniques for wastewater treatment over the last decades. The economic crisis of the 2000s led researchers to turn their interest in adsorbent materials with lower cost. In this review article, a new term will be introduced, which is called “green adsorption”. Under this term, it is meant the low-cost materials originated from: (i) agricultural sources and by-products (fruits, vegetables, foods); (ii) agricultural residues and wastes; (iii) low-cost sources from which most complex adsorbents will be produced (i.e., activated carbons after pyrolysis of agricultural sources). These “green adsorbents” are expected to be inferior (regarding their adsorption capacity) to the super-adsorbents of previous literature (complex materials as modified chitosans, activated carbons, structurally-complex inorganic composite materials etc.), but their cost-potential makes them competitive. This review is a critical approach to green adsorption, discussing many different (maybe in some occasions doubtful) topics such as: (i) adsorption capacity; (ii) kinetic modeling (given the ultimate target to scale up the batch experimental data to fixed-bed column calculations for designing/optimizing commercial processes) and (iii) critical techno-economical data of green adsorption processes in order to scale-up experiments (from lab to industry) with economic analysis and perspectives of the use of green adsorbents. PMID:28788460

Do Doppler color flow algorithms for mapping disturbed flow make sense?

PubMed

Gardin, J M; Lobodzinski, S M

1990-01-01

It has been suggested that a major advantage of Doppler color flow mapping is its ability to visualize areas of disturbed ("turbulent") flow, for example, in valvular stenosis or regurgitation and in shunts. To investigate how various color flow mapping instruments display disturbed flow information, color image processing was used to evaluate the most common velocity-variance color encoding algorithms of seven commercially available ultrasound machines. In six of seven machines, green was reportedly added by the variance display algorithms to map areas of disturbed flow. The amount of green intensity added to each pixel along the red and blue portions of the velocity reference color bar was calculated for each machine. In this study, velocities displayed on the reference color bar ranged from +/- 46 to +/- 64 cm/sec, depending on the Nyquist limit. Of note, changing the Nyquist limits depicted on the color reference bars did not change the distribution of the intensities of red, blue, or green within the contour of the reference map, but merely assigned different velocities to the pixels. Most color flow mapping algorithms in our study added increasing intensities of green to increasing positive (red) or negative (blue) velocities along their color reference bars. Most of these machines also added increasing green to red and blue color intensities horizontally across their reference bars as a marker of increased variance (spectral broadening). However, at any given velocity, marked variations were noted between different color flow mapping instruments in the amount of green added to their color velocity reference bars.(ABSTRACT TRUNCATED AT 250 WORDS)

Intake of green tea inhibited increase of salivary chromogranin A after mental task stress loads

PubMed Central

2014-01-01

Background Green tea has become renowned for its health benefits. In this study, we investigated the anti-stress effect of two kinds of green tea against a mental stress task load. Methods Warm water, ordinary green tea (Sagara), and shaded white tea, which contains more amino acid components than Sagara, were used as test samples in a randomized cross-over design study. Eighteen students (nine male and nine female) participated in three experimental trials on different days at intervals of seven days. Saliva was collected before beverage intake and after performing the mental stress load tasks. Concentration of chromogranin A (CgA) in the saliva was used as an index of autonomic nervous system activity. Results CgA level increased after the mental tasks, but intake of green tea inhibited this increase; the anti-stress effect was even greater after consumption of shaded white tea. Intake of shaded white tea also lowered Total Mood Disturbance (TMD) score on the Profile of Mood States (POMS); subjects in this condition tended to perform more calculations in the arithmetic task than those in the warm water treatment condition. Conclusions Salivary CgA concentration levels increased after mental stress load tasks, but ingestion of green tea inhibited this increase. This anti-stress effect was larger after the consumption of shaded white tea than after Sagara. Shaded white tea intake also lowered TMD score (POMS) and tended to improve performance on an arithmetic task compared to warm water, suggesting that shaded white tea might also improve mood during and after mental stress load. PMID:25034805

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

Rosales-Zarate, Laura E. C.; Drummond, P. D.

We calculate the quantum Renyi entropy in a phase-space representation for either fermions or bosons. This can also be used to calculate purity and fidelity, or the entanglement between two systems. We show that it is possible to calculate the entropy from sampled phase-space distributions in normally ordered representations, although this is not possible for all quantum states. We give an example of the use of this method in an exactly soluble thermal case. The quantum entropy cannot be calculated at all using sampling methods in classical symmetric (Wigner) or antinormally ordered (Husimi) phase spaces, due to inner-product divergences. Themore » preferred method is to use generalized Gaussian phase-space methods, which utilize a distribution over stochastic Green's functions. We illustrate this approach by calculating the reduced entropy and entanglement of bosonic or fermionic modes coupled to a time-evolving, non-Markovian reservoir.« less

Computational modeling of properties

NASA Technical Reports Server (NTRS)

Franz, Judy R.

1994-01-01

A simple model was developed to calculate the electronic transport parameters in disordered semiconductors in strong scattered regime. The calculation is based on a Green function solution to Kubo equation for the energy-dependent conductivity. This solution together with a rigorous calculation of the temperature-dependent chemical potential allows the determination of the dc conductivity and the thermopower. For wise-gap semiconductors with single defect bands, these transport properties are investigated as a function of defect concentration, defect energy, Fermi level, and temperature. Under certain conditions the calculated conductivity is quite similar to the measured conductivity in liquid II-VI semiconductors in that two distinct temperature regimes are found. Under different conditions the conductivity is found to decrease with temperature; this result agrees with measurements in amorphous Si. Finally the calculated thermopower can be positive or negative and may change sign with temperature or defect concentration.

Computational modeling of properties

NASA Technical Reports Server (NTRS)

Franz, Judy R.

1994-01-01

A simple model was developed to calculate the electronic transport parameters in disordered semiconductors in strong scattered regime. The calculation is based on a Green function solution to Kubo equation for the energy-dependent conductivity. This solution together with a rigorous calculation of the temperature-dependent chemical potential allows the determination of the dc conductivity and the thermopower. For wide-gap semiconductors with single defect bands, these transport properties are investigated as a function of defect concentration, defect energy, Fermi level, and temperature. Under certain conditions the calculated conductivity is quite similar to the measured conductivity in liquid 2-6 semiconductors in that two distinct temperature regimes are found. Under different conditions the conductivity is found to decrease with temperature; this result agrees with measurements in amorphous Si. Finally the calculated thermopower can be positive or negative and may change sign with temperature or defect concentration.

Mechanism for the Green Glow of the Upper Ionosphere

NASA Technical Reports Server (NTRS)

Guberman, Steven L.

1997-01-01

The generation of the green line of atomic oxygen by dissociative recombination of 02 plus occurs by the capture of an electron into a repulsive state of 02 followed by dissociation along another state of a different electronic symmetry. The two states are coupled together by mixed symmetry Rydberg states. Quantum chemical calculations give a rate coefficient at room temperature of (0.39 (+ 0.31 or -0.19)) x 10 exp -8 cubic centimeters per second. The quantum yield of excited oxygen is within the range deduced from ground, rocket, and satellite observations. The rate coefficients and yields are needed in models of the optical emission, chemistry, and energy balance of planetary ionospheres.

Multicolor upconversion emission from Tm3++Ho3++Yb3+ codoped tellurite glass on NIR excitations

NASA Astrophysics Data System (ADS)

Giri, N. K.; Rai, D. K.; Rai, S. B.

2008-06-01

Multicolor emission has been produced using 798 nm and 980 nm laser excitation in a Tm3++Ho3++Yb3+ codoped tellurite based glass. This glass generates simultaneously red, green and blue (RGB) emission on 798 nm excitation. Multicolor emission thus obtained was tuned to white luminescence by adjusting the Ho3+ ion concentration. There is a close match between the calculated color coordinate for the white luminescence obtained here and the point of equal energy which represents white in the 1931 CIE chromaticity diagram. The 980 nm excitation of the same sample on the other hand gives intense green and red emission and the glass appears greenish.

Microcavity organic light-emitting diodes for strongly directed pure red, green, and blue emissions

NASA Astrophysics Data System (ADS)

Tokito, Shizuo; Tsutsui, Tetsuo; Taga, Yasunori

1999-09-01

In this article we demonstrate strongly directed pure red, green, and blue emissions in the organic light-emitting diodes (OLEDs) with a planar microcavity defined by a pair of dielectric mirror and a metal mirror. By careful control of the cavity mode and the position of the resonance wavelength, the strong directionality in the forward direction as well as the spectral narrowing and the intensity enhancement are realized in the microcavity OLEDs. The intensity enhancements at the resonance wavelength are 1.5-5 compared to the noncavity OLEDs, and the chromaticity coordinates of the emission colors are the ideal primary colors. The experimental results are compared to theoretically calculated ones.

A simple and portable colorimeter using a red-green-blue light-emitting diode and its application to the on-site determination of nitrite and iron in river-water.

PubMed

Suzuki, Yasutada; Aruga, Terutomi; Kuwahara, Hiroyuki; Kitamura, Miki; Kuwabara, Tetsuo; Kawakubo, Susumu; Iwatsuki, Masaaki

2004-06-01

A portable colorimeter using a red-green-blue light-emitting diode as a light source has been developed. An embedded controller sequentially turns emitters on and off, and acquires the signals detected by two photo diodes synchronized with their blinking. The controller calculates the absorbance and displays it on a liquid-crystal display. The whole system, including a 006P dry cell, is contained in a 100 x 70 x 50 mm aluminum case and its mass is 280 g. This colorimeter was successfully applied to the on-site determination of nitrite and iron in river-water.

Radiative transfer in multilayered random medium with laminar structure - Green's function approach

NASA Technical Reports Server (NTRS)

Karam, M. A.; Fung, A. K.

1986-01-01

For a multilayered random medium with a laminar structure a Green's function approach is introduced to obtain the emitted intensity due to an arbitrary point source. It is then shown that the approach is applicable to both active and passive remote sensing. In active remote sensing, the computed radar backscattering cross section for the multilayered medium includes the effects of both volume multiple scattering and surface multiple scattering at the layer boundaries. In passive remote sensing, the brightness temperature is obtained for arbitrary temperature profiles in the layers. As an illustration the brightness temperature and reflectivity are calculated for a bounded layer and compared with results in the literature.

Transdisciplinary integration and interfacing software in mechatronic system for carbon sequestration and harvesting energy in the agricultural soils for rewarding farmers through green certificates

NASA Astrophysics Data System (ADS)

Pop, P. P.; Pop-Vadean, A.; Barz, C.; Latinovic, T.

2017-01-01

In this article we will present a transdisciplinary approach to carbon sequestration in agricultural soils. The software provides a method proposed to measure the amount of carbon that can be captured from different soil types and different crop. The application has integrated an intuitive interface, is portable and calculate the number of green certificates as a reward for farmers financial support for environmental protection. We plan to initiate a scientific approach to environmental protection through financial incentives for agriculture fits in EU rules by taxing big polluters and rewarding those who maintain a suitable environment for the development of ecological and competitive agriculture.

Adaptive Green-Kubo estimates of transport coefficients from molecular dynamics based on robust error analysis.

PubMed

Jones, Reese E; Mandadapu, Kranthi K

2012-04-21

We present a rigorous Green-Kubo methodology for calculating transport coefficients based on on-the-fly estimates of: (a) statistical stationarity of the relevant process, and (b) error in the resulting coefficient. The methodology uses time samples efficiently across an ensemble of parallel replicas to yield accurate estimates, which is particularly useful for estimating the thermal conductivity of semi-conductors near their Debye temperatures where the characteristic decay times of the heat flux correlation functions are large. Employing and extending the error analysis of Zwanzig and Ailawadi [Phys. Rev. 182, 280 (1969)] and Frenkel [in Proceedings of the International School of Physics "Enrico Fermi", Course LXXV (North-Holland Publishing Company, Amsterdam, 1980)] to the integral of correlation, we are able to provide tight theoretical bounds for the error in the estimate of the transport coefficient. To demonstrate the performance of the method, four test cases of increasing computational cost and complexity are presented: the viscosity of Ar and water, and the thermal conductivity of Si and GaN. In addition to producing accurate estimates of the transport coefficients for these materials, this work demonstrates precise agreement of the computed variances in the estimates of the correlation and the transport coefficient with the extended theory based on the assumption that fluctuations follow a Gaussian process. The proposed algorithm in conjunction with the extended theory enables the calculation of transport coefficients with the Green-Kubo method accurately and efficiently.

Adaptive Green-Kubo estimates of transport coefficients from molecular dynamics based on robust error analysis

NASA Astrophysics Data System (ADS)

Jones, Reese E.; Mandadapu, Kranthi K.

2012-04-01

We present a rigorous Green-Kubo methodology for calculating transport coefficients based on on-the-fly estimates of: (a) statistical stationarity of the relevant process, and (b) error in the resulting coefficient. The methodology uses time samples efficiently across an ensemble of parallel replicas to yield accurate estimates, which is particularly useful for estimating the thermal conductivity of semi-conductors near their Debye temperatures where the characteristic decay times of the heat flux correlation functions are large. Employing and extending the error analysis of Zwanzig and Ailawadi [Phys. Rev. 182, 280 (1969)], 10.1103/PhysRev.182.280 and Frenkel [in Proceedings of the International School of Physics "Enrico Fermi", Course LXXV (North-Holland Publishing Company, Amsterdam, 1980)] to the integral of correlation, we are able to provide tight theoretical bounds for the error in the estimate of the transport coefficient. To demonstrate the performance of the method, four test cases of increasing computational cost and complexity are presented: the viscosity of Ar and water, and the thermal conductivity of Si and GaN. In addition to producing accurate estimates of the transport coefficients for these materials, this work demonstrates precise agreement of the computed variances in the estimates of the correlation and the transport coefficient with the extended theory based on the assumption that fluctuations follow a Gaussian process. The proposed algorithm in conjunction with the extended theory enables the calculation of transport coefficients with the Green-Kubo method accurately and efficiently.

Turn-off fluorescence sensor for the detection of ferric ion in water using green synthesized N-doped carbon dots and its bio-imaging.

PubMed

Edison, Thomas Nesakumar Jebakumar Immanuel; Atchudan, Raji; Shim, Jae-Jin; Kalimuthu, Senthilkumar; Ahn, Byeong-Cheol; Lee, Yong Rok

2016-05-01

This paper reports turn-off fluorescence sensor for Fe(3+) ion in water using fluorescent N-doped carbon dots as a probe. A simple and efficient hydrothermal carbonization of Prunus avium fruit extract for the synthesis of fluorescent nitrogen-doped carbon dots (N-CDs) is described. This green approach proceeds quickly and provides good quality N-CDs. The mean size of synthesized N-CDs was approximately 7nm calculated from the high-resolution transmission electron microscopic images. X-ray photoelectron spectroscopy and Fourier transform infrared spectroscopy revealed the presence of -OH, -NH2, -COOH, and -CO functional groups over the surface of CDs. The N-CDs showed excellent fluorescent properties, and emitted blue fluorescence at 411nm upon excitation at 310nm. The calculated quantum yield of the synthesized N-CDs is 13% against quinine sulfate as a reference fluorophore. The synthesized N-CDs were used as a fluorescent probe towards the selective and sensitive detection of biologically important Fe(3+) ions in water by fluorescence spectroscopy and for bio-imaging of MDA-MB-231 cells. The limit of detection (LOD) and the Stern-Volmer quenching constant for the synthesized N-CDs were 0.96μM and 2.0958×10(3)M of Fe(3+) ions. The green synthesized N-CDs are efficiently used as a promising candidate for the detection of Fe(3+) ions and bio-imaging. Copyright © 2016 Elsevier B.V. All rights reserved.

Assessment of in-place oil shale resources of the Eocene Green River Formation, a foundation for calculating recoverable resources

USGS Publications Warehouse

Johnson, Ronald C.; Mercier, Tracy

2011-01-01

The recently completed assessment of in-place resources of the Eocene Green River Formation in the Piceance Basin, Colorado; the Uinta Basin, Utah and Colorado; and the Greater Green River Basin Wyoming, Colorado, and Utah and their accompanying ArcGIS projects will form the foundation for estimating technically-recoverable resources in those areas. Different estimates will be made for each of the various above-ground and in-situ recovery methodologies currently being developed. Information required for these estimates include but are not limited to (1) estimates of the amount of oil shale that exceeds various grades, (2) overburden calculations, (3) a better understanding of oil shale saline facies, and (4) a better understanding of the distribution of various oil shale mineral facies. Estimates for the first two are on-going, and some have been published. The present extent of the saline facies in all three basins is fairly well understood, however, their original extent prior to ground water leaching has not been studied in detail. These leached intervals, which have enhanced porosity and permeability due to vugs and fractures and contain significant ground water resources, are being studied from available core descriptions. A database of all available xray mineralogy data for the oil shale interval is being constructed to better determine the extents of the various mineral facies. Once these studies are finished, the amount of oil shale with various mineralogical and physical properties will be determined.

Accuracy and reproducibility of the measurement of actively circulating blood volume with an integrated fiberoptic monitoring system.

PubMed

Kisch, H; Leucht, S; Lichtwarck-Aschoff, M; Pfeiffer, U J

1995-05-01

Bedside monitoring of circulating blood volume has become possible with the introduction of an integrated fiberoptic monitoring system that calculates blood volume from the changes in blood concentration of indocyanine green dye 4 mins after injection. The aim of this investigation was to compare the blood volume estimate of the integrated fiberoptic monitoring system (group 1) with the standard methods of blood volume measurement using Evans blue (group 2), and indocyanine green measured photometrically (group 3). Prospective laboratory study. Animal laboratory of a University's institute for experimental surgery. Eleven anesthetized, paralyzed, and mechanically ventilated piglets. A central venous catheter was used for the injection of the indicator dyes (Evans blue and indocyanine green). A fiberoptic thermistor catheter was advanced into the thoracic aorta. The fiberoptic catheter detects indocyanine green by reflection densitometry for the estimation of blood volume of the integrated fiberoptic monitoring system. Samples for the determination of Evans blue and indocyanine green concentrations were drawn from an arterial catheter in the femoral artery over a period of 17 mins after injection. Measurements were performed during normovolemia, hypovolemia (blood withdrawal of < or = 30 mL/kg), and hypervolemia (retransfusion of the withdrawn blood plus an infusion of 10% hydroxyethyl starch [45 mL/kg]). Linear regression, correlation, and bias were calculated for the comparison of the blood volume estimates by the fiberoptic monitoring system (group 1) vs. the total blood volume estimates using Evans blue (group 2) and indocyanine green (group 3): group 1 = 0.82.group 2-26 mL; r2 = 82.71%; r = .91; n = 40; group 1-group 2 +/- 1 SD = -435 +/- 368 mL; group 1 = 0.79.group 3 + 50 mL; r2 = 74.81%; r = .87; n = 28; group 1-group 3 +/- 1 SD = -506 +/- 374 mL. The results demonstrate that the blood volume estimate of the fiberoptic monitoring system (group 1) correlates closely with the total blood volume measurement using Evans blue (group 2) and indocyanine green (group 3). Trapped indicator in the packed red cell column after centrifugation of the blood samples may account for an overestimation of group 2 and group 3 of approximately 10% to 14%, but there still remains a proportional difference of 10% between group 1 vs. group 2 and vs. group 3. This difference is due to the longer mixing times of group 3 (16 mins) and group 2 (17 mins), during which they are distributed in slowly exchanging blood pools. It seems that the blood volume estimate of the fiberoptic monitoring system (group 1) represents the actively circulating blood volume and may be useful for bedside monitoring.

Method to manage integration error in the Green-Kubo method.

PubMed

Oliveira, Laura de Sousa; Greaney, P Alex

2017-02-01

The Green-Kubo method is a commonly used approach for predicting transport properties in a system from equilibrium molecular dynamics simulations. The approach is founded on the fluctuation dissipation theorem and relates the property of interest to the lifetime of fluctuations in its thermodynamic driving potential. For heat transport, the lattice thermal conductivity is related to the integral of the autocorrelation of the instantaneous heat flux. A principal source of error in these calculations is that the autocorrelation function requires a long averaging time to reduce remnant noise. Integrating the noise in the tail of the autocorrelation function becomes conflated with physically important slow relaxation processes. In this paper we present a method to quantify the uncertainty on transport properties computed using the Green-Kubo formulation based on recognizing that the integrated noise is a random walk, with a growing envelope of uncertainty. By characterizing the noise we can choose integration conditions to best trade off systematic truncation error with unbiased integration noise, to minimize uncertainty for a given allocation of computational resources.

Chemical concentrations and instantaneous loads, Green River to the Lower Duwamish Waterway near Seattle, Washington, 2013–15

USGS Publications Warehouse

Conn, Kathleen E.; Black, Robert W.; Vanderpool-Kimura, Ann M.; Foreman, James R.; Peterson, Norman T.; Senter, Craig A.; Sissel, Stephen K.

2015-12-23

Median chemical concentrations in suspended-sediment samples were greater than median chemical concentrations in fine bed sediment (less than 62.5 µm) samples, which were greater than median chemical concentrations in paired bulk bed sediment (less than 2 mm) samples. Suspended-sediment concentration, sediment particle-size distribution, and general water-quality parameters were measured concurrent with the chemistry sampling. From this discrete data, combined with the continuous streamflow record, estimates of instantaneous sediment and chemical loads from the Green River to the Lower Duwamish Waterway were calculated. For most compounds, loads were higher during storms than during baseline conditions because of high streamflow and high chemical concentrations. The highest loads occurred during dam releases (periods when stored runoff from a prior storm is released from the Howard Hanson Dam into the upper Green River) because of the high river streamflow and high suspended-sediment concentration, even when chemical concentrations were lower than concentrations measured during storm events. 

Method to manage integration error in the Green-Kubo method

NASA Astrophysics Data System (ADS)

Oliveira, Laura de Sousa; Greaney, P. Alex

2017-02-01

The Green-Kubo method is a commonly used approach for predicting transport properties in a system from equilibrium molecular dynamics simulations. The approach is founded on the fluctuation dissipation theorem and relates the property of interest to the lifetime of fluctuations in its thermodynamic driving potential. For heat transport, the lattice thermal conductivity is related to the integral of the autocorrelation of the instantaneous heat flux. A principal source of error in these calculations is that the autocorrelation function requires a long averaging time to reduce remnant noise. Integrating the noise in the tail of the autocorrelation function becomes conflated with physically important slow relaxation processes. In this paper we present a method to quantify the uncertainty on transport properties computed using the Green-Kubo formulation based on recognizing that the integrated noise is a random walk, with a growing envelope of uncertainty. By characterizing the noise we can choose integration conditions to best trade off systematic truncation error with unbiased integration noise, to minimize uncertainty for a given allocation of computational resources.

Root finding in the complex plane for seismo-acoustic propagation scenarios with Green's function solutions.

PubMed

McCollom, Brittany A; Collis, Jon M

2014-09-01

A normal mode solution to the ocean acoustic problem of the Pekeris waveguide with an elastic bottom using a Green's function formulation for a compressional wave point source is considered. Analytic solutions to these types of waveguide propagation problems are strongly dependent on the eigenvalues of the problem; these eigenvalues represent horizontal wavenumbers, corresponding to propagating modes of energy. The eigenvalues arise as singularities in the inverse Hankel transform integral and are specified by roots to a characteristic equation. These roots manifest themselves as poles in the inverse transform integral and can be both subtle and difficult to determine. Following methods previously developed [S. Ivansson et al., J. Sound Vib. 161 (1993)], a root finding routine has been implemented using the argument principle. Using the roots to the characteristic equation in the Green's function formulation, full-field solutions are calculated for scenarios where an acoustic source lies in either the water column or elastic half space. Solutions are benchmarked against laboratory data and existing numerical solutions.

Atomic mean-square displacement of a solid: A Green's-function approach

NASA Astrophysics Data System (ADS)

Shukla, R. C.; Hübschle, Hermann

1989-07-01

We have presented a Green's-function method of calculating the atomic mean-square displacement (MSD) of a solid. The method effectively sums a class of all anharmonic contributions to the MSD. From the point of view of perturbation theory (PT) our expression for MSD includes the lowest-order (λ2) PT contributions (cubic and quartic) with correct numerical coefficients. The numerical results obtained by this method in the high-temperature limit for a fcc nearest-neighbor Lennard-Jones-solid model are in excellent agreement with the Monte Carlo (MC) method for the same model over the entire temperature range of the solid. Highly accurate results for the order-λ2 PT contributions to MSD are obtained by eliminating the uncertainty in the convergence of the cubic contributions in the earlier work of Heiser, Shukla, and Cowly and they are now in much better agreement with the MC results but still inferior to the Green's-function method at the highest temperature.

Magneto-optical and catalytic properties of Fe3O4@HA@Ag magnetic nanocomposite

NASA Astrophysics Data System (ADS)

Amir, Md.; Güner, S.; Yıldız, A.; Baykal, A.

2017-01-01

Fe3O4@HA@Ag magnetic nanocomposites (MNCs) were successfully synthesized by the simple reflux method for the removal of azo dyes from the industrial aqueous media. Fe3O4@HA@AgMNCs exhibited high catalytic activity to reduce MB within 20 min from the waste water. The obtained materials were characterized by the means of different techniques. Powder X-ray diffraction (XRD) analysis confirmed the single-phase of Fe3O4 spinel structure. SEM and TEM analysis indicated that Fe3O4@HA@AgMNCs were nanoparticles like structure with small agglomeration. TG result showed that the products contained 9% of HA. The characteristic peaks of HA at 1601 cm-1 and 1703 cm-1 was observed by the means of FT-IR spectra of Fe3O4@HA@AgMNCs. The hysteresis (σ-H) curves revealed Fe3O4@HA@Ag MNCs exhibit a typical superparamagnetic characteristic with a saturation magnetization of 59.11 emu/g and measured magnetic moment is 2.45 μB. The average magnetic particle dimension (Dmag) is 13.25 nm. In accordance, the average crystallite and particle dimensions were obtained as 11.50 nm and 13.10 nm from XRD and TEM measurements, respectively. Magnetocrystalline anisotropy was offered as uniaxial and calculated effective anisotropy constant (Keff) is 2.96×105 Erg/g. The blocking temperature was estimated as 522 K. The size-dependent saturation magnetization suggests the existence of a magnetically dead layer as 0.793 nm for Fe3O4@HA@Ag MNCs. The UV-vis diffuse reflectance spectroscopy (DRS) and Kubelka-Munk theory were applied to determine the optical properties of powder samples. The direct optical energy band gap (Eg) values were estimated from Tauc plots between 1.62 eV and 2.12 eV.

Diffusion in Deterministic Interacting Lattice Systems

NASA Astrophysics Data System (ADS)

Medenjak, Marko; Klobas, Katja; Prosen, Tomaž

2017-09-01

We study reversible deterministic dynamics of classical charged particles on a lattice with hard-core interaction. It is rigorously shown that the system exhibits three types of transport phenomena, ranging from ballistic, through diffusive to insulating. By obtaining an exact expressions for the current time-autocorrelation function we are able to calculate the linear response transport coefficients, such as the diffusion constant and the Drude weight. Additionally, we calculate the long-time charge profile after an inhomogeneous quench and obtain diffusive profilewith the Green-Kubo diffusion constant. Exact analytical results are corroborated by Monte Carlo simulations.

First-principles Theory of Inelastic Transport and Local Heating in Atomic Gold Wires

NASA Astrophysics Data System (ADS)

Frederiksen, Thomas; Paulsson, Magnus; Brandbyge, Mads; Jauho, Antti-Pekka

2007-04-01

We present theoretical calculations of the inelastic transport properties in atomic gold wires. Our method is based on a combination of density functional theory and non-equilibrium Green's functions. The vibrational spectra for extensive series of wire geometries have been calculated using SIESTA, and the corresponding effects in the conductance are analyzed. In particular, we focus on the heating of the active vibrational modes. By a detailed comparison with experiments we are able to estimate an order of magnitude for the external damping of the active vibrations.

Stress Intensity Factors for Cracking Metal Structures under Rapid Thermal Loading. Volume 2. Theoretical Background

DTIC Science & Technology

1989-08-01

thermal pulse loadings. The work couples a Green’s function integration technique for transient thermal stresses with the well-known influence ... function approach for calculating stress intensity factors. A total of seven most commonly used crack models were investigated in this study. A computer

40 CFR 1033.325 - Maintenance of records; submittal of information.

Code of Federal Regulations, 2010 CFR

2010-07-01

... Production Line Testing and Audit Programs § 1033.325 Maintenance of records; submittal of information. (a... production line test or audit including: (i) The date, time, and location of each test or audit. (ii) The method by which the Green Engine Factor was calculated or the number of hours of service accumulated on...

Turbulent Chemically Reacting Flows According to a Kinetic Theory. Ph.D. Thesis; [statistical analysis/gas flow

NASA Technical Reports Server (NTRS)

Hong, Z. C.

1975-01-01

A review of various methods of calculating turbulent chemically reacting flow such as the Green Function, Navier-Stokes equation, and others is presented. Nonequilibrium degrees of freedom were employed to study the mixing behavior of a multiscale turbulence field. Classical and modern theories are discussed.

Perturbation corrections to Koopmans' theorem. V - A study with large basis sets

NASA Technical Reports Server (NTRS)

Chong, D. P.; Langhoff, S. R.

1982-01-01

The vertical ionization potentials of N2, F2 and H2O were calculated by perturbation corrections to Koopmans' theorem using six different basis sets. The largest set used includes several sets of polarization functions. Comparison is made with measured values and with results of computations using Green's functions.

Calcium amendment may increase hydraulic efficiency and forest evapotranspiration

Treesearch

Kevin T. Smith; Walter C. Shortle

2013-01-01

Green et al. (1) report 2 y of increased evapotranspiration (ET; calculated as the difference between total precipitation and total runoff) and decreased water yield following watershed-scale amendment of soil with wollastonite (CaSiO3) at the Hubbard Brook Experimental Forest in the White Mountains of New Hampshire. The...

Green synthesis, structure and fluorescence spectra of new azacyanine dyes

NASA Astrophysics Data System (ADS)

Enchev, Venelin; Gadjev, Nikolai; Angelov, Ivan; Minkovska, Stela; Kurutos, Atanas; Markova, Nadezhda; Deligeorgiev, Todor

2017-11-01

A series of symmetric and unsymmetric monomethine azacyanine dyes (monomethine azacyanine and merocyanine sulfobetaines) were synthesized with moderate to high yields via a novel method using microwave irradiation. The compounds are derived from a condensation reaction between 2-thiomethylbenzotiazolium salts and 2-imino-3-methylbenzothiazolines proceeded under microwave irradiation. The synthetic approach involves the use of green solvent and absence of basic reagent. TD-DFT calculations were performed to simulate absorption and fluorescent spectra of synthesized dyes. Absorption maxima, λmax, of the studied dyes were found in the range 364-394 nm. Molar absorbtivities were evaluated in between 40300 and 59200 mol-1 dm3 cm-1. Fluorescence maxima, λfl, were registered around 418-448 nm upon excitation at 350 nm. A slight displacements of theoretically estimated absorption maxima according to experimental ones is observed. The differences are most probably due to the fact that the DFT calculations were carried out without taking into account the solvent effect. In addition, the merocyanine sulfobetaines also fluorescence in blue optical range (420-480 nm) at excitation in red range (630-650 nm).

Structural characterization of mesoporous magnetite nanoparticles synthesized using the leaf extract of Calliandra haematocephala and their photocatalytic degradation of malachite green dye

NASA Astrophysics Data System (ADS)

Sirdeshpande, Karthikey Devadatta; Sridhar, Anushka; Cholkar, Kedar Mohan; Selvaraj, Raja

2018-03-01

A simple method for the synthesis of magnetite nanoparticles using the leaf extract of Calliandra haematocephala has been developed. UV-Vis spectrum showed a characteristic strong absorption band. SEM image revealed the bead-like spherical nanoparticles. EDS showed the prominent peaks for elemental iron and oxygen. PXRD patterns confirmed the crystalline nature and the average crystallite size of 7.45 nm. In addition, the lattice parameter value was calculated to be 8.413 Å, close to Fe3O4 nanoparticles. BET analysis disclosed the total specific surface area of the nanoparticles as 63.89 m2/g and the mesoporous structure of the nanoparticles with a pore radius of 34.18 Å. FTIR studies showed the specific bands at 599.82 and 472.53 cm-1, typical for Fe3O4 nanoparticles. The photocatalytic efficacy of the nanoparticles was demonstrated against the degradation of malachite green dye under sunlight irradiation and the photocatalytic degradation constant was calculated as 0.0621 min-1.

Calculation of the second term of the exact Green's function of the diffusion equation for diffusion-controlled chemical reactions

NASA Astrophysics Data System (ADS)

Plante, Ianik

2016-01-01

The exact Green's function of the diffusion equation (GFDE) is often considered to be the gold standard for the simulation of partially diffusion-controlled reactions. As the GFDE with angular dependency is quite complex, the radial GFDE is more often used. Indeed, the exact GFDE is expressed as a Legendre expansion, the coefficients of which are given in terms of an integral comprising Bessel functions. This integral does not seem to have been evaluated analytically in existing literature. While the integral can be evaluated numerically, the Bessel functions make the integral oscillate and convergence is difficult to obtain. Therefore it would be of great interest to evaluate the integral analytically. The first term was evaluated previously, and was found to be equal to the radial GFDE. In this work, the second term of this expansion was evaluated. As this work has shown that the first two terms of the Legendre polynomial expansion can be calculated analytically, it raises the question of the possibility that an analytical solution exists for the other terms.

Synthesis of colloidal Zn(Te,Se) alloy quantum dots

NASA Astrophysics Data System (ADS)

Asano, H.; Arai, K.; Kita, M.; Omata, T.

2017-10-01

Colloidal Zn(Te1-x Se x ) quantum dots (QDs), which are highly mismatched semiconductor alloys, were synthesized by the hot injection of an organometallic solution, and the composition and size dependence of their optical gap were studied together with the theoretical calculation using the finite-depth-well effective mass approximation. The optical gaps exhibited considerable negative deviation from the mole fraction weighted mean optical gaps of ZnTe and ZnSe, i.e. a large optical gap bowing was observed, similar to the bulk and thin-film alloys. The composition and size dependence of optical gaps agreed well with theoretically calculated ones employing a bowing parameter similar to that of the bulk alloys; therefore, the extent of the optical gap bowing in these alloy QDs is concluded to be the same as that in bulk and thin-film alloys. The optical gaps of Zn(Te1-x Se x ) QDs with diameters of 3.5-5 nm, where x ~ 0.35, were close to the energy corresponding to green light, indicating that those QDs are very promising as green QD-phosphors.

Efficient numerical technique for calculating the properties of interacting dimers in the Peierls-Hubbard model

NASA Astrophysics Data System (ADS)

Sous, John; Chakraborty, Monodeep; Krems, Roman; Berciu, Mona

2017-04-01

We develop a method to compute the Green's function for two particles in an infinite chain and coupled to phonons by interactions that modulate their hopping as described by the Peierls/Su-Schrieffer-Heeger (SSH) model. The method is based on a variational approximation to the Bogoliubov-Born-Green-Kirkwood-Yvon (BBGKY) hierarchy and is shown to agree with exact digaonalization calculations. We show that the properties of bipolarons arising in such models is qualitatively different from those of the well-studied Holstein bipolarons. In particular, we show that depending on the particle statistics, strongly bound bipolarons may or may not form. In the case of hard-core bosons, we demonstrate novel effects for dimers such as sharp transitions and self-trapping. In the case of soft-core particles/ spinfull fermions, we show that the mediated interactions lead to overscreeing of the bare Hubbard U repulsion resulting in the formation of strongly bound bipolarons. This work was supported by NSERC of Canada and the Stewart Blusson Quantum Matter Institute.

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

Liu, Xianglin; Wang, Yang; Eisenbach, Markus

One major purpose of studying the single-site scattering problem is to obtain the scattering matrices and differential equation solutions indispensable to multiple scattering theory (MST) calculations. On the other hand, the single-site scattering itself is also appealing because it reveals the physical environment experienced by electrons around the scattering center. In this study, we demonstrate a new formalism to calculate the relativistic full-potential single-site Green's function. We implement this method to calculate the single-site density of states and electron charge densities. Lastly, the code is rigorously tested and with the help of Krein's theorem, the relativistic effects and full potentialmore » effects in group V elements and noble metals are thoroughly investigated.« less

First principle study of transport properties of a graphene nano structure

NASA Astrophysics Data System (ADS)

Kumar, Naveen; Sharma, Munish; Sharma, Jyoti Dhar; Ahluwalia, P. K.

2013-06-01

The first principle quantum transport calculations have been performed for graphene using Tran SIESTA which calculates transport properties using nonequilibrium Green's function method in conjunction with density-functional theory. Transmission functions, electron density of states and current-voltage characteristic have been calculated for a graphene nano structure using graphene electrodes. Transmission function, density of states and projected density of states show a discrete band structure which varies with applied voltage. The value of current is very low for applied voltage between 0.0 V to 5.0 V and lies in the range of pico ampere. In the V-I characteristic current shows non-linear fluctuating pattern with increase in voltage.

Spin and charge transport across cobalt/graphene interfaces

NASA Astrophysics Data System (ADS)

Chshiev, Mairbek; Kalitsov, Alan; Mryasov, Oleg

We report ballistic calculations of in-plane and out-of-plane spin and charge transport through graphene attached to the hcp-Co electrodes. Our calculations are based on the Keldysh non-equilibrium Green Function formalism and the tight binding Hamiltonian model tailored to treat both lateral and vertical device configurations. We present results for (i) vertical device that consists of a one-side fluorinated C4F graphene sandwiched between two hcp Co electrodes and (ii) lateral device consisting of pristine graphene/C4F graphene bilayer with two top hcp-Co electrodes Our calculations predict large magnetoresistance with small resistance-area product and significant deviation from sinusoidal behavior of spin transfer torque for the vertical device configuration.

Evaluation of Physically and Empirically Based Models for the Estimation of Green Roof Evapotranspiration

NASA Astrophysics Data System (ADS)

Digiovanni, K. A.; Montalto, F. A.; Gaffin, S.; Rosenzweig, C.

2010-12-01

Green roofs and other urban green spaces can provide a variety of valuable benefits including reduction of the urban heat island effect, reduction of stormwater runoff, carbon sequestration, oxygen generation, air pollution mitigation etc. As many of these benefits are directly linked to the processes of evaporation and transpiration, accurate and representative estimation of urban evapotranspiration (ET) is a necessary tool for predicting and quantifying such benefits. However, many common ET estimation procedures were developed for agricultural applications, and thus carry inherent assumptions that may only be rarely applicable to urban green spaces. Various researchers have identified the estimation of expected urban ET rates as critical, yet poorly studied components of urban green space performance prediction and cite that further evaluation is needed to reconcile differences in predictions from varying ET modeling approaches. A small scale green roof lysimeter setup situated on the green roof of the Ethical Culture Fieldston School in the Bronx, NY has been the focus of ongoing monitoring initiated in June 2009. The experimental setup includes a 0.6 m by 1.2 m Lysimeter replicating the anatomy of the 500 m2 green roof of the building, with a roof membrane, drainage layer, 10 cm media depth, and planted with a variety of Sedum species. Soil moisture sensors and qualitative runoff measurements are also recorded in the Lysimeter, while a weather station situated on the rooftop records climatologic data. Direct quantification of actual evapotranspiration (AET) from the green roof weighing lysimeter was achieved through a mass balance approaches during periods absent of precipitation and drainage. A comparison of AET to estimates of potential evapotranspiration (PET) calculated from empirically and physically based ET models was performed in order to evaluate the applicability of conventional ET equations for the estimation of ET from green roofs. Results have shown that the empirically based Thornthwaite approach for estimating monthly average PET underestimates compared to AET by 54% over the course of a one year period, and performs similarly on a monthly basis. Estimates of PET from the Northeast Regional Climate Center MORECS model based on a variation of the Penman-Monteith model, overestimates compared to AET by only 2% over a one year period. However, monthly and daily estimates were not accurate, with the model overestimating during warm, summer months by as much as 206% and underestimating during winter months by as much as 58%, which would have significant implications if such estimates were utilized for the evaluation of potential benefits from green roofs. Thus, further evaluation and improvement of these and other methodologies are needed and will be pursued for estimation of ET from green roofs and other urban green spaces including NYC Greenstreets and urban parks.

In vitro interactions of malachite green and leucomalachite green with hepatic drug-metabolizing enzyme systems in the rainbow trout (Onchorhyncus mykiss).

PubMed

Nebbia, Carlo; Girolami, Flavia; Carletti, Monica; Gasco, Laura; Zoccarato, Ivo; Giuliano Albo, Alessandra

2017-10-05

Malachite green (MG) has been widely used in aquaculture to treat a number of microbial and parasitic diseases. It is currently banned in the EU because of the high cytotoxicity and carcinogenic activity, which is also shared by leucomalachite green (LMG), a reduced MG metabolite that can persist in fish tissues for months. There is scant information about the ability of either compound to interact with drug metabolizing enzymes in fish. Therefore we evaluated the in vitro effects of MG and LMG (25, 50 and 100μM) on some DMEs and glutathione (GSH) content in rainbow trout liver subfractions. LMG did not affect any of the examined parameters. In contrast, MG proved to deplete GSH and to depress to a various extent the activities of NAD(P)H cytochrome c reductase, 7-ethoxycoumarin O-deethylase, 1-naphthol uridindiphosphoglucuronyl-transferase and maximally those of 7-ethoxyresorufin O-deethylase (EROD) and glutathione S-transferase (GST) accepting 1-chloro2,4-dinitrobenzene (CDNB) as substrate. The inhibition mechanisms of EROD and GST were investigated by means of non-linear Michaelis-Menten kinetics and Lineweaver-Burk plots using 0.175-8μM MG. The calculated IC 50 for EROD was 7.1μM, and the inhibition appeared to be competitive (K i 2.78±0.24μM). In the case of GST, the calculated IC 50 was 0.53μM. The inhibition was best described as competitive toward GSH (Ki 0.39±0.02μM) and of mixed-type toward CDNB (Ki 0.64±0.06μM). Our findings indicate that, contrary to LMG, MG behaves as a relatively strong inhibitor of certain liver DMEs and can reversibly bind GSH. Copyright © 2017 Elsevier B.V. All rights reserved.

Thermal transport across metal silicide-silicon interfaces: First-principles calculations and Green's function transport simulations

NASA Astrophysics Data System (ADS)

Sadasivam, Sridhar; Ye, Ning; Feser, Joseph P.; Charles, James; Miao, Kai; Kubis, Tillmann; Fisher, Timothy S.

2017-02-01

Heat transfer across metal-semiconductor interfaces involves multiple fundamental transport mechanisms such as elastic and inelastic phonon scattering, and electron-phonon coupling within the metal and across the interface. The relative contributions of these different transport mechanisms to the interface conductance remains unclear in the current literature. In this work, we use a combination of first-principles calculations under the density functional theory framework and heat transport simulations using the atomistic Green's function (AGF) method to quantitatively predict the contribution of the different scattering mechanisms to the thermal interface conductance of epitaxial CoSi2-Si interfaces. An important development in the present work is the direct computation of interfacial bonding from density functional perturbation theory (DFPT) and hence the avoidance of commonly used "mixing rules" to obtain the cross-interface force constants from bulk material force constants. Another important algorithmic development is the integration of the recursive Green's function (RGF) method with Büttiker probe scattering that enables computationally efficient simulations of inelastic phonon scattering and its contribution to the thermal interface conductance. First-principles calculations of electron-phonon coupling reveal that cross-interface energy transfer between metal electrons and atomic vibrations in the semiconductor is mediated by delocalized acoustic phonon modes that extend on both sides of the interface, and phonon modes that are localized inside the semiconductor region of the interface exhibit negligible coupling with electrons in the metal. We also provide a direct comparison between simulation predictions and experimental measurements of thermal interface conductance of epitaxial CoSi2-Si interfaces using the time-domain thermoreflectance technique. Importantly, the experimental results, performed across a wide temperature range, only agree well with predictions that include all transport processes: elastic and inelastic phonon scattering, electron-phonon coupling in the metal, and electron-phonon coupling across the interface.

Optimization and evaluation of metal injection molding by using X-ray tomography

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

Yang, Shidi; Zhang, Ruijie; Qu, Xuanhui, E-mail: quxh@ustb.edu.cn

2015-06-15

6061 aluminum alloy and 316L stainless steel green bodies were obtained by using different injection parameters (injection pressure, speed and temperature). After injection process, the green bodies were scanned by X-ray tomography. The projection and reconstruction images show the different kinds of defects obtained by the improper injection parameters. Then, 3D rendering of the Al alloy green bodies was used to demonstrate the spatial morphology characteristics of the serious defects. Based on the scanned and calculated results, it is convenient to obtain the proper injection parameters for the Al alloy. Then, reasons of the defect formation were discussed. During moldmore » filling, the serious defects mainly formed in the case of low injection temperature and high injection speed. According to the gray value distribution of projection image, a threshold gray value was obtained to evaluate whether the quality of green body can meet the desired standard. The proper injection parameters of 316L stainless steel can be obtained efficiently by using the method of analyzing the Al alloy injection. - Highlights: • Different types of defects in green bodies were scanned by using X-ray tomography. • Reasons of the defect formation were discussed. • Optimization of the injection parameters can be simplified greatly by the way of X-ray tomography. • Evaluation standard of the injection process can be obtained by using the gray value distribution of projection image.« less

Passive detection and localization of fatigue cracking in aluminum plates using Green's function reconstruction from ambient noise.

PubMed

Yang, Yang; Xiao, Li; Qu, Wenzhong; Lu, Ye

2017-11-01

Recent theoretical and experimental studies have demonstrated that a local Green's function can be retrieved from the cross-correlation of ambient noise field. This technique can be used to detect fatigue cracking in metallic structures, owing to the fact that the presence of crack can lead to a change in Green's function. This paper presents a method of structural fatigue cracking characterization method by measuring Green's function reconstruction from noise excitation and verifies the feasibility of crack detection in poor noise source distribution. Fatigue cracks usually generate nonlinear effects, in which different wave amplitudes and frequency compositions can cause different nonlinear responses. This study also undertakes analysis of the capacity of the proposed approach to identify fatigue cracking under different noise amplitudes and frequency ranges. Experimental investigations of an aluminum plate are conducted to assess the cross-correlations of received noise between sensor pairs and finally to detect the introduced fatigue crack. A damage index is proposed according to the variation between cross-correlations obtained from the pristine crack closed state and the crack opening-closure state when sufficient noise amplitude is used to generate nonlinearity. A probability distribution map of damage is calculated based on damage indices. The fatigue crack introduced in the aluminum plate is successfully identified and oriented, verifying that a fatigue crack can be detected by reconstructing Green's functions from an imperfect diffuse field in which ambient noise sources exist locally. Copyright © 2017 Elsevier B.V. All rights reserved.

The Prediction of Jet Noise Ground Effects Using an Acoustic Analogy and a Tailored Green's Function

NASA Technical Reports Server (NTRS)

Miller, Steven A. E.

2013-01-01

An assessment of an acoustic analogy for the mixing noise component of jet noise in the presence of an infinite surface is presented. The reflection of jet noise by the ground changes the distribution of acoustic energy and is characterized by constructive and destructive interference patterns. The equivalent sources are modeled based on the two-point cross- correlation of the turbulent velocity fluctuations and a steady Reynolds-Averaged Navier-Stokes (RANS) solution. Propagation effects, due to reflection by the surface and refaction by the jet shear layer, are taken into account by calculating the vector Green's function of the linearized Euler equations (LEE). The vector Green's function of the LEE is written in relation to Lilley's equation; that is, approximated with matched asymptotic solutions and the Green's function of the convective Helmholtz equation. The Green's function of the convective Helmholtz equation for an infinite flat plane with impedance is the Weyl-van der Pol equation. Predictions are compared with an unheated Mach 0.95 jet produced by a nozzle with an exit diameter of 0.3302 meters. Microphones are placed at various heights and distances from the nozzle exit in the peak jet noise direction above an acoustically hard and an asphalt surface. The predictions are shown to accurately capture jet noise ground effects that are characterized by constructive and destructive interference patterns in the mid- and far-field and capture overall trends in the near-field.

Effects of Green Tea Gargling on the Prevention of Influenza Infection: An Analysis Using Bayesian Approaches.

PubMed

Ide, Kazuki; Kawasaki, Yohei; Akutagawa, Maiko; Yamada, Hiroshi

2017-02-01

The aim of this study is to analyze the data obtained from a randomized trial on the prevention of influenza by gargling with green tea, which gave nonsignificant results based on frequentist approaches, by using Bayesian approaches. The posterior proportion, with 95% credible interval (CrI), of influenza in each group was calculated. The Bayesian index θ is the probability that a hypothesis is true. In this case, θ is the probability that the hypothesis that green tea gargling reduced influenza compared with water gargling is true. Univariate and multivariate logistic regression analyses were also performed by using the Markov chain Monte Carlo method. The full analysis set included 747 participants. During the study period, influenza occurred in 44 participants (5.9%). The difference between the two independent binominal proportions was -0.019 (95% CrI, -0.054 to 0.015; θ = 0.87). The partial regression coefficients in the univariate analysis were -0.35 (95% CrI, -1.00 to 0.24) with use of a uniform prior and -0.34 (95% CrI, -0.96 to 0.27) with use of a Jeffreys prior. In the multivariate analysis, the values were -0.37 (95% CrI, -0.96 to 0.30) and -0.36 (95% CrI, -1.03 to 0.21), respectively. The difference between the two independent binominal proportions was less than 0, and θ was greater than 0.85. Therefore, green tea gargling may slightly reduce influenza compared with water gargling. This analysis suggests that green tea gargling can be an additional preventive measure for use with other pharmaceutical and nonpharmaceutical measures and indicates the need for additional studies to confirm the effect of green tea gargling.

New alternatives for laser vaporization of the prostate: experimental evaluation of a 980-, 1,318- and 1,470-nm diode laser device.

PubMed

Wezel, Felix; Wendt-Nordahl, Gunnar; Huck, Nina; Bach, Thorsten; Weiss, Christel; Michel, Maurice Stephan; Häcker, Axel

2010-04-01

Several diode laser systems were introduced in recent years for the minimal-invasive surgical therapy of benign prostate enlargement. We investigated the ablation capacities, hemostatic properties and extend of tissue necrosis of different diode lasers at wavelengths of 980, 1,318 and 1,470 nm and compared the results to the 120 W GreenLight HPS laser. The laser devices were evaluated in an ex vivo model using isolated porcine kidneys. The weight difference of the porcine kidneys after 10 min of laser vaporization defined the amount of ablated tissue. Blood loss was measured in blood-perfused kidneys following laser vaporization. Histological examination was performed to assess the tissue effects. The side-firing 980 and 1,470 nm diode lasers displayed similar ablative capacities compared to the GreenLight HPS laser (n.s.). The 1,318-nm laser, equipped with a bare-ended fiber, reached a higher ablation rate compared to the other laser devices (each P < 0.05). A calculated 'output power efficiency per watt' revealed that the 1,318-nm laser with a bare-ended fiber reached the highest rate compared to the side-firing devices (each P < 0.0001). All three diode lasers showed superior hemostatic properties compared to the GreenLight HPS laser (each P < 0.01). The extend of morphological tissue necrosis was 4.62 mm (1,318 nm), 1.30 mm (1,470 nm), 4.18 mm (980 nm) and 0.84 mm (GreenLight HPS laser), respectively. The diode lasers offered similar ablative capacities and improved hemostatic properties compared to the 120 W GreenLight HPS laser in this experimental ex vivo setting. The higher tissue penetration of the diode lasers compared to the GreenLight HPS laser may explain improved hemostasis.

Understanding Long-term Greenness, Water Use, and Redevelopment in Denver, Colorado

NASA Astrophysics Data System (ADS)

Neel, A.; Hogue, T. S.; Read, L.

2016-12-01

In 2015 the U.S. Census Bureau's found Denver to have the fastest growth rate among large cities in America. With the population of Metro Denver expected to increase from 2.9 to 3.3 million it is critical to consider the impacts of expected redevelopment and increased housing density on the City's ecosystem and future water supply. While prior studies have shown outdoor water use to account for as much as 40-60% of single-family residential water use in western cities, currently no published research examines patterns in urban vegetation, greenness, temperature and water use for cities in the Rocky Mountain West. Normalized Differential Vegetation Index (NDVI) calculated from Landsat imagery was examined to assess how redevelopment in Denver's urban center impacts regional greenness patterns, land surface temperatures and water budgets. Over the last twenty-seven years Denver has shown an overall 4.4% decrease in greenness, with a more rapid decline starting in 2006. While NDVI and cumulative precipitation have a significant relationship over the study period, decreasing NDVI trends across all seasons suggests other factors, such as redevelopment, may be influencing the city's greenness. Comparing water use, NDVI, and precipitation reveals that not only do climate and redevelopment affect NDVI patterns, but mandated water restrictions may also be having a significant impact on NDVI values. NDVI and precipitation patterns are being assessed against regional surface temperatures over time. Surface temperatures, taken from Landsat data, reveal that Urban Heat Island effect may become more pronounced with decreasing NDVI values. As Denver continues to grow, managers can utilize results to better inform decisions about landscape patterns relative to outdoor water use, the effectiveness of restrictions on consumption, and future planning for green infrastructure.

Diurnal Changes in Volume and Specific Tissue Weight of Crassulacean Acid Metabolism Plants 1

PubMed Central

Chen, Sheng-Shu; Black, Clanton C.

1983-01-01

The diurnal variations in volume and in specific weight were determined for green stems and leaves of Crassulacen acid metabolism (CAM) plants. Volume changes were measured by a water displacement method. Diurnal variations occurred in the volume of green CAM tissues. Their volume increased early in the light period reaching a maximum about mid-day, then the volume decreased to a minimum near midnight. The maximum volume increase each day was about 2.7% of the total volume. Control leaves of C3 and C4 plants exhibited reverse diurnal volume changes of 0.2 to 0.4%. The hypothesis is presented and supported that green CAM tissues should exhibit a diurnal increase in volume due to the increase of internal gas pressure from CO2 and O2 when their stomata are closed. Conversely, the volume should decrease when the gas pressure is decreased. The second hypothesis presented and supported was that the specific weight (milligrams of dry weight per square centimeter of green surface area) of green CAM tissues should increase at night due to the net fixation of CO2. Green CAM tissues increased their specific weight at night in contrast to control C3 and C4 leaves which decreased their specific weight at night. With Kalanchoë daigremontiana leaves, the calculated increase in specific leaf weight at night based on estimates of carbohydrate available for net CO2 fixation was near 6% and the measured increase in specific leaf weight was 6%. Diurnal measurements of CAM tissue water content were neither coincident nor reciprocal with their diurnal patterns of either volume or specific weight changes. PMID:16662833

Microwave emulations and tight-binding calculations of transport in polyacetylene

NASA Astrophysics Data System (ADS)

Stegmann, Thomas; Franco-Villafañe, John A.; Ortiz, Yenni P.; Kuhl, Ulrich; Mortessagne, Fabrice; Seligman, Thomas H.

2017-01-01

A novel approach to investigate the electron transport of cis- and trans-polyacetylene chains in the single-electron approximation is presented by using microwave emulation measurements and tight-binding calculations. In the emulation we take into account the different electronic couplings due to the double bonds leading to coupled dimer chains. The relative coupling constants are adjusted by DFT calculations. For sufficiently long chains a transport band gap is observed if the double bonds are present, whereas for identical couplings no band gap opens. The band gap can be observed also in relatively short chains, if additional edge atoms are absent, which cause strong resonance peaks within the band gap. The experimental results are in agreement with our tight-binding calculations using the nonequilibrium Green's function method. The tight-binding calculations show that it is crucial to include third nearest neighbor couplings to obtain the gap in the cis-polyacetylene.

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

Wahanani, Nursinta Adi, E-mail: sintaadi@batan.go.id; Natsir, Khairina, E-mail: sintaadi@batan.go.id; Hartini, Entin, E-mail: sintaadi@batan.go.id

Data processing software packages such as VSOP and MCNPX are softwares that has been scientifically proven and complete. The result of VSOP and MCNPX are huge and complex text files. In the analyze process, user need additional processing like Microsoft Excel to show informative result. This research develop an user interface software for output of VSOP and MCNPX. VSOP program output is used to support neutronic analysis and MCNPX program output is used to support burn-up analysis. Software development using iterative development methods which allow for revision and addition of features according to user needs. Processing time with this softwaremore » 500 times faster than with conventional methods using Microsoft Excel. PYTHON is used as a programming language, because Python is available for all major operating systems: Windows, Linux/Unix, OS/2, Mac, Amiga, among others. Values that support neutronic analysis are k-eff, burn-up and mass Pu{sup 239} and Pu{sup 241}. Burn-up analysis used the mass inventory values of actinide (Thorium, Plutonium, Neptunium and Uranium). Values are visualized in graphical shape to support analysis.« less

New evaluation parameter for wearable thermoelectric generators

NASA Astrophysics Data System (ADS)

Wijethunge, Dimuthu; Kim, Woochul

2018-04-01

Wearable devices constitute a key application area for thermoelectric devices. However, owing to new constraints in wearable applications, a few conventional device optimization techniques are not appropriate and material evaluation parameters, such as figure of merit (zT) and power factor (PF), tend to be inadequate. We illustrated the incompleteness of zT and PF by performing simulations and considering different thermoelectric materials. The results indicate a weak correlation between device performance and zT and PF. In this study, we propose a new evaluation parameter, zTwearable, which is better suited for wearable applications compared to conventional zT. Owing to size restrictions, gap filler based device optimization is extremely critical in wearable devices. With respect to the occasions in which gap fillers are used, expressions for power, effective thermal conductivity (keff), and optimum load electrical ratio (mopt) are derived. According to the new parameters, the thermal conductivity of the material has become much more critical now. The proposed new evaluation parameter, namely, zTwearable, is extremely useful in the selection of an appropriate thermoelectric material among various candidates prior to the commencement of the actual design process.

Role of Eu{sup 2+} on the blue‐green photoluminescence of In{sub 2}O{sub 3}:Eu{sup 2+} nanocrystals

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

Devi, Konsam Reenabati, E-mail: reena.kay14@manipuruniv.ac.in; Meetei, Sanoujam Dhiren, E-mail: sdmdhiren@gmail.com; Department of Physics, North Eastern Regional Institute of Science & Technology, Nirjuli, Itanagar 791109, Arunachal Pradesh

Blue‐green light emitting undoped and europium doped indium oxide nanocrystal were synthesized by simple precipitation method. X-ray diffraction (XRD) pattern confirmed the cubic phase of undoped and europium doped samples. Further, transmission electron microscopy (TEM), scanning electron microscopy (SEM) , energy dispersive analysis of X-rays (EDAX), Fourier transform infra-red (FT-IR), photoluminescence (PL), electron paramagnetic resonance (EPR) studies were performed to characterise the samples. PL analysis of the samples is the core of the present research. It includes excitation, emission and CIE (Commission Internationale de l’e´ clairage) studies of the samples. On doping europium to In{sub 2}O{sub 3} lattice, ln{sup 3+}more » site is substituted by Eu{sup 2+} thereby increasing the concentration of singly ionized oxygen vacancy and hence blue–green emission from the host is found to increase. Further, this increase in blue–green emission after doping may also be attributed to 4f → 5d transitions of Eu{sup 2+}. However, the blue–green PL emission is found to decrease after an optimum dopant concentration (Eu{sup 2+} = 4%) due to luminescence and size quenching. CIE co-ordinates of the samples are calculated to know colour of light emitted from the samples. It suggests that this blue–green light emitting In{sub 2}O{sub 3}: Eu{sup 2+} nanocrystals may find application in lighting such as in generation of white light. - Highlight: • XRD and TEM study confirms the synthesis of cubic doped and europium doped nanocrystals. • EPR study reveals the doped europium is in + 2 oxidation state. • Enhance PL emission intensity of host material due to increase in singly ionized oxygen vacancy and 4f–5d transitions of Eu{sup 2+} • CIE co-ordinates suggest the blue–green colour of the samples.« less

Computing the full spectrum of large sparse palindromic quadratic eigenvalue problems arising from surface Green's function calculations

NASA Astrophysics Data System (ADS)

Huang, Tsung-Ming; Lin, Wen-Wei; Tian, Heng; Chen, Guan-Hua

2018-03-01

Full spectrum of a large sparse ⊤-palindromic quadratic eigenvalue problem (⊤-PQEP) is considered arguably for the first time in this article. Such a problem is posed by calculation of surface Green's functions (SGFs) of mesoscopic transistors with a tremendous non-periodic cross-section. For this problem, general purpose eigensolvers are not efficient, nor is advisable to resort to the decimation method etc. to obtain the Wiener-Hopf factorization. After reviewing some rigorous understanding of SGF calculation from the perspective of ⊤-PQEP and nonlinear matrix equation, we present our new approach to this problem. In a nutshell, the unit disk where the spectrum of interest lies is broken down adaptively into pieces small enough that they each can be locally tackled by the generalized ⊤-skew-Hamiltonian implicitly restarted shift-and-invert Arnoldi (G⊤SHIRA) algorithm with suitable shifts and other parameters, and the eigenvalues missed by this divide-and-conquer strategy can be recovered thanks to the accurate estimation provided by our newly developed scheme. Notably the novel non-equivalence deflation is proposed to avoid as much as possible duplication of nearby known eigenvalues when a new shift of G⊤SHIRA is determined. We demonstrate our new approach by calculating the SGF of a realistic nanowire whose unit cell is described by a matrix of size 4000 × 4000 at the density functional tight binding level, corresponding to a 8 × 8nm2 cross-section. We believe that quantum transport simulation of realistic nano-devices in the mesoscopic regime will greatly benefit from this work.

Parameter Optimization Of Natural Hydroxyapatite/SS316l Via Metal Injection Molding (MIM)

NASA Astrophysics Data System (ADS)

Mustafa, N.; Ibrahim1, M. H. I.; Amin, A. M.; Asmawi, R.

2017-01-01

Metal injection molding (MIM) are well known as a worldwide application of powder injection molding (PIM) where as applied the shaping concept and the beneficial of plastic injection molding but develops the applications to various high performance metals and alloys, plus metal matrix composites and ceramics. This study investigates the strength of green part by using stainless steel 316L/ Natural hydroxyapatite composite as a feedstock. Stainless steel 316L (SS316L) was mixed with Natural hydroxyapatite (NHAP) by adding 40 wt. % Low Density Polyethylene and 60 %wt. Palm Stearin as a binder system at 63 wt. % powder loading consist of 90 % wt. of SS316 L and 10 wt. % NHAP prepared thru critical powder volume percentage (CPVC). Taguchi method was functional as a tool in determining the optimum green strength for Metal Injection Molding (MIM) parameters. The green strength was optimized with 4 significant injection parameter such as Injection temperature (A), Mold temperature (B), Pressure (C) and Speed (D) were selected throughout screening process. An orthogonal array of L9 (3)4 was conducted. The optimum injection parameters for highest green strength were established at A1, B2, C0 and D1 and where as calculated based on Signal to Noise Ratio.

How green are the streets? An analysis for central areas of Chinese cities using Tencent Street View

PubMed Central

Liu, Liu

2017-01-01

Extensive evidence has revealed that street greenery, as a quality-of-life component, is important for oxygen production, pollutant absorption, and urban heat island effect mitigation. Determining how green our streets are has always been difficult given the time and money consumed using conventional methods. This study proposes an automatic method using an emerging online street-view service to address this issue. This method was used to analyze street greenery in the central areas (28.3 km2 each) of 245 major Chinese cities; this differs from previous studies, which have investigated small areas in a given city. Such a city-system-level study enabled us to detect potential universal laws governing street greenery as well as the impact factors. We collected over one million Tencent Street View pictures and calculated the green view index for each picture. We found the following rules: (1) longer streets in more economically developed and highly administrated cities tended to be greener; (2) cities in western China tend to have greener streets; and (3) the aggregated green view indices at the municipal level match with the approved National Garden Cities of China. These findings can prove useful for drafting more appropriate policies regarding planning and engineering practices for street greenery. PMID:28196071

Organic additives stabilize RNA aptamer binding of malachite green.

PubMed

Zhou, Yubin; Chi, Hong; Wu, Yuanyuan; Marks, Robert S; Steele, Terry W J

2016-11-01

Aptamer-ligand binding has been utilized for biological applications due to its specific binding and synthetic nature. However, the applications will be limited if the binding or the ligand is unstable. Malachite green aptamer (MGA) and its labile ligand malachite green (MG) were found to have increasing apparent dissociation constants (Kd) as determined through the first order rate loss of emission intensity of the MGA-MG fluorescent complex. The fluorescent intensity loss was hypothesized to be from the hydrolysis of MG into malachite green carbinol base (MGOH). Random screening organic additives were found to reduce or retain the fluorescence emission and the calculated apparent Kd of MGA-MG binding. The protective effect became more apparent as the percentage of organic additives increased up to 10% v/v. The mechanism behind the organic additive protective effects was primarily from a ~5X increase in first order rate kinetics of MGOH→MG (kMGOH→MG), which significantly changed the equilibrium constant (Keq), favoring the generation of MG, versus MGOH without organic additives. A simple way has been developed to stabilize the apparent Kd of MGA-MG binding over 24h, which may be beneficial in stabilizing other triphenylmethane or carbocation ligand-aptamer interactions that are susceptible to SN1 hydrolysis. Copyright © 2016 Elsevier B.V. All rights reserved.

How green are the streets? An analysis for central areas of Chinese cities using Tencent Street View.

PubMed

Long, Ying; Liu, Liu

2017-01-01

Extensive evidence has revealed that street greenery, as a quality-of-life component, is important for oxygen production, pollutant absorption, and urban heat island effect mitigation. Determining how green our streets are has always been difficult given the time and money consumed using conventional methods. This study proposes an automatic method using an emerging online street-view service to address this issue. This method was used to analyze street greenery in the central areas (28.3 km2 each) of 245 major Chinese cities; this differs from previous studies, which have investigated small areas in a given city. Such a city-system-level study enabled us to detect potential universal laws governing street greenery as well as the impact factors. We collected over one million Tencent Street View pictures and calculated the green view index for each picture. We found the following rules: (1) longer streets in more economically developed and highly administrated cities tended to be greener; (2) cities in western China tend to have greener streets; and (3) the aggregated green view indices at the municipal level match with the approved National Garden Cities of China. These findings can prove useful for drafting more appropriate policies regarding planning and engineering practices for street greenery.

Photo-kinetics of photoinduced transformation reaction of methylene green with titanium trichloride in different solvents

NASA Astrophysics Data System (ADS)

Nadeem, Syed Muhammad Saqib; Saeed, Rehana

2017-08-01

The photo-kinetics of photoinduced transformation reaction of methylene green and titanium trichloride was investigated in water and different aqueous-alcoholic solvents. The reaction is pseudo-first order, dependent only on the concentration of titanium trichloride at fixed concentration of methylene green. The effect of water and aqueous-alcoholic solvents was studied in the acidic range from 4 to 7. It was observed that the quantum yield (φ) of reaction increased with increase in polarity of the solvent. The quantum yield (φ) was high in acidic condition and decreased with further increase in acidity. The quantum yield (φ) increased sharply with increase in concentration of titanium trichloride while it almost remained unaffected by change in concentration of methylene green. The addition of ions increased the quantum yield (φ) of reaction. The increase in temperature decreased the rate and quantum yield (φ) of reaction. An electron transfer mechanism for the reaction has been proposed in accordance with the kinetics of reaction. The absence of any reaction intermediate was confirmed by spectroscopic investigations. Activation energy ( E a) was calculated by Arrhenius relation. Thermodynamic parameters such as activation energy ( E a), enthalpy change (Δ H), free energy change (Δ G) and entropy change (Δ S) were also evaluated.

Low-rank canonical-tensor decomposition of potential energy surfaces: application to grid-based diagrammatic vibrational Green's function theory

NASA Astrophysics Data System (ADS)

Rai, Prashant; Sargsyan, Khachik; Najm, Habib; Hermes, Matthew R.; Hirata, So

2017-09-01

A new method is proposed for a fast evaluation of high-dimensional integrals of potential energy surfaces (PES) that arise in many areas of quantum dynamics. It decomposes a PES into a canonical low-rank tensor format, reducing its integral into a relatively short sum of products of low-dimensional integrals. The decomposition is achieved by the alternating least squares (ALS) algorithm, requiring only a small number of single-point energy evaluations. Therefore, it eradicates a force-constant evaluation as the hotspot of many quantum dynamics simulations and also possibly lifts the curse of dimensionality. This general method is applied to the anharmonic vibrational zero-point and transition energy calculations of molecules using the second-order diagrammatic vibrational many-body Green's function (XVH2) theory with a harmonic-approximation reference. In this application, high dimensional PES and Green's functions are both subjected to a low-rank decomposition. Evaluating the molecular integrals over a low-rank PES and Green's functions as sums of low-dimensional integrals using the Gauss-Hermite quadrature, this canonical-tensor-decomposition-based XVH2 (CT-XVH2) achieves an accuracy of 0.1 cm-1 or higher and nearly an order of magnitude speedup as compared with the original algorithm using force constants for water and formaldehyde.

On the polarization of the green emission of polyfluorenes

NASA Astrophysics Data System (ADS)

Yang, X. H.; Neher, D.; Spitz, C.; Zojer, E.; Brédas, J. L.; Güntner, R.; Scherf, U.

2003-10-01

An experimental and theoretical study of the anisotropic optical properties of polyfluorenes (PFs) bearing ketonic defects is presented. Polarized emission experiments performed on photooxidized aligned PF layers indicate that the transition dipole of the "green" CT π-π* transition of the keto-defect is oriented parallel to the chain direction. It is further observed that the polarization ratio of the green emission is slightly smaller than that of the blue emission component originating from undisturbed chains. Quantum mechanical calculations have been performed to support these observations. It is shown that the transition dipole moment of the CT π-π* transition of the defect is slightly misaligned with respect to the π-π* transition of the undisturbed PF chain, and that the angle between both depends on the chain conformation. For the most probably 5/2 helical conformation, this angle is, however, smaller than 5°. Further, polarized PL spectroscopy with polarized excitation has been performed to determine the extent of energy migration prior to emission from the keto-defect. For excitation at 380 nm, the polarization ratio of the green emission is essentially independent of the excitation polarization, indicating almost complete depolarization of the excitation before it is captured at a defect site. In contrast to this, energy migration after direct excitation of the keto-defect is inefficient or even absent.

Ionization energies and electron affinities from a random-phase-approximation many-body Green's-function method including exchange interactions

NASA Astrophysics Data System (ADS)

Heßelmann, Andreas

2017-06-01

A many-body Green's-function method employing an infinite order summation of ring and exchange-ring contributions to the self-energy is presented. The individual correlation and relaxation contributions to the quasiparticle energies are calculated using an iterative scheme which utilizes density fitting of the particle-hole, particle-particle and hole-hole densities. It is shown that the ionization energies and electron affinities of this approach agree better with highly accurate coupled-cluster singles and doubles with perturbative triples energy difference results than those obtained with second-order Green's-function approaches. An analysis of the correlation and relaxation terms of the self-energy for the direct- and exchange-random-phase-approximation (RPA) Green's-function methods shows that the inclusion of exchange interactions leads to a reduction of the two contributions in magnitude. These differences, however, strongly cancel each other when summing the individual terms to the quasiparticle energies. Due to this, the direct- and exchange-RPA methods perform similarly for the description of ionization energies (IPs) and electron affinities (EAs). The coupled-cluster reference IPs and EAs, if corrected to the adiabatic energy differences between the neutral and charged molecules, were shown to be in very good agreement with experimental measurements.

Accurate green water loads calculation using naval hydro pack

NASA Astrophysics Data System (ADS)

Jasak, H.; Gatin, I.; Vukčević, V.

2017-12-01

An extensive verification and validation of Finite Volume based CFD software Naval Hydro based on foam-extend is presented in this paper for green water loads. Two-phase numerical model with advanced methods for treating the free surface is employed. Pressure loads on horizontal deck of Floating Production Storage and Offloading vessel (FPSO) model are compared to experimental results from [1] for three incident regular waves. Pressure peaks and integrals of pressure in time are measured on ten different locations on deck for each case. Pressure peaks and integrals are evaluated as average values among the measured incident wave periods, where periodic uncertainty is assessed for both numerical and experimental results. Spatial and temporal discretization refinement study is performed providing numerical discretization uncertainties.

Low rank approximation method for efficient Green's function calculation of dissipative quantum transport

NASA Astrophysics Data System (ADS)

Zeng, Lang; He, Yu; Povolotskyi, Michael; Liu, XiaoYan; Klimeck, Gerhard; Kubis, Tillmann

2013-06-01

In this work, the low rank approximation concept is extended to the non-equilibrium Green's function (NEGF) method to achieve a very efficient approximated algorithm for coherent and incoherent electron transport. This new method is applied to inelastic transport in various semiconductor nanodevices. Detailed benchmarks with exact NEGF solutions show (1) a very good agreement between approximated and exact NEGF results, (2) a significant reduction of the required memory, and (3) a large reduction of the computational time (a factor of speed up as high as 150 times is observed). A non-recursive solution of the inelastic NEGF transport equations of a 1000 nm long resistor on standard hardware illustrates nicely the capability of this new method.

A pathway of nanocrystallite fabrication by photo-assisted growth in pure water

NASA Astrophysics Data System (ADS)

Jeem, Melbert; Bin Julaihi, Muhammad Rafiq Mirza; Ishioka, Junya; Yatsu, Shigeo; Okamoto, Kazumasa; Shibayama, Tamaki; Iwasaki, Tomio; Kato, Takahiko; Watanabe, Seiichi

2015-06-01

We report a new production pathway for a variety of metal oxide nanocrystallites via submerged illumination in water: submerged photosynthesis of crystallites (SPSC). Similar to the growth of green plants by photosynthesis, nanocrystallites shaped as nanoflowers and nanorods are hereby shown to grow at the protruded surfaces via illumination in pure, neutral water. The process is photocatalytic, accompanied with hydroxyl radical generation via water splitting; hydrogen gas is generated in some cases, which indicates potential for application in green technologies. Together with the aid of ab initio calculation, it turns out that the nanobumped surface, as well as aqueous ambience and illumination are essential for the SPSC method. Therefore, SPSC is a surfactant-free, low-temperature technique for metal oxide nanocrystallites fabrication.

Structure of fluorescent metal clusters on a DNA template.

NASA Astrophysics Data System (ADS)

Vdovichev, A. A.; Sych, T. S.; Reveguk, Z. V.; Smirnova, A. A.; Maksimov, D. A.; Ramazanov, R. R.; Kononov, A. I.

2016-08-01

Luminescent metal clusters are a subject of growing interest in recent years due to their bright emission from visible to near infrared range. Detailed structure of the fluorescent complexes of Ag and other metal clusters with ligands still remains a challenging task. In this joint experimental and theoretical study we synthesized Ag-DNA complexes on a DNA oligonucleotide emitting in violet- green spectral range. The structure of DNA template was determined by means of various spectral measurements (CD, MS, XPS). Comparison of the experimental fluorescent excitation spectra and calculated absorption spectra for different QM/MM optimized structures allowed us to determine the detailed structure of the green cluster containing three silver atoms in the stem of the DNA hairpin structure stabilized by cytosine-Ag+-cytosine bonds.

Numerical integration for ab initio many-electron self energy calculations within the GW approximation

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

Liu, Fang, E-mail: fliu@lsec.cc.ac.cn; Lin, Lin, E-mail: linlin@math.berkeley.edu; Computational Research Division, Lawrence Berkeley National Laboratory, Berkeley, CA 94720

We present a numerical integration scheme for evaluating the convolution of a Green's function with a screened Coulomb potential on the real axis in the GW approximation of the self energy. Our scheme takes the zero broadening limit in Green's function first, replaces the numerator of the integrand with a piecewise polynomial approximation, and performs principal value integration on subintervals analytically. We give the error bound of our numerical integration scheme and show by numerical examples that it is more reliable and accurate than the standard quadrature rules such as the composite trapezoidal rule. We also discuss the benefit ofmore » using different self energy expressions to perform the numerical convolution at different frequencies.« less

Application of time dependent Green's function method to scattering of elastic waves in anisotropic solids

NASA Astrophysics Data System (ADS)

Tewary, Vinod K.; Fortunko, Christopher M.

The present, time-dependent 3D Green's function method resembles that used to study the propagation of elastic waves in a general, anisotropic half-space in the lattice dynamics of crystals. The method is used to calculate the scattering amplitude of elastic waves from a discontinuity in the half-space; exact results are obtained for 3D pulse propagation in a general, anisotropic half-space that contains either an interior point or a planar scatterer. The results thus obtained are applicable in the design of ultrasonic scattering experiments, especially as an aid in the definition of the spatial and time-domain transducer responses that can maximize detection reliability for specific categories of flaws in highly anisotropic materials.

Reflection color filters of the three primary colors with wide viewing angles using common-thickness silicon subwavelength gratings.

PubMed

Kanamori, Yoshiaki; Ozaki, Toshikazu; Hane, Kazuhiro

2014-10-20

We fabricated reflection color filters of the three primary colors with wide viewing angles using silicon two-dimensional subwavelength gratings on the same quartz substrate. The grating periods were 400, 340, and 300 nm for red, green, and blue filters, respectively. All of the color filters had the same grating thickness of 100 nm, which enabled simple fabrication of a color filter array. Reflected colors from the red, green, and blue filters under s-polarized white-light irradiation appeared in the respective colors at incident angles from 0 to 50°. By rigorous coupled-wave analysis, the dimensions of each color filter were designed, and the calculated reflectivity was compared with the measured reflectivity.

Forster energy transfer in chlorosomes of green photosynthetic bacteria

NASA Technical Reports Server (NTRS)

Causgrove, T. P.; Brune, D. C.; Blankenship, R. E.

1992-01-01

Energy transfer properties of whole cells and chlorosome antenna complexes isolated from the green sulfur bacteria Chlorobium limicola (containing bacteriochlorophyll c), Chlorobium vibrioforme (containing bacteriochlorophyll d) and Pelodictyon phaeoclathratiforme (containing bacteriochlorophyll e) were measured. The spectral overlap of the major chlorosome pigment (bacteriochlorophyll c, d or, e) with the bacteriochlorophyll a B795 chlorosome baseplate pigment is greatest for bacteriochlorophyll c and smallest for bacteriochlorophyll e. The absorbance and fluorescence spectra of isolated chlorosomes were measured, fitted to gaussian curves and the overlap factors with B795 calculated. Energy transfer times from the bacteriochlorophyll c, d or e to B795 were measured in whole cells and the results interpreted in terms of the Forster theory of energy transfer.

Specific gravity and other properties of wood and bark for 156 tree species found in North America

Treesearch

Patrick D. Miles

2009-01-01

This paper reports information for the estimation of biomass for 156 tree species found in North America for use in national forest inventory applications. We present specific gravities based on average green volume as well as 12 percent moisture content volume for calculation of oven-dry biomass....

Calculation of single chain cellulose elasticity using fully atomistic modeling

Treesearch

Xiawa Wu; Robert J. Moon; Ashlie Martini

2011-01-01

Cellulose nanocrystals, a potential base material for green nanocomposites, are ordered bundles of cellulose chains. The properties of these chains have been studied for many years using atomic-scale modeling. However, model predictions are difficult to interpret because of the significant dependence of predicted properties on model details. The goal of this study is...

Comparison of nested-multiplex, Taqman & SYBR Green real-time PCR in diagnosis of amoebic liver abscess in a tertiary health care institute in India

PubMed Central

Dinoop, K.P.; Parija, Subhash Chandra; Mandal, Jharna; Swaminathan, R.P.; Narayanan, P.

2016-01-01

Background & objectives: Amoebiasis is a common parasitic infection caused by Entamoeba histolytica and amoebic liver abscess (ALA) is the most common extraintestinal manifestation of amoebiasis. The aim of this study was to standardise real-time PCR assays (Taqman and SYBR Green) to detect E. histolytica from liver abscess pus and stool samples and compare its results with nested-multiplex PCR. Methods: Liver abscess pus specimens were subjected to DNA extraction. The extracted DNA samples were subjected to amplification by nested-multiplex PCR, Taqman (18S rRNA) and SYBR Green real-time PCR (16S-like rRNA assays to detect E. histolytica/E. dispar/E. moshkovskii). The amplification products were further confirmed by DNA sequence analysis. Receiver operator characteristic (ROC) curve analysis was done for nested-multiplex and SYBR Green real-time PCR and the area under the curve was calculated for evaluating the accuracy of the tests to dignose ALA. Results: In all, 17, 19 and 25 liver abscess samples were positive for E. histolytica by nested-multiplex PCR, SYBR Green and Taqman real-time PCR assays, respectively. Significant differences in detection of E. histolytica were noted in the real-time PCR assays evaluated (P<0.0001). The nested-multiplex PCR, SYBR Green real-time PCR and Taqman real-time PCR evaluated showed a positivity rate of 34, 38 and 50 per cent, respectively. Based on ROC curve analysis (considering Taqman real-time PCR as the gold standard), it was observed that SYBR Green real-time PCR was better than conventional nested-multiplex PCR for the diagnosis of ALA. Interpretation & conclusions: Taqman real-time PCR targeting the 18S rRNA had the highest positivity rate evaluated in this study. Both nested multiplex and SYBR Green real-time PCR assays utilized were evaluated to give accurate results. Real-time PCR assays can be used as the gold standard in rapid and reliable diagnosis, and appropriate management of amoebiasis, replacing the conventional molecular methods. PMID:26997014

Review of plants to mitigate particulate matter, ozone as well as nitrogen dioxide air pollutants and applicable recommendations for green roofs in Montreal, Quebec.

PubMed

Gourdji, Shannon

2018-05-28

In urbanized regions with expansive impervious surfaces and often low vegetation cover, air pollution due to motor vehicles and other combustion sources, is a problem. The poor air quality days in Montreal, Quebec are mainly due to fine particulate matter and ozone. Businesses using wood ovens are a source of particulates. Careful vegetation selection and increased green roof usage can improve air quality. This paper reviews different green roofs and the capability of plants in particulate matter (PM), ozone (O 3 ) as well as nitrogen dioxide (NO 2 ) level reductions. Both the recommended green roof category and plants to reduce these pollutants in Montreal's zone 5 hardiness region are provided. Green roofs with larger vegetation including shrubs and trees, or intensive green roofs, remove air pollutants to a greater extent and are advisable to implement on existing, retrofitted or new buildings. PM is most effectively captured by pines. The small Pinus strobus 'Nana', Pinus mugho var. pumilio, Pinus mugho 'Slowmound' and Pinus pumila 'Dwarf Blue' are good candidates for intensive green roofs. Drought tolerant, deciduous broadleaved trees with low biogenic volatile organic compound emissions including Japanese Maple or Acer palmatum 'Shaina' and 'Mikawa-Yatsubusa' are options to reduce O 3 levels. Magnolias are tolerant to NO 2 and it is important in their metabolic pathways. The small cold-tolerant Magnolia 'Genie' is a good option to remove NO 2 in urban settings and to indirectly reduce O 3 formation. Given the emissions by Montreal businesses' wood ovens, calculations performed based on their respective complex roof areas obtained via Google Earth Pro indicates 88% Pinus mugho var. pumilio roof coverage can annually remove 92.37 kg of PM 10 of which 35.10 kg is PM 2.5 . The removal rates are 4.00 g/m 2 and 1.52 g/m 2 for PM 10 and PM 2.5 , respectively. This paper provides insight to addressing air pollution through urban rooftop greening. Copyright © 2018 Elsevier Ltd. All rights reserved.

Neighbouring green space and mortality in community-dwelling elderly Hong Kong Chinese: a cohort study.

PubMed

Wang, Dan; Lau, Kevin Ka-Lun; Yu, Ruby; Wong, Samuel Y S; Kwok, Timothy T Y; Woo, Jean

2017-08-01

Green space has been shown to be beneficial for human wellness through multiple pathways. This study aimed to explore the contributions of neighbouring green space to cause-specific mortality. Data from 3544 Chinese men and women (aged ≥65 years at baseline) in a community-based cohort study were analysed. Outcome measures, identified from the death registry, were death from all-cause, respiratory system disease, circulatory system disease. The quantity of green space (%) within a 300 m radius buffer was calculated for each subject from a map created based on the Normalised Difference Vegetation Index. Cox proportional hazard models adjusted for demographics, socioeconomics, lifestyle, health conditions and housing type were used to estimate the HRs and 95% CIs. During a mean of 10.3 years of follow-up, 795 deaths were identified. Our findings showed that a 10% increase in coverage of green space was significantly associated with a reduction in all-cause mortality (HR 0.963, 95% CI 0.930 to 0.998), circulatory system-caused mortality (HR 0.887, 95% CI 0.817 to 0.963) and stroke-caused mortality (HR 0.661, 95% CI 0.524 to 0.835), independent of age, sex, marital status, years lived in Hong Kong, education level, socioeconomic ladder, smoking, alcohol intake, diet quality, self-rated health and housing type. The inverse associations between coverage of green space with all-cause mortality (HR 0.964, 95% CI 0.931 to 0.999) and circulatory system disease-caused mortality (HR 0.888, 95% CI 0.817 to 0.964) were attenuated when the models were further adjusted for physical activity and cognitive function. The effects of green space on all-cause and circulatory system-caused mortality tended to be stronger in females than in males. Higher coverage of green space was associated with reduced risks of all-cause mortality, circulatory system-caused mortality and stroke-caused mortality in Chinese older people living in a highly urbanised city. © Article author(s) (or their employer(s) unless otherwise stated in the text of the article) 2017. All rights reserved. No commercial use is permitted unless otherwise expressly granted.

Neighbouring green space and mortality in community-dwelling elderly Hong Kong Chinese: a cohort study

PubMed Central

Wang, Dan; Lau, Kevin Ka-Lun; Yu, Ruby; Wong, Samuel Y S; Kwok, Timothy T Y; Woo, Jean

2017-01-01

Objective Green space has been shown to be beneficial for human wellness through multiple pathways. This study aimed to explore the contributions of neighbouring green space to cause-specific mortality. Methods Data from 3544 Chinese men and women (aged ≥65 years at baseline) in a community-based cohort study were analysed. Outcome measures, identified from the death registry, were death from all-cause, respiratory system disease, circulatory system disease. The quantity of green space (%) within a 300 m radius buffer was calculated for each subject from a map created based on the Normalised Difference Vegetation Index. Cox proportional hazard models adjusted for demographics, socioeconomics, lifestyle, health conditions and housing type were used to estimate the HRs and 95% CIs. Results During a mean of 10.3 years of follow-up, 795 deaths were identified. Our findings showed that a 10% increase in coverage of green space was significantly associated with a reduction in all-cause mortality (HR 0.963, 95% CI 0.930 to 0.998), circulatory system-caused mortality (HR 0.887, 95% CI 0.817 to 0.963) and stroke-caused mortality (HR 0.661, 95% CI 0.524 to 0.835), independent of age, sex, marital status, years lived in Hong Kong, education level, socioeconomic ladder, smoking, alcohol intake, diet quality, self-rated health and housing type. The inverse associations between coverage of green space with all-cause mortality (HR 0.964, 95% CI 0.931 to 0.999) and circulatory system disease-caused mortality (HR 0.888, 95% CI 0.817 to 0.964) were attenuated when the models were further adjusted for physical activity and cognitive function. The effects of green space on all-cause and circulatory system-caused mortality tended to be stronger in females than in males. Conclusion Higher coverage of green space was associated with reduced risks of all-cause mortality, circulatory system-caused mortality and stroke-caused mortality in Chinese older people living in a highly urbanised city. PMID:28765127

Spectroradiometric monitoring for open outdoor culturing of algae and cyanobacteria.

PubMed

Reichardt, Thomas A; Collins, Aaron M; McBride, Robert C; Behnke, Craig A; Timlin, Jerilyn A

2014-08-20

We assess the measurement of hyperspectral reflectance for outdoor monitoring of green algae and cyanobacteria cultures with a multichannel, fiber-coupled spectroradiometer. Reflectance data acquired over a 4-week period are interpreted via numerical inversion of a reflectance model, in which the above-water reflectance is expressed as a quadratic function of the single backscattering albedo, which is dependent on the absorption and backscatter coefficients. The absorption coefficient is treated as the sum of component spectra consisting of the cultured species (green algae or cyanobacteria), dissolved organic matter, and water (including the temperature dependence of the water absorption spectrum). The backscatter coefficient is approximated as the scaled Hilbert transform of the culture absorption spectrum with a wavelength-independent vertical offset. Additional terms in the reflectance model account for the pigment fluorescence features and the water-surface reflection of sunlight and skylight. For the green algae and cyanobacteria, the wavelength-independent vertical offset of the backscatter coefficient is found to scale linearly with daily dry weight measurements, providing the capability for a nonsampling measurement of biomass in outdoor ponds. Other fitting parameters in the reflectance model are compared with auxiliary measurements and physics-based calculations. The model-derived magnitudes of sunlight and skylight water-surface reflections compare favorably with Fresnel reflectance calculations, while the model-derived quantum efficiency of Chl-a fluorescence is found to be in agreement with literature values. Finally, the water temperatures derived from the reflectance model exhibit excellent agreement with thermocouple measurements during the morning hours but correspond to significantly elevated temperatures in the afternoon hours.

Earthquake source tensor inversion with the gCAP method and 3D Green's functions

NASA Astrophysics Data System (ADS)

Zheng, J.; Ben-Zion, Y.; Zhu, L.; Ross, Z.

2013-12-01

We develop and apply a method to invert earthquake seismograms for source properties using a general tensor representation and 3D Green's functions. The method employs (i) a general representation of earthquake potency/moment tensors with double couple (DC), compensated linear vector dipole (CLVD), and isotropic (ISO) components, and (ii) a corresponding generalized CAP (gCap) scheme where the continuous wave trains are broken into Pnl and surface waves (Zhu & Ben-Zion, 2013). For comparison, we also use the waveform inversion method of Zheng & Chen (2012) and Ammon et al. (1998). Sets of 3D Green's functions are calculated on a grid of 1 km3 using the 3-D community velocity model CVM-4 (Kohler et al. 2003). A bootstrap technique is adopted to establish robustness of the inversion results using the gCap method (Ross & Ben-Zion, 2013). Synthetic tests with 1-D and 3-D waveform calculations show that the source tensor inversion procedure is reasonably reliable and robust. As initial application, the method is used to investigate source properties of the March 11, 2013, Mw=4.7 earthquake on the San Jacinto fault using recordings of ~45 stations up to ~0.2Hz. Both the best fitting and most probable solutions include ISO component of ~1% and CLVD component of ~0%. The obtained ISO component, while small, is found to be a non-negligible positive value that can have significant implications for the physics of the failure process. Work on using higher frequency data for this and other earthquakes is in progress.

Stereoselective green synthesis and molecular structures of highly functionalized spirooxindole-pyrrolidine hybrids - A combined experimental and theoretical investigation

NASA Astrophysics Data System (ADS)

Kumar, Raju Suresh; Almansour, Abdulrahman I.; Arumugam, Natarajan; Soliman, Saied M.; Kumar, Raju Ranjith; Altaf, Mohammad; Ghabbour, Hazem A.; Krishnamoorthy, Bellie Sundaram

2018-01-01

Highly functionalized spirooxindole-pyrrolidine hybrids have been synthesized stereoselectively through a [3 + 2] cycloaddition strategy in an ionic liquid, 1-butyl-3-methylimidazolium bromide ([bmim]Br). The structure of these spiro heterocyclic hybrids was elucidated using one and two dimensional NMR spectroscopy, single crystal X-ray crystallographic studies and Density Functional Theory (DFT) calculations. The calculated geometric parameters are in good agreement with the experimental data obtained from the X-ray structures. The Natural Bond Orbital (NBO) calculations on these molecules confirm the electron rich carbonyl oxygen and electron deficient NH groups. The 1H and 13C NMR chemical shifts calculated using GIAO method are in good agreement with the experimental data. The DFT computed polarizability values also suggest the possible NLO activity of these molecules.

Electron- and photon-impact ionization of furfural

NASA Astrophysics Data System (ADS)

Jones, D. B.; Ali, E.; Nixon, K. L.; Limão-Vieira, P.; Hubin-Franskin, M.-J.; Delwiche, J.; Ning, C. G.; Colgan, J.; Murray, A. J.; Madison, D. H.; Brunger, M. J.

2015-11-01

The He(i) photoelectron spectrum of furfural has been investigated, with its vibrational structure assigned for the first time. The ground and excited ionized states are assigned through ab initio calculations performed at the outer-valence Green's function level. Triple differential cross sections (TDCSs) for electron-impact ionization of the unresolved combination of the 4a″ + 21a' highest and next-highest occupied molecular orbitals have also been obtained. Experimental TDCSs are recorded in a combination of asymmetric coplanar and doubly symmetric coplanar kinematics. The experimental TDCSs are compared to theoretical calculations, obtained within a molecular 3-body distorted wave framework that employed either an orientation average or proper TDCS average. The proper average calculations suggest that they may resolve some of the discrepancies regarding the angular distributions of the TDCS, when compared to calculations employing the orbital average.

Continuous-time quantum Monte Carlo calculation of multiorbital vertex asymptotics

NASA Astrophysics Data System (ADS)

Kaufmann, Josef; Gunacker, Patrik; Held, Karsten

2017-07-01

We derive the equations for calculating the high-frequency asymptotics of the local two-particle vertex function for a multiorbital impurity model. These relate the asymptotics for a general local interaction to equal-time two-particle Green's functions, which we sample using continuous-time quantum Monte Carlo simulations with a worm algorithm. As specific examples we study the single-orbital Hubbard model and the three t2 g orbitals of SrVO3 within dynamical mean-field theory (DMFT). We demonstrate how the knowledge of the high-frequency asymptotics reduces the statistical uncertainties of the vertex and further eliminates finite-box-size effects. The proposed method benefits the calculation of nonlocal susceptibilities in DMFT and diagrammatic extensions of DMFT.

Electronics Environmental Benefits Calculator

EPA Pesticide Factsheets

The Electronics Environmental Benefits Calculator (EEBC) was developed to assist organizations in estimating the environmental benefits of greening their purchase, use and disposal of electronics.The EEBC estimates the environmental and economic benefits of: Purchasing Electronic Product Environmental Assessment Tool (EPEAT)-registered products; Enabling power management features on computers and monitors above default percentages; Extending the life of equipment beyond baseline values; Reusing computers, monitors and cell phones; and Recycling computers, monitors, cell phones and loads of mixed electronic products.The EEBC may be downloaded as a Microsoft Excel spreadsheet.See https://www.federalelectronicschallenge.net/resources/bencalc.htm for more details.

Crossover And MTF Characteristics Of A Tabular-Grain X-Ray Film

NASA Astrophysics Data System (ADS)

Huff, K. E.; Wagner, P. W.

1984-08-01

An orthochromatic x-ray film made with tabular silver halide grains has a significantly higher MTF when exposed with green-emitting intensifying screens than do conventional films with similar sensitometric properties. The primary reason for the improved MTF is a decrease in the amount of crossover exposure, i.e., exposure by light that has crossed the support one or more times. Two well-established sensitometric procedures for measuring crossover have been compared. One produces results accurate enough for calculations of MTF relationships. Calculated MTF relationships for tabulargrain and conventional films are compared with measured values.

The tight binding model study of the role of band filling on the charge gap in graphene-on-substrate in paramagnetic state

NASA Astrophysics Data System (ADS)

Panda, Rudrashish; Sahu, Sivabrata; Rout, G. C.

2017-05-01

We communicate here a tight binding theoretical model study of the band filling effect on the charge gap in graphene-on-substrate. The Hamiltonian consists of nearest neighbor electron hopping and substrate induced gap. Besides this the Coulomb interaction is considered here within mean-field approximation in the paramagnetic limit. The electron occupancies at two sublattices are calculated by Green's function technique and are solved self consistently. Finally the charge gap i.e. Δ ¯=U [ < na > -< nb > ] is calculated and computed numerically. The results are reported.

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

Lovato, A.; Gandolfi, S.; Carlson, J.

Here, the longitudinal and transverse electromagnetic response functions ofmore » $$^{12}$$C are computed in a ``first-principles'' Green's function Monte Carlo calculation, based on realistic two- and three-nucleon interactions and associated one- and two-body currents. We find excellent agreement between theory and experiment and, in particular, no evidence for the quenching of measured versus calculated longitudinal response. This is further corroborated by a re-analysis of the Coulomb sum rule, in which the contributions from the low-lying $$J^\\pi\\,$$=$$\\, 2^+$$, $0^+$ (Hoyle), and $4^+$ states in $$^{12}$$C are accounted for explicitly in evaluating the total inelastic strength.« less

Perturbative renormalization factors and O(a{sup 2}) corrections for lattice four-fermion operators with improved fermion/gluon actions

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

Constantinou, Martha; Panagopoulos, Haralambos; Skouroupathis, Apostolos

2011-04-01

In this work we calculate the corrections to the amputated Green's functions of four-fermion operators, in 1-loop lattice perturbation theory. One of the novel aspects of our calculations is that they are carried out to second order in the lattice spacing, O(a{sup 2}). We employ the Wilson/clover action for massless fermions (also applicable for the twisted mass action in the chiral limit) and a family of Symanzik improved actions for gluons. Our calculations have been carried out in a general covariant gauge. Results have been obtained for several popular choices of values for the Symanzik coefficients (Plaquette, Tree-level Symanzik, Iwasaki,more » TILW and DBW2 action). While our Green's function calculations regard any pointlike four-fermion operators which do not mix with lower dimension ones, we pay particular attention to {Delta}F=2 operators, both parity conserving and parity violating (F stands for flavor: S, C, B). By appropriately projecting those bare Green's functions we compute the perturbative renormalization constants for a complete basis of four-fermion operators and we study their mixing pattern. For some of the actions considered here, even O(a{sup 0}) results did not exist in the literature to date. The correction terms which we calculate (along with our previous O(a{sup 2}) calculation of Z{sub {Psi}}[M. Constantinou, V. Lubicz, H. Panagopoulos, and F. Stylianou, J. High Energy Phys. 10 (2009) 064.][M. Constantinou, P. Dimopoulos, R. Frezzotti, G. Herdoiza, K. Jansen, V. Lubicz, H. Panagopoulos, G. C. Rossi, S. Simula, F. Stylianou, and A. Vladikas, J. High Energy Phys. 08 (2010) 068.][C. Alexandrou, M. Constantinou, T. Korzec, H. Panagopoulos, and F. Stylianou (unpublished).]) are essential ingredients for minimizing the lattice artifacts which are present in nonperturbative evaluations of renormalization constants with the RI{sup '}-MOM method. Our perturbative results, for the matrix elements of {Delta}F=2 operators and for the corresponding renormalization matrices, depend on a large number of parameters: coupling constant, number of colors, lattice spacing, external momentum, clover parameter, Symanzik coefficients, gauge parameter. To make these results most easily accessible to the reader, we have included them in the distribution package of this paper, as an ASCII file named: 4-fermi.m; the file is best perused as Mathematica input. The main results of this work have been applied to improve nonperturbative estimates of the B{sub K}-parameter in N{sub F}=2 twisted mass lattice QCD [M. Constantinou, P. Dimopoulos, R. Frezzotti, K. Jansen, V. Gimenez, V. Lubicz, F. Mescia, H. Panagopoulos, M. Papinutto, G. C. Rossi, S. Simula, A. Skouroupathis, F. Stylianou, and A. Vladikas, arXiv:1009.5606.].« less

A real-time moment-tensor inversion system (GRiD-MT-3D) using 3-D Green's functions

NASA Astrophysics Data System (ADS)

Nagao, A.; Furumura, T.; Tsuruoka, H.

2016-12-01

We developed a real-time moment-tensor inversion system using 3-D Green's functions (GRiD-MT-3D) by improving the current system (GRiD-MT; Tsuruoka et al., 2009), which uses 1-D Green's functions for longer periods than 20 s. Our moment-tensor inversion is applied to the real-time monitoring of earthquakes occurring beneath Kanto basin area. The basin, which is constituted of thick sediment layers, lies on the complex subduction of the Philippine-Sea Plate and the Pacific Plate that can significantly affect the seismic wave propagation. We compute 3-D Green's functions using finite-difference-method (FDM) simulations considering a 3-D velocity model, which is based on the Japan Integrated Velocity Structure Model (Koketsu et al., 2012), that includes crust, mantle, and subducting plates. The 3-D FDM simulations are computed over a volume of 468 km by 432 km by 120 km in the EW, NS, and depth directions, respectively, that is discretized into 0.25 km grids. Considering that the minimum S wave velocity of the sedimentary layer is 0.5 km/s, simulations can compute seismograms up to 0.5 Hz. We calculate Green's functions between 24,700 sources, which are distributed every 0.1° in the horizontal direction and every 9 km in depth direction, and 13 F-net stations. To compute this large number of Green's functions, we used the EIC parallel computer of ERI. The reciprocity theory, which switches the source and station positions, is used to reduce total computation costs. It took 156 hours to compute all the Green's functions. Results show that at long-periods (T>15 s), only small differences are observed between the 3-D and 1-D Green's functions as indicated by high correlation coefficients of 0.9 between the waveforms. However, at shorter periods (T<10 s), the differences become larger and the correlation coefficients drop to 0.5. The effect of the 3-D heterogeneous structure especially affects the Green's functions for the ray paths that across complex geological structures, such as the sedimentary basin or the subducting plates. After incorporation of the 3-D Green's functions in the GRiD-MT-3D system, we compare the results to the former GRiD-MT system to demonstrate the effectiveness of the new system in terms of variance reduction and accuracy of the moment-tensor estimation for much smaller events than the current one.

Rapid computation of photoacoustic fields from normal and pathological red blood cells using a Green's function method

NASA Astrophysics Data System (ADS)

Saha, Ratan K.; Fadhel, Muhannad N.; Lawrence, Aamna; Karmakar, Subhajit; Adhikari, Arunabha; Kolios, Michael C.

2017-03-01

Photoacoustic (PA) field calculations using a Green's function approach is presented. The method has been applied to predict PA spectra generated by normal (discocyte) and pathological (stomatocyte) red blood cells (RBCs). The contours of normal and pathological RBCs were generated by employing a popular parametric model and accordingly, fitted with the Legendre polynomial expansions for surface parametrization. The first frequency minimum of theoretical PA spectrum approximately appears at 607 MHz for a discocyte and 410 MHz for a stomatocyte when computed from the direction of symmetry axis. The same feature occurs nearly at 247 and 331 MHz, respectively, for those particles when measured along the perpendicular direction. The average experimental spectrum for normal RBCs is found to be flat over a bandwidth of 150-500 MHz when measured along the direction of symmetry axis. For spherical RBCs, both the theoretical and experimental spectra demonstrate negative slope over a bandwidth of 250-500 MHz. Using the Green's function method discussed, it may be possible to rapidly characterize cellular morphology from single-particle PA spectra.

Structural studies of a green-emitting terbium doped calcium zinc phosphate phosphor

NASA Astrophysics Data System (ADS)

Ramesh, B.; Dillip, G. R.; Rambabu, B.; Joo, S. W.; Raju, B. Deva Prasad

2018-03-01

In this study, a new green emitting CaZn2(PO4)2:Tb3+ phosphors were synthesized through solid-state reaction route. The phosphors were characterized structurally by X-ray diffraction, Fourier transform infrared spectroscopy (FTIR) and X-ray photoelectron spectroscopy (XPS). All the synthesized phosphors were crystallized in triclinic crystal structure with P 1 bar space group. The phosphate groups in the phosphors were confirmed by FTIR analysis. The surface elements O 1s, P 2p, Ca 2p, Zn 2p and Tb 3d were studied by high-resolution XPS spectra. Upon excitation at 378 nm, the dominant green emission of CaZn2(PO4)2:Tb3+ phosphors at 542 nm were noticed in the emission spectra. For various emission wavelengths (at 435 and 489 nm) and constant excitation wavelength (at 378 nm), the decay curves have shown two different decay dynamics of phosphors. The lighting properties such as Commission International de l'Eclairage (x = 0.319, y = 0.398) and color temperature (5995 K) were calculated.

Adsorption isotherms and kinetics studies of malachite green on chitin hydrogels.

PubMed

Tang, Hu; Zhou, Weijie; Zhang, Lina

2012-03-30

A chitin hydrogel with concentration 3 wt% (CG3) was successfully prepared from chitin solution dissolved in 8 wt% NaOH/4 wt% urea aqueous system at low temperature by crosslinking with 5 wt% epichlorohydrin. The experimental results revealed that CG3 exhibited high efficiency to remove dye (malachite green) from aqueous solution, as a result of their microporous structure, large surface area and affinity on the dye. The equilibrium process was described well by the Langmuir isotherm model, showing a monolayer adsorption. From kinetic experiments, the adsorption process followed the pseudo-second-order kinetic model, indicating that the overall rate of dye uptake could be controlled by external mass transfer at the beginning of adsorption, while intraparticle diffusion controlled the overall rate of adsorption at a later stage. The activation energy calculated from Arrhenius equation and the result of SEM and FTIR indicated that the adsorption of malachite green on the CG3 was physical process. This work provided an attractive adsorbent for removing of the hazardous materials from wastewater. Crown Copyright © 2012. Published by Elsevier B.V. All rights reserved.

Accurate analytical modeling of junctionless DG-MOSFET by green's function approach

NASA Astrophysics Data System (ADS)

Nandi, Ashutosh; Pandey, Nilesh

2017-11-01

An accurate analytical model of Junctionless double gate MOSFET (JL-DG-MOSFET) in the subthreshold regime of operation is developed in this work using green's function approach. The approach considers 2-D mixed boundary conditions and multi-zone techniques to provide an exact analytical solution to 2-D Poisson's equation. The Fourier coefficients are calculated correctly to derive the potential equations that are further used to model the channel current and subthreshold slope of the device. The threshold voltage roll-off is computed from parallel shifts of Ids-Vgs curves between the long channel and short-channel devices. It is observed that the green's function approach of solving 2-D Poisson's equation in both oxide and silicon region can accurately predict channel potential, subthreshold current (Isub), threshold voltage (Vt) roll-off and subthreshold slope (SS) of both long & short channel devices designed with different doping concentrations and higher as well as lower tsi/tox ratio. All the analytical model results are verified through comparisons with TCAD Sentaurus simulation results. It is observed that the model matches quite well with TCAD device simulations.

Rb-Sr and Sm-Nd Isotopic Studies of Lunar Green and Orange Glasses

NASA Technical Reports Server (NTRS)

Shih, C.-Y.; Nyquist, L. E.; Reese, Y.

2012-01-01

Lunar volcanic glassy beads have been considered as quenched basaltic magmas derived directly from deep lunar mantle during fire-fountaining eruptions [1]. Since these sub-mm size glassy melt droplets were cooled in a hot gaseous medium during free flight [2], they have not been subject to mineral fractionations. Thus, they represent primary magmas and are the best samples for the investigation of the lunar mantle. Previously, we presented preliminary Rb- Sr and Sm-Nd isotopic results for green and orange glassy samples from green glass clod 15426,63 and orange soil 74220,44, respectively [3]. Using these isotopic data, initial Sr-87/Sr-86 and Nd ratios for these pristine mare glass sources can be calculated from their respective crystallization ages previously determined by other age-dating techniques. These isotopic data were used to evaluate the mineralogy of the mantle sources. In this report, we analyzed additional glassy samples in order to further characterize isotopic signatures of their source regions. Also, we'll postulate a relationship between these two major mare basalt source mineralogies in the context of lunar magma ocean dynamics.

Compaction and sintering behaviors of a Nd-Fe-B permanent magnet alloy

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

Chin, T.; Hung, M.; Tsai, D.

1988-11-15

Extensive x-ray diffraction (XRD) and magnetic measurements were done on Nd/sub 15/ Fe/sub 77/ B/sub 8/ magnet alloy green compacts after cold isostatic pressing following a pulsed 2-T field (CIP) and die-pressing under a static 1.2-T perpendicular field (DP1) or parallel field (DP2), and on those after sintering. An alignment factor F, through the calculation of the integrated diffraction intensity ratio of the XRD patterns, was adopted as the effectiveness of magnetic alignment. At the green compact state, DP1 has the best alignment while CIP the worst. However, after sintering the alignment factor was such that CIP>DPI>DP2, the same ordermore » as the magnetic properties. Three mechanisms were proposed for the evolution of the alignment factor at different stages of sintering, i.e., that both the appearance of a liquid phase at low temperatures and preferred grain growth at high temperatures enhance F, while recrystallization at intermediate temperatures deteriorates F. CIP results in less-defect green compact, hence less recrystallization, leading to better resultant alignment« less

Nature-Based Strategies for Improving Urban Health and Safety.

PubMed

Kondo, Michelle C; South, Eugenia C; Branas, Charles C

2015-10-01

Place-based programs are being noticed as key opportunities to prevent disease and promote public health and safety for populations at-large. As one key type of place-based intervention, nature-based and green space strategies can play an especially large role in improving health and safety for dwellers in urban environments such as US legacy cities that lack nature and greenery. In this paper, we describe the current understanding of place-based influences on public health and safety. We focus on nonchemical environmental factors, many of which are related to urban abandonment and blight. We then review findings from studies of nature-based interventions regarding impacts on health, perceptions of safety, and crime. Based on our findings, we suggest that further research in this area will require (1) refined measures of green space, nature, and health and safety for cities, (2) interdisciplinary science and cross-sector policy collaboration, (3) observational studies as well as randomized controlled experiments and natural experiments using appropriate spatial counterfactuals and mixed methods, and (4) return-on-investment calculations of potential economic, social, and health costs and benefits of urban greening initiatives.

The green, blue and grey water footprint of crops and derived crop products

NASA Astrophysics Data System (ADS)

Mekonnen, M. M.; Hoekstra, A. Y.

2011-01-01

This study quantifies the green, blue and grey water footprint of global crop production in a spatially-explicit way for the period 1996-2005. The assessment is global and improves upon earlier research by taking a high-resolution approach, estimating the water footprint of 126 crops at a 5 by 5 arc min grid. We have used a grid-based dynamic water balance model to calculate crop water use over time, with a time step of one day. The model takes into account the daily soil water balance and climatic conditions for each grid cell. In addition, the water pollution associated with the use of nitrogen fertilizer in crop production is estimated for each grid cell. The crop evapotranspiration of additional 20 minor crops is calculated with the CROPWAT model. In addition, we have calculated the water footprint of more than two hundred derived crop products, including various flours, beverages, fibres and biofuels. We have used the water footprint assessment framework as in the guideline of the water footprint network. Considering the water footprints of primary crops, we see that global average water footprint per ton of crop increases from sugar crops (roughly 200 m3 ton-1), vegetables (300 m3 ton-1), roots and tubers (400 m3 ton-1), fruits (1000 m3 ton-1), cereals} (1600 m3 ton-1), oil crops (2400 m3 ton-1) to pulses (4000 m3 ton-1). The water footprint varies, however, across different crops per crop category and per production region as well. Besides, if one considers the water footprint per kcal, the picture changes as well. When considered per ton of product, commodities with relatively large water footprints are: coffee, tea, cocoa, tobacco, spices, nuts, rubber and fibres. The analysis of water footprints of different biofuels shows that bio-ethanol has a lower water footprint (in m3 GJ-1) than biodiesel, which supports earlier analyses. The crop used matters significantly as well: the global average water footprint of bio-ethanol based on sugar beet amounts to 51 m3 GJ-1, while this is 121 m3 GJ-1 for maize. The global water footprint related to crop production in the period 1996-2005 was 7404 billion cubic meters per year (78% green, 12% blue, 10% grey). A large total water footprint was calculated for wheat (1087 Gm3 yr-1), rice (992 Gm3 yr-1) and maize (770 Gm3 yr-1). Wheat and rice have the largest blue water footprints, together accounting for 45% of the global blue water footprint. At country level, the total water footprint was largest for India (1047 Gm3 yr-1), China (967 Gm3 yr-1) and the USA (826 Gm3 yr-1). A relatively large total blue water footprint as a result of crop production is observed in the Indus River Basin (117 Gm3 yr-1) and the Ganges River Basin (108 Gm3 yr-1). The two basins together account for 25% of the blue water footprint related to global crop production. Globally, rain-fed agriculture has a water footprint of 5173 Gm3 yr-1 (91% green, 9% grey); irrigated agriculture has a water footprint of 2230 Gm3 yr-1 (48% green, 40% blue, 12% grey).

The green, blue and grey water footprint of crops and derived crop products

NASA Astrophysics Data System (ADS)

Mekonnen, M. M.; Hoekstra, A. Y.

2011-05-01

This study quantifies the green, blue and grey water footprint of global crop production in a spatially-explicit way for the period 1996-2005. The assessment improves upon earlier research by taking a high-resolution approach, estimating the water footprint of 126 crops at a 5 by 5 arc minute grid. We have used a grid-based dynamic water balance model to calculate crop water use over time, with a time step of one day. The model takes into account the daily soil water balance and climatic conditions for each grid cell. In addition, the water pollution associated with the use of nitrogen fertilizer in crop production is estimated for each grid cell. The crop evapotranspiration of additional 20 minor crops is calculated with the CROPWAT model. In addition, we have calculated the water footprint of more than two hundred derived crop products, including various flours, beverages, fibres and biofuels. We have used the water footprint assessment framework as in the guideline of the Water Footprint Network. Considering the water footprints of primary crops, we see that the global average water footprint per ton of crop increases from sugar crops (roughly 200 m3 ton-1), vegetables (300 m3 ton-1), roots and tubers (400 m3 ton-1), fruits (1000 m3 ton-1), cereals (1600 m3 ton-1), oil crops (2400 m3 ton-1) to pulses (4000 m3 ton-1). The water footprint varies, however, across different crops per crop category and per production region as well. Besides, if one considers the water footprint per kcal, the picture changes as well. When considered per ton of product, commodities with relatively large water footprints are: coffee, tea, cocoa, tobacco, spices, nuts, rubber and fibres. The analysis of water footprints of different biofuels shows that bio-ethanol has a lower water footprint (in m3 GJ-1) than biodiesel, which supports earlier analyses. The crop used matters significantly as well: the global average water footprint of bio-ethanol based on sugar beet amounts to 51 m3 GJ-1, while this is 121 m3 GJ-1 for maize. The global water footprint related to crop production in the period 1996-2005 was 7404 billion cubic meters per year (78 % green, 12 % blue, 10 % grey). A large total water footprint was calculated for wheat (1087 Gm3 yr-1), rice (992 Gm3 yr-1) and maize (770 Gm3 yr-1). Wheat and rice have the largest blue water footprints, together accounting for 45 % of the global blue water footprint. At country level, the total water footprint was largest for India (1047 Gm3 yr-1), China (967 Gm3 yr-1) and the USA (826 Gm3 yr-1). A relatively large total blue water footprint as a result of crop production is observed in the Indus river basin (117 Gm3 yr-1) and the Ganges river basin (108 Gm3 yr-1). The two basins together account for 25 % of the blue water footprint related to global crop production. Globally, rain-fed agriculture has a water footprint of 5173 Gm3 yr-1 (91 % green, 9 % grey); irrigated agriculture has a water footprint of 2230 Gm3 yr-1 (48 % green, 40 % blue, 12 % grey).

Anti-acne, anti-dandruff and anti-breast cancer efficacy of green synthesised silver nanoparticles using Coriandrum sativum leaf extract.

PubMed

Sathishkumar, Palanivel; Preethi, Johnson; Vijayan, Raji; Mohd Yusoff, Abdull Rahim; Ameen, Fuad; Suresh, Sadhasivam; Balagurunathan, Ramasamy; Palvannan, Thayumanavan

2016-10-01

In this present investigation, AgNPs were green synthesised using Coriandrum sativum leaf extract. The physicochemical properties of AgNPs were characterised using UV-visible spectrophotometer, field emission scanning microscopy/energy dispersive X-ray (FESEM/EDX), Fourier transformed infrared spectroscopy (FT-IR), X-ray diffraction (XRD) and Brunauer-Emmett-Teller (BET) analysis. Further, in vitro anti-acne, anti-dandruff and anti-breast cancer efficacy of green synthesised AgNPs were assessed against Propionibacterium acnes MTCC 1951, Malassezia furfur MTCC 1374 and human breast adenocarcinoma (MCF-7) cell line, respectively. The flavonoids present in the plant extract were responsible for the AgNPs synthesis. The green synthesised nanoparticles size was found to be ≈37nm. The BET analysis result shows that the surface area of the synthesised AgNPs was found to be 33.72m(2)g(-1). The minimal inhibitory concentration (MIC) of AgNPs for acne causative agent P. acnes and dandruff causative agent M. furfur was found to be at 3.1 and 25μgmL(-1), respectively. The half maximal inhibitory concentration (IC50) value of the AgNPs for MCF-7 cells was calculated as 30.5μgmL(-1) and complete inhibition was observed at a concentration of 100μgmL(-1). Finally, our results proved that green synthesised AgNPs using C. sativum have great potential in biomedical applications such as anti-acne, anti-dandruff and anti-breast cancer treatment. Copyright © 2016. Published by Elsevier B.V.

National fire-danger rating system fine-fuel moisture content tables—an Alaskan adaptation.

Treesearch

Richard J. Barney

1969-01-01

Fine-fuel moisture content tables, using dry bulb and dewpoint temperatures as entry data, have been developed for use with the National Fire-Danger Rating System in Alaska. Comparisons have been made which illustrate differences resulting from danger-rating calculations based on these new fine-fuel moisture content tables for the cured, transition, and green...

On the Calculation of Steady Flow in the Boundary Layer Near the Surface of a Cylinder in a Stream

DTIC Science & Technology

1934-07-17

Green’s.: souinn~b oprd meitlwt the thes inthi imortat rgio. Owng o th laourinivlve, i Wa not deme neesr ocryotGee’ aciai sn...n ..o a cicl of raiu 4.87 .... afud f ne ai U ............ .. u x . . . -.... . ... .. . . .. . . (.1 be~ ax 10 . The s orrepeonds-o p ar

Incorporation of a spatial source distribution and a spatial sensor sensitivity in a laser ultrasound propagation model using a streamlined Huygens' principle.

PubMed

Laloš, Jernej; Babnik, Aleš; Možina, Janez; Požar, Tomaž

2016-03-01

The near-field, surface-displacement waveforms in plates are modeled using interwoven concepts of Green's function formalism and streamlined Huygens' principle. Green's functions resemble the building blocks of the sought displacement waveform, superimposed and weighted according to the simplified distribution. The approach incorporates an arbitrary circular spatial source distribution and an arbitrary circular spatial sensitivity in the area probed by the sensor. The displacement histories for uniform, Gaussian and annular normal-force source distributions and the uniform spatial sensor sensitivity are calculated, and the corresponding weight distributions are compared. To demonstrate the applicability of the developed scheme, measurements of laser ultrasound induced solely by the radiation pressure are compared with the calculated waveforms. The ultrasound is induced by laser pulse reflection from the mirror-surface of a glass plate. The measurements show excellent agreement not only with respect to various wave-arrivals but also in the shape of each arrival. Their shape depends on the beam profile of the excitation laser pulse and its corresponding spatial normal-force distribution. Copyright © 2015 Elsevier B.V. All rights reserved.

High-throughput measurement of polymer film thickness using optical dyes

NASA Astrophysics Data System (ADS)

Grunlan, Jaime C.; Mehrabi, Ali R.; Ly, Tien

2005-01-01

Optical dyes were added to polymer solutions in an effort to create a technique for high-throughput screening of dry polymer film thickness. Arrays of polystyrene films, cast from a toluene solution, containing methyl red or solvent green were used to demonstrate the feasibility of this technique. Measurements of the peak visible absorbance of each film were converted to thickness using the Beer-Lambert relationship. These absorbance-based thickness calculations agreed within 10% of thickness measured using a micrometer for polystyrene films that were 10-50 µm. At these thicknesses it is believed that the absorbance values are actually more accurate. At least for this solvent-based system, thickness was shown to be accurately measured in a high-throughput manner that could potentially be applied to other equivalent systems. Similar water-based films made with poly(sodium 4-styrenesulfonate) dyed with malachite green oxalate or congo red did not show the same level of agreement with the micrometer measurements. Extensive phase separation between polymer and dye resulted in inflated absorbance values and calculated thickness that was often more than 25% greater than that measured with the micrometer. Only at thicknesses below 15 µm could reasonable accuracy be achieved for the water-based films.

Electronic transport close to semi-infinite 2D systems and their interfaces

NASA Astrophysics Data System (ADS)

Xia, Fanbing; Wang, Jian; Jian Wang's research Group Team

Transport properties of 2D materials especially close to their boundary has received much attention after the successful fabrication of Graphene. While most previous work is devoted to the conventional lead-device-lead setup with a finite size center area, this project investigates real space transport properties of infinite and semi-infinite 2D systems under the framework of Non-equilibrium Green's function. The commonly used method of calculating Green's function by inverting matrices in the real space can be unstable in dealing with large systems as sometimes it gives non-converging result. By transforming from the real space to momentum space, the author managed to replace the matrix inverting process by Brillouin Zone integral which can be greatly simplified by the application of contour integral. Combining this methodology with Dyson equations, we are able to calculate transport properties of semi-infinite graphene close to its zigzag boundary and its combination with other material including s-wave superconductor. Interference pattern of transmitted and reflected electrons, Graphene lensing effects and difference between Specular Andreev reflection and normal Andreev reflection are verified. We also generalize how to apply this method to a broad range of 2D materials. The University of Hong Kong.

[Research progress on water footprint in agricultural products].

PubMed

Lu, Yang; Liu, Xiu-wei; Zhang, Xi-ying

2015-10-01

Water is one of the important resources in human activities. Scientifically and rationally evaluating the effects of human activities on water resources is important for sustainable water resource management. The innovative concepts of water footprint (WF) distinguished the human water consumption into green water, blue water and grey water which extended the evaluation methods in sustainable utilization of water resources. Concepts of WF based on virtual water (VW) and based on life cycle assessment (LCA) both combined water quality and water quantity are now the focuses in agricultural water management researches. Theory of WF based on VW includes the calculation of green, blue and grey WF as well as the evaluation of the sustainability of water environment. Theory of WF based on LCA reflects the overall impact of consumptive and degradative water use on the environment. The purpose of this article was to elaborate the research progresses in theoretical calculation methods and environmental sustainability assessment of the two water footprint theories and then to analyze the differentiation of these two methodologies in describing the consumptive water use in agriculture and its effects on environment. Finally, some future research aspects on water footprint were provided.

Monte Carlo-based fluorescence molecular tomography reconstruction method accelerated by a cluster of graphic processing units.

PubMed

Quan, Guotao; Gong, Hui; Deng, Yong; Fu, Jianwei; Luo, Qingming

2011-02-01

High-speed fluorescence molecular tomography (FMT) reconstruction for 3-D heterogeneous media is still one of the most challenging problems in diffusive optical fluorescence imaging. In this paper, we propose a fast FMT reconstruction method that is based on Monte Carlo (MC) simulation and accelerated by a cluster of graphics processing units (GPUs). Based on the Message Passing Interface standard, we modified the MC code for fast FMT reconstruction, and different Green's functions representing the flux distribution in media are calculated simultaneously by different GPUs in the cluster. A load-balancing method was also developed to increase the computational efficiency. By applying the Fréchet derivative, a Jacobian matrix is formed to reconstruct the distribution of the fluorochromes using the calculated Green's functions. Phantom experiments have shown that only 10 min are required to get reconstruction results with a cluster of 6 GPUs, rather than 6 h with a cluster of multiple dual opteron CPU nodes. Because of the advantages of high accuracy and suitability for 3-D heterogeneity media with refractive-index-unmatched boundaries from the MC simulation, the GPU cluster-accelerated method provides a reliable approach to high-speed reconstruction for FMT imaging.

Effect of Solvation on Electron Detachment and Excitation Energies of a Green Fluorescent Protein Chromophore Variant.

PubMed

Bose, Samik; Chakrabarty, Suman; Ghosh, Debashree

2016-05-19

Hybrid quantum mechanics/molecular mechanics (QM/MM) is applied to the fluorinated green fluorescent protein (GFP) chromophore (DFHBDI) in its deprotonated form to understand the solvatochromic shifts in its vertical detachment energy (VDE) and vertical excitation energy (VEE). This variant of the GFP chromophore becomes fluorescent in an RNA environment and has a wide range of applications in biomedical and biochemical fields. From microsolvation studies, we benchmark (with respect to full QM) the accuracy of our QM/MM calculations with effective fragment potential (EFP) as the MM method of choice. We show that while the solvatochromic shift in the VEE is minimal (0.1 eV blue shift) and its polarization component is only 0.03 eV, the effect of the solvent on the VDE is quite large (3.85 eV). We also show by accurate calculations on the solvatochromic shift of the VDE that polarization accounts for ∼0.23 eV and therefore cannot be neglected. The effect of the counterions on the VDE of the deprotonated chromophore in solvation is studied in detail, and a charge-smearing scheme is suggested for charged chromophores.

Meissner effect in normal-superconducting proximity-contact double layers

NASA Astrophysics Data System (ADS)

Higashitani, Seiji; Nagai, Katsuhiko

1995-02-01

The Meissner effect in normal-superconducting proximity-contact double layers is discussed in the clean limit. The diamagnetic current is calculated using the quasi-classical Green's function. We obtain the quasi-classical Green's function linear in the vector potential in the proximity-contact double layers with a finite reflection coefficient at the interface. It is found that the diamagnetic current in the clean normal layer is constant in space, therefore, the magnetic field linearly decreases in the clean normal layer. We give an explicit expression for the screening length in the clean normal layer and study its temperature dependence. We show that the temperature dependence in the clean normal layer is considerably different from that in the dirty normal layer and agrees with a recent experiment in Au-Nb system.

Removal of Malachite Green Dye by Mangifera indica Seed Kernel Powder

NASA Astrophysics Data System (ADS)

Singh, Dilbagh; Sowmya, V.; Abinandan, S.; Shanthakumar, S.

2017-11-01

In this study, batch experiments were carried out to study the adsorption of Malachite green dye from aqueous solution by Mangifera indica (mango) seed kernel powder. The mango seed kernel powder was characterized by Fourier transform infrared spectroscopy and scanning electron microscopy. Effect of various parameters including pH, contact time, adsorbent dosage, initial dye concentration and temperature on adsorption capacity of the adsorbent was observed and the optimized condition for maximum dye removal was identified. Maximum percentage removal of 96% was achieved with an adsorption capacity of 22.8 mg/g at pH 6 with an initial concentration of 100 mg/l. The equilibrium data were examined to fit the Langmuir and Freundlich isotherm models. Thermodynamic parameters for the adsorption process were also calculated.

Comparison of the electromagnetic responses of C 12 obtained from the Green's function Monte Carlo and spectral function approaches

DOE PAGES

Rocco, Noemi; Lovato, Alessandro; Benhar, Omar

2016-12-23

Here, the electromagnetic responses of carbon obtained from the Green's function Monte Carlo and spectral function approaches using the same dynamical input are compared in the kinematical region corresponding to momentum transfer in the range 300–570 MeV. The results of our analysis, aimed at pinning down the limits of applicability of the approximations involved in the two schemes, indicate that the factorization ansatz underlying the spectral function formalism provides remarkably accurate results down to momentum transfer as low as 300 MeV. On the other hand, it appears that at 570 MeV relativistic corrections to the electromagnetic current not included inmore » the Monte Carlo calculations may play a significant role in the transverse channel.« less

Comparison of the electromagnetic responses of C 12 obtained from the Green's function Monte Carlo and spectral function approaches

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

Rocco, Noemi; Lovato, Alessandro; Benhar, Omar

Here, the electromagnetic responses of carbon obtained from the Green's function Monte Carlo and spectral function approaches using the same dynamical input are compared in the kinematical region corresponding to momentum transfer in the range 300–570 MeV. The results of our analysis, aimed at pinning down the limits of applicability of the approximations involved in the two schemes, indicate that the factorization ansatz underlying the spectral function formalism provides remarkably accurate results down to momentum transfer as low as 300 MeV. On the other hand, it appears that at 570 MeV relativistic corrections to the electromagnetic current not included inmore » the Monte Carlo calculations may play a significant role in the transverse channel.« less

Structural stability, vibrational, and bonding properties of potassium 1, 1′-dinitroamino-5, 5′-bistetrazolate: An emerging green primary explosive

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

Yedukondalu, N.; Vaitheeswaran, G., E-mail: gvsp@uohyd.ernet.in

2015-08-14

Potassium 1,1′-dinitroamino-5,5′-bistetrazolate (K{sub 2}DNABT) is a nitrogen rich (50.3% by weight, K{sub 2}C{sub 2}N{sub 12}O{sub 4}) green primary explosive with high performance characteristics, namely, velocity of detonation (D = 8.33 km/s), detonation pressure (P = 31.7 GPa), and fast initiating power to replace existing toxic primaries. In the present work, we report density functional theory (DFT) calculations on structural, equation of state, vibrational spectra, electronic structure, and absorption spectra of K{sub 2}DNABT. We have discussed the influence of weak dispersive interactions on structural and vibrational properties through the DFT-D2 method. We find anisotropic compressibility behavior (b

Interdimensional effects in systems with quasirelativistic fermions

NASA Astrophysics Data System (ADS)

Zulkoskey, A. C.; Dick, R.; Tanaka, K.

2017-07-01

We examine the Green function and the density of states for fermions moving in three-dimensional Dirac materials with interfaces which affect the propagation properties of particles. Motivation for our research comes from interest in materials that exhibit quasirelativistic dispersion relations. By modifying Dirac-type contributions to the Hamiltonian in an interface we are able to calculate the Green function and the density of states. The density of states inside the interface exhibits interpolating behavior between two and three dimensions, with two-dimensional behavior at high energies and three-dimensional behavior at low energies, provided that the shift in the mass parameter in the interface is small. We also discuss the impact of the interpolating density of states on optical absorption in Dirac materials with a two-dimensional substructure.

Detection of Minerals in Green Leafy Vegetables Using Laser Induced Breakdown Spectroscopy

NASA Astrophysics Data System (ADS)

Shukla, P.; Kumar, R.; Raib, A. Kumar

2016-11-01

The distribution of minerals in different green leafy vegetables, such as spinach, chenopodium, chickpea, mustard, and fenugreek, was calculated using laser induced breakdown spectroscopy (LIBS). LIBS can provide an easy, reliable, efficient, low-cost, and in situ chemical analysis with a reasonable precision. In situ LIBS spectra in the range 200-500 nm were carried out using fresh leaves and leaves in the pellet form. As the spectra suggest, magnesium and calcium are present in each vegetable; however, the amount of them varies. It is observed that the amount of iron is maximal in spinach. The nutrition value of the plants was analyzed, and it was revealed that they are low in calories and fat and high in protein, fiber, iron, calcium, and phytochemicals.

Photodegradation of malachite green under simulated and natural irradiation: kinetics, products, and pathways.

PubMed

Yong, Li; Zhanqi, Gao; Yuefei, Ji; Xiaobin, Hu; Cheng, Sun; Shaogui, Yang; Lianhong, Wang; Qingeng, Wang; Die, Fang

2015-03-21

In this work photodegradation rates and pathways of malachite green were studied under simulated and solar irradiation with the goal of assessing the potential of photolysis as a removal mechanism in real aquatic environment. Factors influencing the photodegradation process were investigated, including pH, humic acid, Fe(2+), Ca(2+), HCO3(-), and NO3(-), of which favorable conditions were optimized by the orthogonal array design under simulated sunlight irradiation in the presence of dissolved oxygen. The degradation processes of malachite green conformed to pseudo first-order kinetics and their degradation rate constants were between 0.0062 and 0.4012 h(-1). Under solar irradiation, the decolorization efficiency of most tests can reach almost 100%, and relatively thorough mineralization could be observed. Forty degradation products were detected by liquid chromatography-mass spectrometry, and thirteen small molecular products were identified by gas chromatography-mass spectrometry. Based on the analyses of the degradation products and calculation of the frontier electron density, the pathways were proposed: decomposition of conjugated structure, N-demethylation reactions, hydroxyl addition reactions, the removal of benzene ring, and the ring-opening reaction. This study has provided a reference, both for photodegradation of malachite green and future safety applications and predictions of decontamination of related triphenylmethane dyes under real conditions. Copyright © 2014 Elsevier B.V. All rights reserved.

Optimal monochromatic color combinations for fusion imaging of FDG-PET and diffusion-weighted MR images.

PubMed

Kamei, Ryotaro; Watanabe, Yuji; Sagiyama, Koji; Isoda, Takuro; Togao, Osamu; Honda, Hiroshi

2018-05-23

To investigate the optimal monochromatic color combination for fusion imaging of FDG-PET and diffusion-weighted MR images (DW) regarding lesion conspicuity of each image. Six linear monochromatic color-maps of red, blue, green, cyan, magenta, and yellow were assigned to each of the FDG-PET and DW images. Total perceptual color differences of the lesions were calculated based on the lightness and chromaticity measured with the photometer. Visual lesion conspicuity was also compared among the PET-only, DW-only and PET-DW-double positive portions with mean conspicuity scores. Statistical analysis was performed with a one-way analysis of variance and Spearman's rank correlation coefficient. Among all the 12 possible monochromatic color-map combinations, the 3 combinations of red/cyan, magenta/green, and red/green produced the highest conspicuity scores. Total color differences between PET-positive and double-positive portions correlated with conspicuity scores (ρ = 0.2933, p < 0.005). Lightness differences showed a significant negative correlation with conspicuity scores between the PET-only and DWI-only positive portions. Chromaticity differences showed a marginally significant correlation with conspicuity scores between DWI-positive and double-positive portions. Monochromatic color combinations can facilitate the visual evaluation of FDG-uptake and diffusivity as well as registration accuracy on the FDG-PET/DW fusion images, when red- and green-colored elements are assigned to FDG-PET and DW images, respectively.

Low-rank canonical-tensor decomposition of potential energy surfaces: application to grid-based diagrammatic vibrational Green's function theory

DOE PAGES

Rai, Prashant; Sargsyan, Khachik; Najm, Habib; ...

2017-03-07

Here, a new method is proposed for a fast evaluation of high-dimensional integrals of potential energy surfaces (PES) that arise in many areas of quantum dynamics. It decomposes a PES into a canonical low-rank tensor format, reducing its integral into a relatively short sum of products of low-dimensional integrals. The decomposition is achieved by the alternating least squares (ALS) algorithm, requiring only a small number of single-point energy evaluations. Therefore, it eradicates a force-constant evaluation as the hotspot of many quantum dynamics simulations and also possibly lifts the curse of dimensionality. This general method is applied to the anharmonic vibrationalmore » zero-point and transition energy calculations of molecules using the second-order diagrammatic vibrational many-body Green's function (XVH2) theory with a harmonic-approximation reference. In this application, high dimensional PES and Green's functions are both subjected to a low-rank decomposition. Evaluating the molecular integrals over a low-rank PES and Green's functions as sums of low-dimensional integrals using the Gauss–Hermite quadrature, this canonical-tensor-decomposition-based XVH2 (CT-XVH2) achieves an accuracy of 0.1 cm -1 or higher and nearly an order of magnitude speedup as compared with the original algorithm using force constants for water and formaldehyde.« less

Image analysis and green tea color change kinetics during thin-layer drying.

PubMed

Shahabi, Mohammad; Rafiee, Shahin; Mohtasebi, Seyed Saeid; Hosseinpour, Soleiman

2014-09-01

This study was conducted to investigate the effect of air temperature and air flow velocity on kinetics of color parameter changes during hot-air drying of green tea, to obtain the best model for hot-air drying of green tea, to apply a computer vision system and to study the color changes during drying. In the proposed computer vision system system, at first RGB values of the images were converted into XYZ values and then to Commission International d'Eclairage L*a*b* color coordinates. The obtained color parameters of L*, a* and b* were calibrated with Hunter-Lab colorimeter. These values were also used for calculation of the color difference, chroma, hue angle and browning index. The values of L* and b* decreased, while the values of a* and color difference (ΔE*ab ) increased during hot-air drying. Drying data were fitted to three kinetic models. Zero, first-order and fractional conversion models were utilized to describe the color changes of green tea. The suitability of fitness was determined using the coefficient of determination (R (2)) and root-mean-square error. Results showed that the fraction conversion model had more acceptable fitness than the other two models in most of color parameters. © The Author(s) 2013 Reprints and permissions: sagepub.co.uk/journalsPermissions.nav.

Green synthesis of novel zinc iron oxide (ZnFe2O4) nanocomposite via Moringa Oleifera natural extract for electrochemical applications

NASA Astrophysics Data System (ADS)

Matinise, N.; Kaviyarasu, K.; Mongwaketsi, N.; Khamlich, S.; Kotsedi, L.; Mayedwa, N.; Maaza, M.

2018-07-01

The main motivation of the research study involves development of reliable, accurate, inexpensive and environmental friendly method for the synthesis of zinc ferrite (ZnFe2O4) nanocomposites. It was thought of interest to synthesized zinc ferrite via green synthetic method using Moringa Oleifera extract. For the first time, we used green synthetic route via Moringa Oleifera extract acted as both chelating and reducing agents to synthesis spinel ZnFe2O4 nanocomposites. The physical and electrochemical properties were characterized using different techniques such as High Resolve Transmission Electron Microscope (HRTEM) Energy Dispersive X-ray Spectroscopy (EDS) X-ray diffraction (XRD) Fourier transform-infrared (FT-IR) Cyclic voltammetry (CV) and electrochemical impedance spectroscopy (EIS). The XRD pattern thus clearly illustrated that the ZnFe2O4 nanocmposites synthesized by the green method were good crystalline in nature. The time constant and exchange current of ZnFe2O4 nanocomposites from EIS analysis were calculated and found to be 5.2001 × 10-4 s/rad and 6.59432 × 10-4 A, respectively. Based on the electrochemical results, GCE/ZnFe2O4 electrode exhibited a good voltametric response, high electro-activity, and excellent electrochemical performance making it a highly suitable/promising electrode for electrochemical applications.

Low-rank canonical-tensor decomposition of potential energy surfaces: application to grid-based diagrammatic vibrational Green's function theory

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

Rai, Prashant; Sargsyan, Khachik; Najm, Habib

Here, a new method is proposed for a fast evaluation of high-dimensional integrals of potential energy surfaces (PES) that arise in many areas of quantum dynamics. It decomposes a PES into a canonical low-rank tensor format, reducing its integral into a relatively short sum of products of low-dimensional integrals. The decomposition is achieved by the alternating least squares (ALS) algorithm, requiring only a small number of single-point energy evaluations. Therefore, it eradicates a force-constant evaluation as the hotspot of many quantum dynamics simulations and also possibly lifts the curse of dimensionality. This general method is applied to the anharmonic vibrationalmore » zero-point and transition energy calculations of molecules using the second-order diagrammatic vibrational many-body Green's function (XVH2) theory with a harmonic-approximation reference. In this application, high dimensional PES and Green's functions are both subjected to a low-rank decomposition. Evaluating the molecular integrals over a low-rank PES and Green's functions as sums of low-dimensional integrals using the Gauss–Hermite quadrature, this canonical-tensor-decomposition-based XVH2 (CT-XVH2) achieves an accuracy of 0.1 cm -1 or higher and nearly an order of magnitude speedup as compared with the original algorithm using force constants for water and formaldehyde.« less

Implementation of a method for calculating temperature-dependent resistivities in the KKR formalism

NASA Astrophysics Data System (ADS)

Mahr, Carsten E.; Czerner, Michael; Heiliger, Christian

2017-10-01

We present a method to calculate the electron-phonon induced resistivity of metals in scattering-time approximation based on the nonequilibrium Green's function formalism. The general theory as well as its implementation in a density-functional theory based Korringa-Kohn-Rostoker code are described and subsequently verified by studying copper as a test system. We model the thermal expansion by fitting a Debye-Grüneisen curve to experimental data. Both the electronic and vibrational structures are discussed for different temperatures, and employing a Wannier interpolation of these quantities we evaluate the scattering time by integrating the electron linewidth on a triangulation of the Fermi surface. Based thereupon, the temperature-dependent resistivity is calculated and found to be in good agreement with experiment. We show that the effect of thermal expansion has to be considered in the whole calculation regime. Further, for low temperatures, an accurate sampling of the Fermi surface becomes important.

Efficient GW calculations using eigenvalue-eigenvector decomposition of the dielectric matrix

NASA Astrophysics Data System (ADS)

Nguyen, Huy-Viet; Pham, T. Anh; Rocca, Dario; Galli, Giulia

2011-03-01

During the past 25 years, the GW method has been successfully used to compute electronic quasi-particle excitation spectra of a variety of materials. It is however a computationally intensive technique, as it involves summations over occupied and empty electronic states, to evaluate both the Green function (G) and the dielectric matrix (DM) entering the expression of the screened Coulomb interaction (W). Recent developments have shown that eigenpotentials of DMs can be efficiently calculated without any explicit evaluation of empty states. In this work, we will present a computationally efficient approach to the calculations of GW spectra by combining a representation of DMs in terms of its eigenpotentials and a recently developed iterative algorithm. As a demonstration of the efficiency of the method, we will present calculations of the vertical ionization potentials of several systems. Work was funnded by SciDAC-e DE-FC02-06ER25777.

Self-consistent molecular dynamics calculation of diffusion in higher n-alkanes.

PubMed

Kondratyuk, Nikolay D; Norman, Genri E; Stegailov, Vladimir V

2016-11-28

Diffusion is one of the key subjects of molecular modeling and simulation studies. However, there is an unresolved lack of consistency between Einstein-Smoluchowski (E-S) and Green-Kubo (G-K) methods for diffusion coefficient calculations in systems of complex molecules. In this paper, we analyze this problem for the case of liquid n-triacontane. The non-conventional long-time tails of the velocity autocorrelation function (VACF) are found for this system. Temperature dependence of the VACF tail decay exponent is defined. The proper inclusion of the long-time tail contributions to the diffusion coefficient calculation results in the consistency between G-K and E-S methods. Having considered the major factors influencing the precision of the diffusion rate calculations in comparison with experimental data (system size effects and force field parameters), we point to hydrogen nuclear quantum effects as, presumably, the last obstacle to fully consistent n-alkane description.

Wall-to-lumen ratio of intracranial arteries measured by indocyanine green angiography

PubMed Central

Nakagawa, Daichi; Shojima, Masaaki; Yoshino, Masanori; Kin, Taichi; Imai, Hideaki; Nomura, Seiji; Saito, Toki; Nakatomi, Hirofumi; Oyama, Hiroshi; Saito, Nobuhito

2016-01-01

Background: The wall-to-lumen ratio (WLR) is an important parameter in vascular medicine because it indicates the character of vascular wall as well as the degree of stenosis. Despite the advances in medical imaging technologies, it is still difficult to measure the thin-walled normal intracranial arteries, and the reports on the WLR of normal intracranial artery are limited. It might be possible to calculate the WLR using the indocyanine green (ICG) angiography, which is used to observe intracranial vessels during microsurgery. Purpose: To evaluate the WLR of normal intracranial arteries using ICG angiography. Materials and Methods: From the three cases in which ICG angiography was recorded with a ruler during microsurgery, 20 measurement points were chosen for the analysis. The ICG was injected intravenously with a dose of 0.2 mg/kg, and the vessels were inspected at high magnification using an operating microscope equipped with near-infrared illumination system. The vessel outer diameter and the luminal diameter were measured using the images before and after the ICG arrival based on the pixel ratio method using a ruler as reference, respectively. The WLR was calculated as 0.5 × (vessel outer diameter − vessel luminal diameter). Results: The WLR (mean ± standard deviation) of normal intracranial arteries was 0.086 ± 0.022. The WLR tended to be high in small arteries. Conclusion: The WLR of normal intracranial arteries calculated using ICG angiography was consistent with the WLR reported in the previous reports based on human autopsy. PMID:27695538

Investigation on preferably oriented abnormal growth of CdSe nanorods along (0002) plane synthesized by henna leaf extract-mediated green synthesis

NASA Astrophysics Data System (ADS)

Iyyappa Rajan, P.; Judith Vijaya, J.; Jesudoss, S. K.; Kaviyarasu, K.; Lee, Seung-Cheol; John Kennedy, L.; Jothiramalingam, R.; Al-Lohedan, Hamad A.; Mahamad Abdullah, M.

2018-03-01

The theme of this work is to highlight the significance of green plant extracts in the synthesis of nanostructures. In asserting this statement, herein, we report our obtained results on the synthesis of hexagonal CdSe nanorods preferably oriented along (0002) plane through henna leaf extract-mediated reaction along with a discussion about the structural, morphological and optical properties of the synthesized nanorods. The possible mechanism for the synthesis of CdSe nanorods was explored. The formation of nanorods along (0002) plane was confirmed by the relatively high intensity of the (0002) peak in X-ray diffraction pattern. To account for the experimentally realistic condition, we have calculated the surface energies of hexagonal CdSe surface slabs along the low indexed (0002), (10 1 ¯ 0 ) and (11 2 ¯ 0 ) plane surfaces using density functional theory approach and the calculated surface energy value for (0002) surface is 802.7 mJ m-2, which is higher than (11 2 ¯ 0 ) and (10 1 ¯ 0 ) surfaces. On realizing the calculated surface energies of these slabs, we determined that the combination of (11 2 ¯ 0 ) and (10 1 ¯ 0 ) planes with lower surface energies will lead to the formation of CdSe nanorods growth along (0002) orientation. Finally, we argue that the design of new greener route for the synthesis of novel functional nanomaterials is highly desired.

A moment-tensor catalog for intermediate magnitude earthquakes in Mexico

NASA Astrophysics Data System (ADS)

Rodríguez Cardozo, Félix; Hjörleifsdóttir, Vala; Martínez-Peláez, Liliana; Franco, Sara; Iglesias Mendoza, Arturo

2016-04-01

Located among five tectonic plates, Mexico is one of the world's most seismically active regions. The earthquake focal mechanisms provide important information on the active tectonics. A widespread technique for estimating the earthquake magnitud and focal mechanism is the inversion for the moment tensor, obtained by minimizing a misfit function that estimates the difference between synthetic and observed seismograms. An important element in the estimation of the moment tensor is an appropriate velocity model, which allows for the calculation of accurate Green's Functions so that the differences between observed and synthetics seismograms are due to the source of the earthquake rather than the velocity model. However, calculating accurate synthetic seismograms gets progressively more difficult as the magnitude of the earthquakes decreases. Large earthquakes (M>5.0) excite waves of longer periods that interact weakly with lateral heterogeneities in the crust. For these events, using 1D velocity models to compute Greens functions works well and they are well characterized by seismic moment tensors reported in global catalogs (eg. USGS fast moment tensor solutions and GCMT). The opposite occurs for small and intermediate sized events, where the relatively shorter periods excited interact strongly with lateral heterogeneities in the crust and upper mantle. To accurately model the Green's functions for the smaller events in a large heterogeneous area, requires 3D or regionalized 1D models. To obtain a rapid estimate of earthquake magnitude, the National Seismological Survey in Mexico (Servicio Sismológico Nacional, SSN) automatically calculates seismic moment tensors for events in the Mexican Territory (Franco et al., 2002; Nolasco-Carteño, 2006). However, for intermediate-magnitude and small earthquakes the signal-to-noise ratio could is low for many of the seismic stations, and without careful selection and filtering of the data, obtaining a stable focal mechanism is difficult. The selection of data windows and filter parameters is tedious without a tool that allows easy viewing of the data prior to the inversion. Therefore, we developed a graphical user interface (GUI), based on Python and the python library ObsPy, that processes in a iterative and interactive way observed and synthetic seismograms prior to the inversion. The processing includes filtering, choosing and discarding traces and manual adjustment of time windows in which synthetics and observed seismograms will be compared. We calculate the Green Functions using the SPECFEM3D_GLOBE algorithm (Komatitsch et al.,2004) which employs a velocity model that is composed of a mantle and a crustal model, S362ANI (Kustowski et al., 2008) and CRUST2.0 (Bassin et al., 2000), respectively. We invert the observed seismograms for the seismic moment tensor using a method developed for earthquakes in California (Liu et al., 2004) and implemented for earthquakes in Mexico (De la Vega, 2014). In this work, we introduce the GUI, the inversion method and the results from the moment-tensor inversions obtained for intermediate-magnitude earthquakes (4.5

Shear Elasticity and Shear Viscosity Imaging in Soft Tissue

NASA Astrophysics Data System (ADS)

Yang, Yiqun

In this thesis, a new approach is introduced that provides estimates of shear elasticity and shear viscosity using time-domain measurements of shear waves in viscoelastic media. Simulations of shear wave particle displacements induced by an acoustic radiation force are accelerated significantly by a GPU. The acoustic radiation force is first calculated using the fast near field method (FNM) and the angular spectrum approach (ASA). The shear waves induced by the acoustic radiation force are then simulated in elastic and viscoelastic media using Green's functions. A parallel algorithm is developed to perform these calculations on a GPU, where the shear wave particle displacements at different observation points are calculated in parallel. The resulting speed increase enables rapid evaluation of shear waves at discrete points, in 2D planes, and for push beams with different spatial samplings and for different values of the f-number (f/#). The results of these simulations show that push beams with smaller f/# require a higher spatial sampling rate. The significant amount of acceleration achieved by this approach suggests that shear wave simulations with the Green's function approach are ideally suited for high-performance GPUs. Shear wave elasticity imaging determines the mechanical parameters of soft tissue by analyzing measured shear waves induced by an acoustic radiation force. To estimate the shear elasticity value, the widely used time-of-flight method calculates the correlation between shear wave particle velocities at adjacent lateral observation points. Although this method provides accurate estimates of the shear elasticity in purely elastic media, our experience suggests that the time-of-flight (TOF) method consistently overestimates the shear elasticity values in viscoelastic media because the combined effects of diffraction, attenuation, and dispersion are not considered. To address this problem, we have developed an approach that directly accounts for all of these effects when estimating the shear elasticity. This new approach simulates shear wave particle velocities using a Green's function-based approach for the Voigt model, where the shear elasticity and viscosity values are estimated using an optimization-based approach that compares measured shear wave particle velocities with simulated shear wave particle velocities in the time-domain. The results are evaluated on a point-by-point basis to generate images. There is good agreement between the simulated and measured shear wave particle velocities, where the new approach yields much better images of the shear elasticity and shear viscosity than the TOF method. The new estimation approach is accelerated with an approximate viscoelastic Green's function model that is evaluated with shear wave data obtained from in vivo human livers. Instead of calculating shear waves with combinations of different shear elasticities and shear viscosities, shear waves are calculated with different shear elasticities on the GPU and then convolved with a viscous loss model, which accelerates the calculation dramatically. The shear elasticity and shear viscosity values are then estimated using an optimization-based approach by minimizing the difference between measured and simulated shear wave particle velocities. Shear elasticity and shear viscosity images are generated at every spatial point in a two-dimensional (2D) field-of-view (FOV). The new approach is applied to measured shear wave data obtained from in vivo human livers, and the results show that this new approach successfully generates shear elasticity and shear viscosity images from this data. The results also indicate that the shear elasticity values estimated with this approach are significantly smaller than the values estimated with the conventional TOF method and that the new approach demonstrates more consistent values for these estimates compared with the TOF method. This experience suggests that the new method is an effective approach for estimating the shear elasticity and the shear viscosity in liver and in other soft tissue.

Infrared matrix-isolation and theoretical studies of the reactions of ferrocene with ozone.

PubMed

Kugel, Roger W; Pinelo, Laura F; Ault, Bruce S

2015-03-19

The reactions between ferrocene (Cp2Fe) (2a) and ozone (O3) were studied using low-temperature matrix-isolation techniques coupled with theoretical density functional theory (DFT) calculations. Co-deposition of Ar/Cp2Fe and Ar/O3 gas mixtures onto a cryogenically cooled CsI window produced a dark-green charge-transfer complex, Cp2Fe-O3, that photodecomposed upon red (λ ≥ 600 nm) and infrared (λ ≥ 1000 nm) irradiation but was stable to green or blue irradiation. Products of photodecomposition were characterized by FT-IR, oxygen-18 labeling, and DFT calculations using the B3LYP functionals and the 6-311G++(d,2p) basis set. Likely, photochemical products included four structures having the molecular formula C10H10FeO, identified by DFT calculations based on their calculated infrared spectra and (18)O isotope shifts. Each of these calculated molecules had one intact and fully coordinated η(5)-C5H5 cyclopentadienyl (Cp) ring and (1) an η(5)-C5H5O cyclic ether (pyran ring) (2b), (2) an η(4)-C5H5O linear aldehyde (2c), (3) a bidentate cyclic aldehyde with a seven-membered ring including the iron atom (2d), or (4) an Fe-O bond and an η(2)-C5H5 (Cp) ring (2e). No conclusive evidence for a gas-phase thermal reaction between ferrocene and ozone was observed under the conditions of these experiments. However, strong evidence for a surface-catalyzed thermal reaction was observed in merged-jet experiments wherein the gases were premixed before deposition. Surface-catalyzed ferrocene-ozone reaction products included a thin film of Fe2O3 observed on the walls of the merged tube as well as cyclopentadiene (C5H6), cyclopentadienone (C5H4O), and further oxidation products observed in the matrix. Possible mechanisms for both the photochemical and the thermal reactions are discussed.

Spectroradiometric monitoring for open outdoor culturing of algae and cyanobacteria

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

Reichardt, Thomas A.; Collins, Aaron M.; McBride, Robert C.

We assess the measurement of hyperspectral reflectance for the outdoor monitoring of green algae and cyanobacteria cultures with a multi-channel, fiber-coupled spectroradiometer. Reflectance data acquired over a four-week period are interpreted via numerical inversion of a reflectance model, in which the above-water reflectance is expressed as a quadratic function of the single backscattering albedo, dependent on the absorption and backscatter coefficients. The absorption coefficient is treated as the sum of component spectra consisting of the cultured species (green algae or cyanobacteria), dissolved organic matter, and water (including the temperature dependence of the water absorption spectrum). The backscatter coefficient is approximatedmore » as the scaled Hilbert transform of the culture absorption spectrum with a wavelength-independent vertical offset. Additional terms in the reflectance model account for the pigment fluorescence features and the water surface reflection of sunlight and skylight. For both the green algae and cyanobacteria, the wavelength-independent vertical offset of the backscatter coefficient is found to scale linearly with daily dry weight measurements, providing the capability for a non-sampling measurement of biomass in outdoor ponds. Other fitting parameters in the reflectance model are compared to auxiliary measurements and physics-based calculations. The magnitudes of the sunlight and skylight water-surface contributions derived from the reflectance model compare favorably with Fresnel reflectance calculations, while the reflectance-derived quantum efficiency of Chl-a fluorescence is found to be in agreement with literature values. To conlclude, the water temperature derived from the reflectance model exhibits excellent agreement with thermocouple measurements during the morning hours and highlights significantly elevated temperatures in the afternoon hours.« less

Spectroradiometric monitoring for open outdoor culturing of algae and cyanobacteria

DOE PAGES

Reichardt, Thomas A.; Collins, Aaron M.; McBride, Robert C.; ...

2014-08-20

We assess the measurement of hyperspectral reflectance for the outdoor monitoring of green algae and cyanobacteria cultures with a multi-channel, fiber-coupled spectroradiometer. Reflectance data acquired over a four-week period are interpreted via numerical inversion of a reflectance model, in which the above-water reflectance is expressed as a quadratic function of the single backscattering albedo, dependent on the absorption and backscatter coefficients. The absorption coefficient is treated as the sum of component spectra consisting of the cultured species (green algae or cyanobacteria), dissolved organic matter, and water (including the temperature dependence of the water absorption spectrum). The backscatter coefficient is approximatedmore » as the scaled Hilbert transform of the culture absorption spectrum with a wavelength-independent vertical offset. Additional terms in the reflectance model account for the pigment fluorescence features and the water surface reflection of sunlight and skylight. For both the green algae and cyanobacteria, the wavelength-independent vertical offset of the backscatter coefficient is found to scale linearly with daily dry weight measurements, providing the capability for a non-sampling measurement of biomass in outdoor ponds. Other fitting parameters in the reflectance model are compared to auxiliary measurements and physics-based calculations. The magnitudes of the sunlight and skylight water-surface contributions derived from the reflectance model compare favorably with Fresnel reflectance calculations, while the reflectance-derived quantum efficiency of Chl-a fluorescence is found to be in agreement with literature values. To conlclude, the water temperature derived from the reflectance model exhibits excellent agreement with thermocouple measurements during the morning hours and highlights significantly elevated temperatures in the afternoon hours.« less

A Colour Opponent Model That Explains Tsetse Fly Attraction to Visual Baits and Can Be Used to Investigate More Efficacious Bait Materials

PubMed Central

Santer, Roger D.

2014-01-01

Palpalis group tsetse flies are the major vectors of human African trypanosomiasis, and visually-attractive targets and traps are important tools for their control. Considerable efforts are underway to optimise these visual baits, and one factor that has been investigated is coloration. Analyses of the link between visual bait coloration and tsetse fly catches have used methods which poorly replicate sensory processing in the fly visual system, but doing so would allow the visual information driving tsetse attraction to these baits to be more fully understood, and the reflectance spectra of candidate visual baits to be more completely analysed. Following methods well established for other species, I reanalyse the numbers of tsetse flies caught at visual baits based upon the calculated photoreceptor excitations elicited by those baits. I do this for large sets of previously published data for Glossina fuscipes fuscipes (Lindh et al. (2012). PLoS Negl Trop Dis 6: e1661), G. palpalis palpalis (Green (1988). Bull Ent Res 78: 591), and G. pallidipes (Green and Flint (1986). Bull Ent Res 76: 409). Tsetse attraction to visual baits in these studies can be explained by a colour opponent mechanism to which the UV-blue photoreceptor R7y contributes positively, and both the green-yellow photoreceptor R8y, and the low-wavelength UV photoreceptor R7p, contribute negatively. A tool for calculating fly photoreceptor excitations is made available with this paper, and this will facilitate a complete and biologically authentic description of visual bait reflectance spectra that can be employed in the search for more efficacious visual baits, or the analysis of future studies of tsetse fly attraction. PMID:25473844

CsPbBr3 perovskites: Theoretical and experimental investigation on water-assisted transition from nanowire formation to degradation

NASA Astrophysics Data System (ADS)

Akbali, B.; Topcu, G.; Guner, T.; Ozcan, M.; Demir, M. M.; Sahin, H.

2018-03-01

Recent advances in colloidal synthesis methods have led to an increased research focus on halide perovskites. Due to the highly ionic crystal structure of perovskite materials, a stability issue pops up, especially against polar solvents such as water. In this study, we investigate water-driven structural evolution of CsPbBr3 by performing experiments and state-of-the-art first-principles calculations. It is seen that while an optical image shows the gradual degradation of the yellowish CsPbBr3 structure under daylight, UV illumination reveals that the degradation of crystals takes place in two steps: transition from a blue-emitting to green-emitting structure and and then a transition from a green-emitting phase to complete degradation. We found that as-synthesized CsPbBr3 nanowires (NWs) emit blue light under a 254 nm UV source. Before the degradation, first, CsPbBr3 NWs undergo a water-driven structural transition to form large bundles. It is also seen that formation of such bundles provides longer-term environmental stability. In addition theoretical calculations revealed the strength of the interaction of water molecules with ligands and surfaces of CsPbBr3 and provide an atomistic-level explanation to a transition from ligand-covered NWs to bundle formation. Further interaction of green-light-emitting bundles with water causes complete degradation of CsPbBr3 and the photoluminescence signal is entirely quenched. Moreover, Raman and x-ray-diffraction measurements revealed that completely degraded regions are decomposed to PbBr2 and CsBr precursors. We believe that the findings of this study may provide further insight into the degradation mechanism of CsPbBr3 perovskite by water.

A colour opponent model that explains tsetse fly attraction to visual baits and can be used to investigate more efficacious bait materials.

PubMed

Santer, Roger D

2014-12-01

Palpalis group tsetse flies are the major vectors of human African trypanosomiasis, and visually-attractive targets and traps are important tools for their control. Considerable efforts are underway to optimise these visual baits, and one factor that has been investigated is coloration. Analyses of the link between visual bait coloration and tsetse fly catches have used methods which poorly replicate sensory processing in the fly visual system, but doing so would allow the visual information driving tsetse attraction to these baits to be more fully understood, and the reflectance spectra of candidate visual baits to be more completely analysed. Following methods well established for other species, I reanalyse the numbers of tsetse flies caught at visual baits based upon the calculated photoreceptor excitations elicited by those baits. I do this for large sets of previously published data for Glossina fuscipes fuscipes (Lindh et al. (2012). PLoS Negl Trop Dis 6: e1661), G. palpalis palpalis (Green (1988). Bull Ent Res 78: 591), and G. pallidipes (Green and Flint (1986). Bull Ent Res 76: 409). Tsetse attraction to visual baits in these studies can be explained by a colour opponent mechanism to which the UV-blue photoreceptor R7y contributes positively, and both the green-yellow photoreceptor R8y, and the low-wavelength UV photoreceptor R7p, contribute negatively. A tool for calculating fly photoreceptor excitations is made available with this paper, and this will facilitate a complete and biologically authentic description of visual bait reflectance spectra that can be employed in the search for more efficacious visual baits, or the analysis of future studies of tsetse fly attraction.

Broadband Ground Motion Synthesis of the 1999 Turkey Earthquakes Based On: 3-D Velocity Inversion, Finite Difference Calculations and Emprical Greens Functions

NASA Astrophysics Data System (ADS)

Gok, R.; Kalafat, D.; Hutchings, L.

2003-12-01

We analyze over 3,500 aftershocks recorded by several seismic networks during the 1999 Marmara, Turkey earthquakes. The analysis provides source parameters of the aftershocks, a three-dimensional velocity structure from tomographic inversion, an input three-dimensional velocity model for a finite difference wave propagation code (E3D, Larsen 1998), and records available for use as empirical Green's functions. Ultimately our goal is to model the 1999 earthquakes from DC to 25 Hz and study fault rupture mechanics and kinematic rupture models. We performed the simultaneous inversion for hypocenter locations and three-dimensional P- and S- wave velocity structure of Marmara Region using SIMULPS14 along with 2,500 events with more than eight P- readings and an azimuthal gap of less than 180\\deg. The resolution of calculated velocity structure is better in the eastern Marmara than the western Marmara region due to the dense ray coverage. We used the obtained velocity structure as input into the finite difference algorithm and validated the model by using M < 4 earthquakes as point sources and matching long period waveforms (f < 0.5 Hz). We also obtained Mo, fc and individual station kappa values for over 500 events by performing a simultaneous inversion to fit these parameters with a Brune source model. We used the results of the source inversion to deconvolve out a Brune model from small to moderate size earthquakes (M < 4.0) to obtain empirical Green's function (EGF) for the higher frequency range of ground motion synthesis (0.5 < f > 25 Hz). We additionally obtained the source scaling relation (energy-moment) of these aftershocks. We have generated several scenarios constrained by a priori knowledge of the Izmit and Duzce rupture parameters to validate our prediction capability.

Justifying quasiparticle self-consistent schemes via gradient optimization in Baym-Kadanoff theory.

PubMed

Ismail-Beigi, Sohrab

2017-09-27

The question of which non-interacting Green's function 'best' describes an interacting many-body electronic system is both of fundamental interest as well as of practical importance in describing electronic properties of materials in a realistic manner. Here, we study this question within the framework of Baym-Kadanoff theory, an approach where one locates the stationary point of a total energy functional of the one-particle Green's function in order to find the total ground-state energy as well as all one-particle properties such as the density matrix, chemical potential, or the quasiparticle energy spectrum and quasiparticle wave functions. For the case of the Klein functional, our basic finding is that minimizing the length of the gradient of the total energy functional over non-interacting Green's functions yields a set of self-consistent equations for quasiparticles that is identical to those of the quasiparticle self-consistent GW (QSGW) (van Schilfgaarde et al 2006 Phys. Rev. Lett. 96 226402-4) approach, thereby providing an a priori justification for such an approach to electronic structure calculations. In fact, this result is general, applies to any self-energy operator, and is not restricted to any particular approximation, e.g., the GW approximation for the self-energy. The approach also shows that, when working in the basis of quasiparticle states, solving the diagonal part of the self-consistent Dyson equation is of primary importance while the off-diagonals are of secondary importance, a common observation in the electronic structure literature of self-energy calculations. Finally, numerical tests and analytical arguments show that when the Dyson equation produces multiple quasiparticle solutions corresponding to a single non-interacting state, minimizing the length of the gradient translates into choosing the solution with largest quasiparticle weight.

Ocular fundus auto-fluorescence observations at different wavelengths in patients with age-related macular degeneration and diabetic retinopathy.

PubMed

Hammer, Martin; Königsdörffer, Ekkehart; Liebermann, Christiane; Framme, Carsten; Schuch, Günter; Schweitzer, Dietrich; Strobel, Jürgen

2008-01-01

Post-translational protein modification by lipid peroxidation products or glycation is a feature of aging as well as pathologic processes in postmitotic cells at the ocular fundus exposed to an oxidative environment. The accumulation of modified proteins such as those found in lipofuscin and advanced glycation end products (AGEs) contribute greatly to the fundus auto-fluorescence. The distinct fluorescence spectra of lipofuscin and AGE enable their differentiation in multispectral fundus fluorescence imaging. A dual-centre consecutive case series of 78 pseudo-phacic patients is reported. Digital colour fundus photographs as well as auto-fluorescence images were taken from 33 patients with age related macular degeneration (AMD), 13 patients with diabetic retinopathy (RD), or from 32 cases without pathologic findings (controls). Fluorescence was excited at 475-515 nm or 476-604 nm and recorded in the emission bands 530-675 nm or 675-715 nm, respectively. Fluorescence images excited at 475-515 nm were taken by a colour CCD-camera (colour-fluorescence imaging) enabling the separate recording of green and red fluorescence. The ratio of green versus red fluorescence was calculated within a representative region of each image. The 530-675 nm auto-fluorescence in AMD patients was dominated by the red emission (green vs. red ratio, g/r = 0.861). In comparison, the fluorescence of the diabetics was green-shifted (g/r = 0.946; controls: g/r = 0.869). Atrophic areas (geographic atrophy, laser scars) showed massive hypo-fluorescence in both emission bands. Hyper-fluorescent drusen and exudates, unobtrusive in the colour fundus images as well as in the fluorescence images with emission >667 nm, showed an impressive green-shift in the colour-fluorescence image. Lipofuscin is the dominant fluorophore at long wavelengths (>675 nm or red channel of the colour fluorescence image). In the green spectral region, we found an additional emission of collagen and elastin (optic disc, sclera) as well as deposits in drusen and exudates. The green shift of the auto-fluorescence in RD may be a hint of increased AGE concentrations.

The genetics of green thorax, a new larval colour mutant, non-linked with ruby - eye locus in the malaria mosquito, Anopheles stephensi.

PubMed

Sanil, D; Shetty, N J

2009-06-01

Anopheles stephensi, an important vector of malaria continues to be distributed widely in the Indian subcontinent. The natural vigour of the species combined with its new tolerance, indeed resistance to insecticides has made it obligatory that we look for control methods involving genetic manipulation. Hence, there is an immediate need for greater understanding of the genetics of this vector species. One of the requirements for such genetic studies is the establishment of naturally occurring mutants, establishment of the genetic basis for the same and use of such mutants in the genetic transformation studies and other genetic control programme(s). This paper describes the isolation and genetic studies of a larval colour mutant, green thorax (gt), and linkage studies involving another autosomal recessive mutant ruby- eye (ru) in An. stephensi. After the initial discovery, the mutant green thorax was crossed inter se and pure homozygous stock of the mutant was established. The stock of the mutant ruby- eye, which has been maintained as a pure stock in the laboratory. Crosses were made between the wild type and mutant, green thorax to determine the mode of inheritance of green thorax. For linkage studies, crosses were made between the mutant green thorax and another autosomal recessive mutant ruby-eye. The percentage cross-over was calculated for the genes linkage relationship for gt and gt ru. Results of crosses between mutant and wild type showed that the inheritance of green thorax (gt) in An. stephensi is monofactorial in nature. The gt allele is recessive to wild type and is autosomal. The linkage studies showed no linkage between ru and gt. The mutant gt represents an excellent marker for An. stephensi as it is expressed in late III instar stage of larvae and is prominent in IV instar and pupal stages with complete penetrance and high viability. The said mutant could be easily identified without the aid of a microscope. This mutant can be used extensively to conduct basic and applied research. The mutant has been maintained in two large cages in our laboratory.

Green qualities in the neighbourhood and mental health – results from a longitudinal cohort study in Southern Sweden

PubMed Central

2012-01-01

Background Poor mental health is a major issue worldwide and causality is complex. For diseases with multifactorial background synergistic effects of person- and place- factors can potentially be preventive. Nature is suggested as one such positive place-factor. In this cohort study we tested the effect of defined green qualities (Serene, Space, Wild, Culture, Lush) in the environment at baseline on mental health at follow-up. We also studied interaction effects on mental health of those place factors and varied person factors (financial stress, living conditions, and physical activity). Methods Data on person factors were extracted from a longitudinal (years 1999/2000 and 2005) population health survey (n = 24945). The participants were geocoded and linked to data on green qualities from landscape assessments, and stored in the Geographical Information System (GIS). Crude odds ratios (OR) and 95% confidence intervals (CI) were calculated, and multivariate logistic analyses were performed. Results Mental health was not affected by access to the chosen green qualities, neither in terms of amount nor in terms of any specific quality. However, we found a reduced risk for poor mental health at follow-up among women, through a significant interaction effect between physical activity and access to the qualities Serene or Space. For men the tendencies were similar, though not significant. Regarding the other three green qualities, as well as amount of qualities, no statistically certain synergistic effects were found. Likewise, no significant synergies were detected between green qualities and the other person-factors. Only advanced exercise significantly reduced the risk for poor mental health among women, but not for men, compared to physical inactivity. Conclusions The results do not directly support the hypothesis of a preventive mental health effect by access to the green qualities. However, the additive effect of serene nature to physical activity contributed to better mental health at follow-up. This tendency was equal for both sexes, but statistically significant only for women. Objective landscape assessments may be important in detangling geographic determinants of health. This study stresses the importance of considering interaction effects when dealing with disorders of multifactorial background. PMID:22568888

Colour discrimination ellipses in choroideremia.

PubMed

Seitz, Immanuel P; Jolly, Jasleen K; Dominik Fischer, M; Simunovic, Matthew P

2018-04-01

The purpose of this study was to characterise alterations in colour discrimination in a cohort of patients with choroideremia prior to gene therapy, using a test previously validated for use in patients with retinal dystrophies. We tested 20 eyes of 10 patients with a diagnosis of choroideremia and an age-matched cohort of 10 eyes of 10 normal controls using the "Cambridge Colour Test" (CCT), in which subjects are required to distinguish the gap in a C presented in one of 4 orientations in a Stilling-type array. Colour discrimination was probed along eight axes in the CIE L*u*v* colour space, and the resulting data were plotted in the CIE 1976 chromaticity diagram and fitted with least-squares ellipses. Subsequently, we estimated the achromatic area for each subject by calculating the area of the resultant discrimination ellipse and calculated sensitivity thresholds along relevant colour confusion axes. Colour discrimination-as quantified by log 10 of the ellipse area expressed in square 1/1000th 2 units in CIE 1976-was 2.26 (range 1.82 to 2.67) for normal subjects and 3.85 (range 2.35 to 5.41) for choroideremia patients. There was a statistically significant correlation between both achromatic area and red-green colour discrimination at the CCT and BCVA, and to a lesser degree between blue colour discrimination at the CCT and BCVA. The majority of ellipses in choroideremia were aligned close to the tritan axis, and loss of sensitivity was significantly larger in the tritan direction than in the red-green. The majority of our patients demonstrated greater loss in tritan discrimination than in red-green colour discrimination using the CCT. There was a significant correlation between achromatic area and BCVA. In keeping with our current understanding of the machinery of colour vision, there was a significant correlation between BCVA and colour discrimination thresholds, which was stronger for red-green colour discrimination, than for tritan colour discrimination. We propose that this and similar tests of colour discrimination may prove to be suitable tools for assessing functional outcomes in gene therapy trials for choroideremia.

Water quantity and quality response of a green roof to storm events: Experimental and monitoring observations.

PubMed

Carpenter, Corey M G; Todorov, Dimitar; Driscoll, Charles T; Montesdeoca, Mario

2016-11-01

Syracuse, New York is working under a court-ordered agreement to limit combined sewer overflows (CSO) to local surface waters. Green infrastructure technologies, including green roofs, are being implemented as part of a CSO abatement strategy and to develop co-benefits of diminished stormwater runoff, including decreased loading of contaminants to the wastewater system and surface waters. The objective of this study was to examine the quantity and quality of discharge associated with precipitation events over an annual cycle from a green roof in Syracuse, NY and to compare measurements from this monitoring program with results from a roof irrigation experiment. Wet deposition, roof drainage, and water quality were measured for 87 storm events during an approximately 12 month period over 2011-2012. Water and nutrient (total phosphorus, total nitrogen, and dissolved organic carbon) mass balances were conducted on an event basis to evaluate retention annually and during the growing and non-growing seasons. These results are compared with a hydrological manipulation experiment, which comprised of artificially watering of the roof. Loadings of nutrients were calculated for experimental and actual storms using the concentration of nutrients and the flow data of water discharging the roof. The green roof was effective in retaining precipitation quantity from storm events (mean percent retention 96.8%, SD = 2.7%, n = 87), although the relative fraction of water retained decreased with increases in the size of the event. There was no difference in water retention of the green roof for the growing and non-growing seasons. Drainage waters exhibited high concentration of nutrients during the warm temperature growing season, particularly total nitrogen and dissolved organic carbon. Overall, nutrient losses were low because of the strong retention of water. However, there was marked variation in the retention of nutrients by season due to variations in concentrations in roof runoff. Copyright © 2016 Elsevier Ltd. All rights reserved.

Whom should we SPY? A cost analysis of laser-assisted indocyanine green angiography in prevention of mastectomy skin flap necrosis during prosthesis-based breast reconstruction.

PubMed

Kanuri, Arjun; Liu, Allen S; Guo, Lifei

2014-04-01

Skin flap necrosis is the most common complication following prosthesis-based breast reconstruction. Many studies have reported on the efficacy of laser-assisted indocyanine green angiography (SPY Elite System) in detecting flap necrosis. A cost-effectiveness analysis of laser-assisted indocyanine green angiography is lacking. The authors performed a retrospective review of all consecutive immediate postmastectomy prosthesis-based reconstructions at the Brigham and Women's Hospital over a 7-year 10-month period. The rate of mastectomy skin flap necrosis and related implant loss was determined for the entire cohort and for the subgroups of patients at increased risk for developing this complication: smokers, obese patients, and patients with large breasts. Cost of treating implant loss and skin flap necrosis was calculated based on the average treatment courses and costs at the authors' institution. The cost of the SPY was obtained from LifeCell Corp. From January of 2004 through October of 2011, 79 of 710 prosthesis-based breast reconstructions (11.1 percent) developed mastectomy skin flap necrosis requiring excision and reclosure. Performing laser-assisted indocyanine green angiography on the entire cohort would result in an additional cost of $1537.30 per case of flap necrosis prevented. If laser-assisted indocyanine green angiography was performed on only these high-risk subgroups, the cost savings per case of flap necrosis prevented is $2098.80 for smokers, $5162.30 for patients with a body mass index greater than 30, and $1892.70 for patients with mastectomy weight greater than 800 g. Laser-assisted indocyanine green angiography is not cost-effective as a preventative measure for flap necrosis if used indiscriminately on all patients undergoing prosthesis-based breast reconstructions, but it is cost-effective for high-risk patients, such as smokers, obese patients, and patients with large breasts.

Notes on the geology of Green River Valley between Green River, Wyoming, and Green River, Utah

USGS Publications Warehouse

Reeside, J.B.

1925-01-01

During July, August, and part of September, 1922, I had the privilege of accompanying a party sent out jointly by the Utah Power & Light Co. and the United States Geological Survey to gather such data as were still needed to complete a study of the power resources of Green River between Green River, Wyo., and Green River, Utah. The chief deficiency to be supplied was a continuous topographic map of the valley in sufficient detail to permit calculation of the storage capacity of any reservoir site that might be used, the stream gradient, and similar features. Maps on a satisfactory scale of a number of isolated stretches of the river had already been made by public or private agencies, and it was necessary to verify them and connect them on a uniform datum. Inasmuch as it was deemed unlikely that a dam higher than 300 feet would be constructed anywhere on the part of the river to be examined, a plane 300 feet above the water surface was made the upper limit of mapping. Over such parts of the valley as had been mapped already the progress of the party was naturally very rapid, and even where no mapping had previously been done, the 300-foot limit set upon the work and the usual narrowness of the valley combined to reduce the extent of the area to be mapped, so that the speed maintained was relatively high. Under this condition of rapid movement it was seldom possible to make more than the most cursory examination of the rocks, though occasionally circumstances permitted more or less detailed observation. The notes here recorded are therefore mostly of a rather generalized character, but as they pertain in part to localities that are difficult of access and not often visited by geologists, and that are at the same time classic in the history of American geology, I venture to to record them for whatever value they may have to other geologists.

Interplay between snake and quantum edge states in a graphene Hall bar with a pn-junction

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

Milovanović, S. P., E-mail: slavisa.milovanovic@uantwerpen.be; Peeters, F. M., E-mail: francois.peeters@uantwerpen.be; Ramezani Masir, M., E-mail: mrmphys@gmail.com

2014-09-22

The magneto- and Hall resistance of a locally gated cross shaped graphene Hall bar is calculated. The edge of the top gate is placed diagonally across the center of the Hall cross. Four-probe resistance is calculated using the Landauer-Büttiker formalism, while the transmission coefficients are obtained using the non-equilibrium Green's function approach. The interplay between transport due to edge channels and snake states is investigated. When two edge channels are occupied, we predict oscillations in the Hall and the bend resistance as function of the magnetic field, which are a consequence of quantum interference between the occupied snake states.

Sensitivity analysis of discrete structural systems: A survey

NASA Technical Reports Server (NTRS)

Adelman, H. M.; Haftka, R. T.

1984-01-01

Methods for calculating sensitivity derivatives for discrete structural systems are surveyed, primarily covering literature published during the past two decades. Methods are described for calculating derivatives of static displacements and stresses, eigenvalues and eigenvectors, transient structural response, and derivatives of optimum structural designs with respect to problem parameters. The survey is focused on publications addressed to structural analysis, but also includes a number of methods developed in nonstructural fields such as electronics, controls, and physical chemistry which are directly applicable to structural problems. Most notable among the nonstructural-based methods are the adjoint variable technique from control theory, and the Green's function and FAST methods from physical chemistry.

Photoelectron spectra and biological activity of cinnamic acid derivatives revisited

NASA Astrophysics Data System (ADS)

Novak, Igor; Klasinc, Leo; McGlynn, Sean P.

2018-01-01

The electronic structures of several derivatives of cinnamic acid have been studied by UV photoelectron spectroscopy (UPS) and Green's function quantum chemical calculations. The spectra reveal the presence of dimers in the gas phase for p-coumaric and ferulic acids. The electronic structure analysis has been related to the biological properties of these compounds through the analysis of some structure-activity relationships (SAR).

Theoretical verification of experimentally obtained conformation-dependent electronic conductance in a biphenyl molecule

NASA Astrophysics Data System (ADS)

Maiti, Santanu K.

2014-07-01

The experimentally obtained (Venkataraman et al. [1]) cosine squared relation of electronic conductance in a biphenyl molecule is verified theoretically within a tight-binding framework. Using Green's function formalism we numerically calculate two-terminal conductance as a function of relative twist angle among the molecular rings and find that the results are in good agreement with the experimental observation.

Effects of TEL Confusers on Operator Target Acquisition Performance with SAR Imagery

DTIC Science & Technology

1998-12-01

processing known as the theory of signal detection (TSD) (Gescheider, 1985; Green & Swets, 1966; Macmillan & Creelman , 1991; Wilson, 1992). A TSD...localizations (Hacker & Ratcliff, 1979; Macmillan & Creelman , 1991). The index of bias in a target localization task provides a measure of the operator’s...of correct localizations substituted for hits (Macmillan & Creelman , 1991). Receiver Operating Characteristic Curves. In addition to the calculation

Spatial frequency domain imaging using a snap-shot filter mosaic camera with multi-wavelength sensitive pixels

NASA Astrophysics Data System (ADS)

Strömberg, Tomas; Saager, Rolf B.; Kennedy, Gordon T.; Fredriksson, Ingemar; Salerud, Göran; Durkin, Anthony J.; Larsson, Marcus

2018-02-01

Spatial frequency domain imaging (SFDI) utilizes a digital light processing (DLP) projector for illuminating turbid media with sinusoidal patterns. The tissue absorption (μa) and reduced scattering coefficient (μ,s) are calculated by analyzing the modulation transfer function for at least two spatial frequencies. We evaluated different illumination strategies with a red, green and blue light emitting diodes (LED) in the DLP, while imaging with a filter mosaic camera, XiSpec, with 16 different multi-wavelength sensitive pixels in the 470-630 nm wavelength range. Data were compared to SFDI by a multispectral camera setup (MSI) consisting of four cameras with bandpass filters centered at 475, 560, 580 and 650 nm. A pointwise system for comprehensive microcirculation analysis was used (EPOS) for comparison. A 5-min arterial occlusion and release protocol on the forearm of a Caucasian male with fair skin was analyzed by fitting the absorption spectra of the chromophores HbO2, Hb and melanin to the estimatedμa. The tissue fractions of red blood cells (fRBC), melanin (/mel) and the Hb oxygenation (S02 ) were calculated at baseline, end of occlusion, early after release and late after release. EPOS results showed a decrease in S02 during the occlusion and hyperemia during release (S02 = 40%, 5%, 80% and 51%). The fRBC showed an increase during occlusion and release phases. The best MSI resemblance to the EPOS was for green LED illumination (S02 = 53%, 9%, 82%, 65%). Several illumination and analysis strategies using the XiSpec gave un-physiological results (e.g. negative S02 ). XiSpec with green LED illumination gave the expected change in /RBC , while the dynamics in S02 were less than those for EPOS. These results may be explained by the calculation of modulation using an illumination and detector setup with a broad spectral transmission bandwidth, with considerable variation in μa of included chromophores. Approaches for either reducing the effective bandwidth of the XiSpec filters or by including their characteristic in a light transport model for SFDI modulation, are proposed.

An Efficient numerical method to calculate the conductivity tensor for disordered topological matter

NASA Astrophysics Data System (ADS)

Garcia, Jose H.; Covaci, Lucian; Rappoport, Tatiana G.

2015-03-01

We propose a new efficient numerical approach to calculate the conductivity tensor in solids. We use a real-space implementation of the Kubo formalism where both diagonal and off-diagonal conductivities are treated in the same footing. We adopt a formulation of the Kubo theory that is known as Bastin formula and expand the Green's functions involved in terms of Chebyshev polynomials using the kernel polynomial method. Within this method, all the computational effort is on the calculation of the expansion coefficients. It also has the advantage of obtaining both conductivities in a single calculation step and for various values of temperature and chemical potential, capturing the topology of the band-structure. Our numerical technique is very general and is suitable for the calculation of transport properties of disordered systems. We analyze how the method's accuracy varies with the number of moments used in the expansion and illustrate our approach by calculating the transverse conductivity of different topological systems. T.G.R, J.H.G and L.C. acknowledge Brazilian agencies CNPq, FAPERJ and INCT de Nanoestruturas de Carbono, Flemish Science Foundation for financial support.

Enhanced acetyl-CoA production is associated with increased triglyceride accumulation in the green alga Chlorella desiccata

PubMed Central

Avidan, Omri; Brandis, Alexander; Rogachev, Ilana; Pick, Uri

2015-01-01

Triglycerides (TAGs) from microalgae can be utilized as food supplements and for biodiesel production, but little is known about the regulation of their biosynthesis. This work aimed to test the relationship between acetyl-CoA (Ac-CoA) levels and TAG biosynthesis in green algae under nitrogen deprivation. A novel, highly sensitive liquid chromatography mass spectrometry (LC-MS/MS) technique enabled us to determine the levels of Ac-CoA, malonyl-CoA, and unacetylated (free) CoA in green microalgae. A comparative study of three algal species that differ in TAG accumulation levels shows that during N starvation, Ac-CoA levels rapidly rise, preceding TAG accumulation in all tested species. The levels of Ac-CoA in the high TAG accumulator Chlorella desiccata exceed the levels in the moderate TAG accumulators Dunaliella tertiolecta and Chlamydomonas reinhardtii. Similarly, malonyl-CoA and free CoA levels also increase, but to lower extents. Calculated cellular concentrations of Ac-CoA are far lower than reported K mAc-CoA values of plastidic Ac-CoA carboxylase (ptACCase) in plants. Transcript level analysis of plastidic pyruvate dehydrogenase (ptPDH), the major chloroplastic Ac-CoA producer, revealed rapid induction in parallel with Ac-CoA accumulation in C. desiccata, but not in D. tertiolecta or C. reinhardtii. It is proposed that the capacity to accumulate high TAG levels in green algae critically depends on their ability to divert carbon flow towards Ac-CoA. This requires elevation of the chloroplastic CoA pool level and enhancement of Ac-CoA biosynthesis. These conclusions may have important implications for future genetic manipulation to enhance TAG biosynthesis in green algae. PMID:25922486

Solar energy conversion with hydrogen-producing cultures of the blue-green alga, Anabaena cylindrica

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

Hallenbeck, P.C.; Kochian, L.V.; Weissman, J.C.

It was demonstrated that a catalytic, sustained production of hydrogen from water can be carried out under outdoor conditions using a simple glass converter and a stationary blue-green algal culture. This process meets the basic technical requirements of biophotolysis. Improvement in rates of hydrogen production by this system could be achieved by selecting wild-type blue-green algae better suited to hydrogen production and genetically improving the organism for this task. Specific requirements for the algae are tolerance of expected temperature variations, maximum nitrogenase (or, preferably, reversible hydrogenase) activity, increases in vegetative cell photosynthesis through decreased phycocyanin degradation during nitrogen starvation, andmore » increased filament strength. One of the most significant requirements is that the cells continue exhibiting high levels of hydrogen production even when not stirred or mixed. Thermophylic, mat-forming, blue-green algae might provide suitable strains. The actual culture vessels and hydrogen collectors should be arranged horizontally with a gas space, so the carrier gas need not be pushed through a liquid head. The key constraint on a biological solar energy converter is the very low capital and operational costs allowable. A simple calculation shows that, if 3% of incident energy in the Southwest United States were converted to hydrogen, only 0.25 x 10/sup 9/ joules/m/sup 2//yr (21.9 x 10/sup 3/ Btu/ft/sup 2//yr would be produced, worth about $0.60, assuming $2.40/10/sup 9/ joules (approx. =$2.50/MBtu). In conclusion, biophotolysis using heterocystous blue-green algae has been demonstrated. The practical application of this system is dependent upon the development of low-cost converters and effective algal strains. 8 figures, 2 tables.« less

Insectivorous bats respond to vegetation complexity in urban green spaces.

PubMed

Suarez-Rubio, Marcela; Ille, Christina; Bruckner, Alexander

2018-03-01

Structural complexity is known to determine habitat quality for insectivorous bats, but how bats respond to habitat complexity in highly modified areas such as urban green spaces has been little explored. Furthermore, it is uncertain whether a recently developed measure of structural complexity is as effective as field-based surveys when applied to urban environments. We assessed whether image-derived structural complexity (MIG) was as/more effective than field-based descriptors in this environment and evaluated the response of insectivorous bats to structural complexity in urban green spaces. Bat activity and species richness were assessed with ultrasonic devices at 180 locations within green spaces in Vienna, Austria. Vegetation complexity was assessed using 17 field-based descriptors and by calculating the mean information gain (MIG) using digital images. Total bat activity and species richness decreased with increasing structural complexity of canopy cover, suggesting maneuverability and echolocation (sensorial) challenges for bat species using the canopy for flight and foraging. The negative response of functional groups to increased complexity was stronger for open-space foragers than for edge-space foragers. Nyctalus noctula , a species foraging in open space, showed a negative response to structural complexity, whereas Pipistrellus pygmaeus , an edge-space forager, was positively influenced by the number of trees. Our results show that MIG is a useful, time- and cost-effective tool to measure habitat complexity that complemented field-based descriptors. Response of insectivorous bats to structural complexity was group- and species-specific, which highlights the need for manifold management strategies (e.g., increasing or reinstating the extent of ground vegetation cover) to fulfill different species' requirements and to conserve insectivorous bats in urban green spaces.

Integrated Multiscale Modeling of Molecular Computing Devices

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

Gregory Beylkin

2012-03-23

Significant advances were made on all objectives of the research program. We have developed fast multiresolution methods for performing electronic structure calculations with emphasis on constructing efficient representations of functions and operators. We extended our approach to problems of scattering in solids, i.e. constructing fast algorithms for computing above the Fermi energy level. Part of the work was done in collaboration with Robert Harrison and George Fann at ORNL. Specific results (in part supported by this grant) are listed here and are described in greater detail. (1) We have implemented a fast algorithm to apply the Green's function for themore » free space (oscillatory) Helmholtz kernel. The algorithm maintains its speed and accuracy when the kernel is applied to functions with singularities. (2) We have developed a fast algorithm for applying periodic and quasi-periodic, oscillatory Green's functions and those with boundary conditions on simple domains. Importantly, the algorithm maintains its speed and accuracy when applied to functions with singularities. (3) We have developed a fast algorithm for obtaining and applying multiresolution representations of periodic and quasi-periodic Green's functions and Green's functions with boundary conditions on simple domains. (4) We have implemented modifications to improve the speed of adaptive multiresolution algorithms for applying operators which are represented via a Gaussian expansion. (5) We have constructed new nearly optimal quadratures for the sphere that are invariant under the icosahedral rotation group. (6) We obtained new results on approximation of functions by exponential sums and/or rational functions, one of the key methods that allows us to construct separated representations for Green's functions. (7) We developed a new fast and accurate reduction algorithm for obtaining optimal approximation of functions by exponential sums and/or their rational representations.« less

Observing Spring and Fall Phenology in a Deciduous Forest with Aerial Drone Imagery.

PubMed

Klosterman, Stephen; Richardson, Andrew D

2017-12-08

Plant phenology is a sensitive indicator of the effects of global change on terrestrial ecosystems and controls the timing of key ecosystem functions including photosynthesis and transpiration. Aerial drone imagery and photogrammetric techniques promise to advance the study of phenology by enabling the creation of distortion-free orthomosaics of plant canopies at the landscape scale, but with branch-level image resolution. The main goal of this study is to determine the leaf life cycle events corresponding to phenological metrics derived from automated analyses based on color indices calculated from drone imagery. For an oak-dominated, temperate deciduous forest in the northeastern USA, we find that plant area index (PAI) correlates with a canopy greenness index during spring green-up, and a canopy redness index during autumn senescence. Additionally, greenness and redness metrics are significantly correlated with the timing of budburst and leaf expansion on individual trees in spring. However, we note that the specific color index for individual trees must be carefully chosen if new foliage in spring appears red, rather than green-which we observed for some oak trees. In autumn, both decreasing greenness and increasing redness correlate with leaf senescence. Maximum redness indicates the beginning of leaf fall, and the progression of leaf fall correlates with decreasing redness. We also find that cooler air temperature microclimates near a forest edge bordering a wetland advance the onset of senescence. These results demonstrate the use of drones for characterizing the organismic-level variability of phenology in a forested landscape and advance our understanding of which phenophase transitions correspond to color-based metrics derived from digital image analysis.

Acute effects of ingestion of black and green tea on lipoprotein oxidation.

PubMed

Hodgson, J M; Puddey, I B; Croft, K D; Burke, V; Mori, T A; Caccetta, R A; Beilin, L J

2000-05-01

Tea has been associated with a reduced risk of cardiovascular disease. One proposed mechanism of this risk reduction involves inhibition of lipoprotein oxidation in vivo by antioxidant polyphenolic compounds derived from tea. However, controlled interventions uniformly failed to show that ingestion of tea can inhibit LDL oxidation ex vivo. The absence of effects in previous studies may be due to the isolation of LDL particles from polyphenolic compounds that are present in the aqueous phase of serum. The objective of this study was to examine the acute effects of ingestion of black and green tea on ex vivo Cu(2+)-induced lipoprotein oxidation without prior isolation of lipoproteins from serum. The acute effects of 4 hot drinks-green tea and black tea (each at a dose equivalent to 4 standard cups), water matched to the teas for caffeine content, and water-were assessed in 20 healthy men by using a Latin-square design. The lag time to lipoprotein diene formation, slope of the propagation phase of the oxidation curve, and area under the oxidation curve were calculated. Urinary concentrations of 4-O-methylgallic acid were used as a marker of uptake and metabolism of polyphenolic compounds from tea. Significant increases in urinary 4-O-methylgallic acid for black and green tea (P < 0. 0001) were observed. Caffeine did not significantly influence lipoprotein oxidation. Compared with the water control, there was a greater lag time for black tea (5.4 +/- 2.9 min; P = 0.05) that was of borderline significance and a similar trend for green tea (4.4 +/- 2.8 min; P = 0.17). Slope and area under the oxidation curve were not altered. Black tea has a mild acute effect on ex vivo lipoprotein oxidation in human serum. 2000;71:-7.

[Study on spectral detection of green plant target].

PubMed

Deng, Wei; Zhao, Chun-jiang; He, Xiong-kui; Chen, Li-ping; Zhang, Lu-da; Wu, Guang-wei; Mueller, J; Zhai, Chang-yuan

2010-08-01

Weeds grow scatteredly in fields, where many insentient objects exist, for example, withered grasses, dry twig and barriers. In order to improve the precision level of spraying, it is important to study green plant detecting technology. The present paper discussed detecting method of green plant by using spectral recognizing technology, because of the real-time feature of spectral recognition. By analyzing the reflectivity difference between each of the two sides of the "red edge" of the spectrum from plants and surrounding environment, green plant discriminat index (GPDI) is defined as the value which equals the reflectivity ratio at the wavelength of 850 nm divided by the reflectivity ratio at the wavelength of 650 nm. The original spectral data of green plants and the background were measured by using the handhold FieldSpec 3 Spectroradiometer manufactured by ASD Inc. in USA. The spectral data were processed to get the reflectivity of each measured objects and to work out the GPDI thereof as well. The classification model of green plant and its background was built up using decision tree method in order to obtain the threshold of GPDI to distinguish green plants and the background. The threshold of GPDI was chosen as 5.54. The detected object was recognized as green plant when it is GPDI>GPDITH, and vice versa. Through another test, the accuracy rate was verified which was 100% by using the threshold. The authors designed and developed the green plant detector based on single chip microcomputer (SCM) "AT89S51" and photodiode "OPT101" to realize detecting green plants from the background. After passing through two optical filters, the center wavelengths of which are 650 and 850 nm respectively, the reflected light from measured targets was detected by two photodiodes and converted into electrical signals. These analog signals were then converted to digital signals via an analog-to-digital converter (ADS7813) after being amplified by a signal amplifier (OP400). The converted digital signal of reflected light was eventually sent to the SCM (AT89S51) and was calculated and processed there. The processing results and the control signals were given out to actuate executive device to open or close the solenoid valve. The test results show that the level of detectivity of the designed detector was affected by the species, size, and density of weeds. The detectivity of broad-leaf species is higher than that of narrow-leaf species. Broad-leaf species are more easily detected than those narrow-leaf ones; the bigger the plants and the denser the leaves are, the higher the level of detectivity is.