Simulation study of interaction of pulse laser with tumor-embedded gastric tissue using finite element analysis

NASA Astrophysics Data System (ADS)

Liu, Lantian; Li, Zhifang; Li, Hui

2018-01-01

The study of interaction of laser with tumor-embedded gastric tissue is of great theoretical and practical significance for the laser diagnosis and treatment of gastric cancer in medicine. A finite element (FE)-based simulation model has been developed incorporating light propagation and heat transfer in soft tissues using a commercial FE simulation package, COMSOL Multiphysics. In this study, FE model is composed of three parts of 1) homogeneous background soft tissues submerged in water, 2) tumor tissue inclusion, and 3) different wavelengths of short pulsed laser source (450nm, 550nm, 632nm and 800nm). The laser point source is placed right under the tissues submerged in water. This laser source light propagation through the multi-layer tissues using the diffusion equation and bioheat transfer in tissues is simulated using bioheat equation for temperature change. The simulation results show that the penetration depth and light energy distribution mainly depend on the optical parameters of the different wavelengths of the tissue. In the process of biological heat transfer, the temperature of the tissue decreases exponentially with the depth and the deep tissues are almost unaffected. The results are helpful to optimize the laser source in a photoacoustic imaging system and provide some significance for the further study of the early diagnosis of gastric cancer.

Flow visualization of a rocket injector spray using gelled propellant simulants

NASA Technical Reports Server (NTRS)

Green, James M.; Rapp, Douglas C.; Roncace, James

1991-01-01

A study was conducted at NASA-Lewis to compare the atomization characteristics of gelled and nongelled propellant simulants. A gelled propellant simulant composed of water, sodium hydroxide, and an acrylic acid polymer resin (as the gelling agent) was used to simulate the viscosity of an aluminum/PR-1 metallized fuel gel. Water was used as a comparison fluid to isolate the rheological effects of the water-gel and to simulate nongelled RP-1. The water-gel was injected through the central orifice of a triplet injector element and the central post of a coaxial injector element. Nitrogen gas flowed through the outer orifices of the triplet injector element and through the annulus of the coaxial injector element and atomized the gelled and nongelled liquids. Photographs of the water-gel spray patterns at different operating conditions were compared with images obtained using water and nitrogen. A laser light was used for illumination of the sprays. The results of the testing showed that the water sprays produced a finer and more uniform atomization than the water-gel sprays. Rheological analysis of the water-gel showed poor atomization caused by high viscosity of water-gel delaying the transition to turbulence.

In situ measurement of inelastic light scattering in natural waters

NASA Astrophysics Data System (ADS)

Hu, Chuanmin

Variation in the shape of solar absorption (Fraunhofer) lines are used to study the inelastic scattering in natural waters. In addition, oxygen absorption lines near 689nm are used to study the solar stimulated chlorophyll fluorescence. The prototype Oceanic Fraunhofer Line Discriminator (OFLD) has been further developed and improved by using a well protected fiber optic - wire conductor cable and underwater electronic housing. A Monte-Carlo code and a simple code have been modified to simulate the Raman scattering, DOM fluorescence and chlorophyll fluorescence. A series of in situ measurements have been conducted in clear ocean waters in the Florida Straits, in the turbid waters of Florida Bay, and in the vicinity of a coral reef in the Dry Tortugas. By comparing the reduced data with the model simulation results, the Raman scattering coefficient, b r with an excitation wavelength at 488nm, has been verified to be 2.6 × 10-4m-1 (Marshall and Smith, 1990), as opposed to 14.4 × 10- 4m-1 (Slusher and Derr, 1975). The wavelength dependence of b r cannot be accurately determined from the data set as the reported values (λ m-4 to λ m- 5) have an insignificant effect in the natural underwater light field. Generally, in clear water, the percentage of inelastic scattered light in the total light field at /lambda < 510nm is negligible for the whole water column, and this percentage increases with depth at /lambda > 510nm. At low concentrations (a y(/lambda = 380nm) less than 0.1m-1), DOM fluorescence plays a small role in the inelastic light field. However, chlorophyll fluorescence is much stronger than Raman scattering at 685nm. In shallow waters where a sea bottom affects the ambient light field, inelastic light is negligible for the whole visible band. Since Raman scattering is now well characterized, the new OFLD can be used to measure the solar stimulated in situ fluorescence. As a result, the fluorescence signals of various bottom surfaces, from coral to macrophytes, have been measured and have been found to vary with time possibly due to nonphotochemical quenching and photoinhibition.

Study of the effect of scattering from turbid water on the polarization of a laser beam

NASA Technical Reports Server (NTRS)

Henderson, R. G.; Hovanlou, A. H.

1978-01-01

A Monte Carlo simulation method was used to determine the effect of scattering from turbid water on the polarization of a backscattered beam of laser light. The relationship between the polarization and the type and amount of suspended particulates in the water was investigated.

Atmosphere self-cleaning under humidity conditions and influence of the snowflakes and artificial light interaction for water dissociation simulated by the means of COMSOL

NASA Astrophysics Data System (ADS)

Cocean, A.; Cocean, I.; Cazacu, M. M.; Bulai, G.; Iacomi, F.; Gurlui, S.

2018-06-01

The self-cleaning of the atmosphere under humidity conditions is observed due to the change in emission intensity when chemical traces are investigated with DARLIOES - the advanced LIDAR based on space- and time-resolved RAMAN and breakdown spectroscopy in conditions of consistent humidity of atmosphere. The determination was performed during the night, in the wintertime under conditions of high humidity and snowfall, in urban area of Iasi. The change in chemical composition of the atmosphere detected was assumed to different chemical reactions involving presence of the water. Water dissociation that was registered during spectral measurements is explained by a simulation of the interaction between artificial light and snowflakes - virtually designed in a spherical geometry - in a wet air environment, using COMSOL Multiphysics software. The aim of the study is to explain the decrease or elimination of some of the toxic trace chemical compounds in the process of self-cleaning in other conditions than the sun light interaction for further finding application for air cleaning under artificial conditions.

Muon reconstruction in the Daya Bay water pools

DOE PAGES

Hackenburg, R. W.

2017-08-12

Muon reconstruction in the Daya Bay water pools would serve to verify the simulated muon fluxes and offer the possibility of studying cosmic muons in general. This reconstruction is, however, complicated by many optical obstacles and the small coverage of photomultiplier tubes (PMTs) as compared to other large water Cherenkov detectors. The PMTs’ timing information is useful only in the case of direct, unreflected Cherenkov light. This requires PMTs to be added and removed as an hypothesized muon trajectory is iteratively improved, to account for the changing effects of obstacles and direction of light. Therefore, muon reconstruction in the Dayamore » Bay water pools does not lend itself to a general fitting procedure employing smoothly varying functions with continuous derivatives. Here, we describe an algorithm which overcomes these complications. It employs the method of Least Mean Squares to determine an hypothesized trajectory from the PMTs’ charge-weighted positions. This initially hypothesized trajectory is then iteratively refined using the PMTs’ timing information. Reconstructions with simulated data reproduce the simulated trajectory to within about 5° in direction and about 45 cm in position at the pool surface, with a bias that tends to pull tracks away from the vertical by about 3°.« less

Muon reconstruction in the Daya Bay water pools

NASA Astrophysics Data System (ADS)

Hackenburg, R. W.

2017-11-01

Muon reconstruction in the Daya Bay water pools would serve to verify the simulated muon fluxes and offer the possibility of studying cosmic muons in general. This reconstruction is, however, complicated by many optical obstacles and the small coverage of photomultiplier tubes (PMTs) as compared to other large water Cherenkov detectors. The PMTs' timing information is useful only in the case of direct, unreflected Cherenkov light. This requires PMTs to be added and removed as an hypothesized muon trajectory is iteratively improved, to account for the changing effects of obstacles and direction of light. Therefore, muon reconstruction in the Daya Bay water pools does not lend itself to a general fitting procedure employing smoothly varying functions with continuous derivatives. Here, an algorithm is described which overcomes these complications. It employs the method of Least Mean Squares to determine an hypothesized trajectory from the PMTs' charge-weighted positions. This initially hypothesized trajectory is then iteratively refined using the PMTs' timing information. Reconstructions with simulated data reproduce the simulated trajectory to within about 5°in direction and about 45 cm in position at the pool surface, with a bias that tends to pull tracks away from the vertical by about 3°.

[Habitat suitability index model and minimum habitat area estimation of young Procypris rabaudi (Tchang): a simulation experiment in laboratory].

PubMed

Feng, Xian-Bin; Zhu, Yong-Jiu; Li, Xi; He, Yong-Feng; Zhao, Jian-Hua; Yang, De-Guo

2013-01-01

Under the conditions of simulated micro-habitat in laboratory, and by using experimental ecological methods, this paper evaluated the suitability index (HSI) of young Procypris rabaudi for habitat factors (substrate, light intensity and water depth). The habitat suitability models of the young P. rabaudi were established, and the minimum habitat area of the young P. rabaudi was estimated. The young P. rabaudi preferred the habitats with the gravel diameter from 10 to 15 cm, light intensity from 0.2 to 1.8 lx, and water depth from 0 to 15 cm (distance from the bottom of the tank). The three suitability index models of the substrate, light intensity and water depth for the young P. rabaudi were SI(s) = 1.7338e(-0.997x)(SI(S) is the suitability index of substrate, and x is the gravel diameter; R2 = 0.89, P < 0.01), SI(L) = 3.0121e(-1.339x)(SI(L) is the suitability index of light intensity, and x is the light intensity; R2 = 0.93, P < 0.01), and SI(W) = 2.4055e(-1.245x)(SI(W) is the suitability index of water depth, and x is the water depth; R2 = 0.97, P < 0.01), respectively. Arithmetic mean model HSI = (SI(S)+SI(L)+SI(W))/3 was most available for the estimation of the habitat suitability of young P. rabaudi. A total of seven groups of young P. rabaudi which established and maintained a relatively stable habitat area range were found. This habitat area ranged from 628 to 2015 cm2, with an average of 1114 cm2.

Special issue on the "Consortium for Advanced Simulation of Light Water Reactors Research and Development Progress"

NASA Astrophysics Data System (ADS)

Turinsky, Paul J.; Martin, William R.

2017-04-01

In this special issue of the Journal of Computational Physics, the research and development completed at the time of manuscript submission by the Consortium for Advanced Simulation of Light Water Reactors (CASL) is presented. CASL is the first of several Energy Innovation Hubs that have been created by the Department of Energy. The Hubs are modeled after the strong scientific management characteristics of the Manhattan Project and AT&T Bell Laboratories, and function as integrated research centers that combine basic and applied research with engineering to accelerate scientific discovery that addresses critical energy issues. Lifetime of a Hub is expected to be five or ten years depending upon performance, with CASL being granted a ten year lifetime.

Shift Verification and Validation

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

Pandya, Tara M.; Evans, Thomas M.; Davidson, Gregory G

2016-09-07

This documentation outlines the verification and validation of Shift for the Consortium for Advanced Simulation of Light Water Reactors (CASL). Five main types of problems were used for validation: small criticality benchmark problems; full-core reactor benchmarks for light water reactors; fixed-source coupled neutron-photon dosimetry benchmarks; depletion/burnup benchmarks; and full-core reactor performance benchmarks. We compared Shift results to measured data and other simulated Monte Carlo radiation transport code results, and found very good agreement in a variety of comparison measures. These include prediction of critical eigenvalue, radial and axial pin power distributions, rod worth, leakage spectra, and nuclide inventories over amore » burn cycle. Based on this validation of Shift, we are confident in Shift to provide reference results for CASL benchmarking.« less

Molecular mechanisms of cryoprotection in aqueous proline: light scattering and molecular dynamics simulations.

PubMed

Troitzsch, R Z; Vass, H; Hossack, W J; Martyna, G J; Crain, J

2008-04-10

Free proline amino acid is a natural cryoprotectant expressed by numerous organisms under low-temperature stress. Previous reports have suggested that complex assemblies underlie its functional properties. We investigate here aqueous proline solutions as a function of temperature using combinations of Raman spectroscopy, Rayleigh-Brillouin light scattering, and molecular dynamics simulations with the view to revealing the molecular origins of the mixtures' functionality as a cryoprotectant. The evolution of the Brillouin frequency shifts and line widths with temperature shows that, above a critical proline concentration, the water-like dynamics is suppressed and viscoelastic behavior emerges: Here, the Landau-Placzek ratio also shows a temperature-independent maximum arising from concentration fluctuations. Molecular dynamics simulations reveal that the water-water correlations in the mixtures depend much more weakly on temperature than does bulk water. By contrast, the water OH Raman bands exhibit strong red-shifts on cooling similar to those seen in ices; however, no evidence of ice lattice phonons is observed in the low-frequency spectrum. We attribute this primarily to enhanced proline-water hydrogen bonding. In general, the picture that emerges is that aqueous proline is a heterogeneous mixture on molecular length scales (characterized by significant concentration fluctuations rather than well-defined aggregates). Simulations reveal that proline also appears to suppress the normal dependence of water structure on temperature and preserves the ambient-temperature correlations even in very cold solutions. The water structure in cold proline solutions therefore appears to be similar to that at a higher effective temperature. This, coupled with the emergence of glassy dynamics offers a molecular explanation for the functional properties of proline as a cryoprotectant without the need to invoke previously proposed complex aggregates.

Constructing Black Titania with Unique Nanocage Structure for Solar Desalination.

PubMed

Zhu, Guilian; Xu, Jijian; Zhao, Wenli; Huang, Fuqiang

2016-11-23

Solar desalination driven by solar radiation as heat source is freely available, however, hindered by low efficiency. Herein, we first design and synthesize black titania with a unique nanocage structure simultaneously with light trapping effect to enhance light harvesting, well-crystallized interconnected nanograins to accelerate the heat transfer from titania to water and with opening mesopores (4-10 nm) to facilitate the permeation of water vapor. Furthermore, the coated self-floating black titania nanocages film localizes the temperature increase at the water-air interface rather than uniformly heating the bulk of the water, which ultimately results in a solar-thermal conversion efficiency as high as 70.9% under a simulated solar light with an intensity of 1 kW m -2 (1 sun). This finding should inspire new black materials with rationally designed structure for superior solar desalination performance.

The effect of water temperature and synoptic winds on the development of surface flows over narrow, elongated water bodies

NASA Technical Reports Server (NTRS)

Segal, M.; Pielke, R. A.

1985-01-01

Simulations of the thermally induced breeze involved with a relatively narrow, elongated water body is presented in conjunction with evaluations of sensible heat fluxes in a stable marine atmospheric surface layer. The effect of the water surface temperature and of the large-scale synoptic winds on the development of surface flows over the water is examined. As implied by the sensible heat flux patterns, the simulation results reveal the following trends: (1) when the synoptic flow is absent or light, the induced surface breeze is not affected noticeably by a reduction of the water surface temperature; and (2) for stronger synoptic flow, the resultant surface flow may be significantly affected by the water surface temperature.

The polarization of light in coastal and open oceans: Reflection and transmission by the air-sea interface and application for the retrieval of water optical properties

NASA Astrophysics Data System (ADS)

Foster, Robert

For decades, traditional remote sensing retrieval methods that rely solely on the spectral intensity of the water-leaving light have provided indicators of aquatic ecosystem health. With the increasing demand for new water quality indicators and improved accuracy of existing ones, the limits of traditional remote sensing approaches are becoming apparent. Use of the additional information intrinsic to the polarization state of light is therefore receiving more attention. One of the major challenges inherent in any above-surface determination of the water-leaving radiance, scalar or vector, is the removal of extraneous light which has not interacted with the water body and is therefore not useful for remote sensing of the water itself. Due in-part to the lack of a proven alternative, existing polarimeter installations have thus far assumed that such light was reflected by a flat sea surface, which can lead to large inaccuracies in the water-leaving polarization signal. This dissertation rigorously determines the full Mueller matrices for both surface-reflected skylight and upwardly transmitted light by a wind-driven ocean surface. A Monte Carlo code models the surface in 3D and performs polarized ray-tracing, while a vector radiative transfer (VRT) simulation generates polarized light distributions from which the initial Stokes vector for each ray is inferred. Matrices are computed for the observable range of surface wind speeds, viewing and solar geometries, and atmospheric aerosol loads. Radiometer field-of-view effects are also assessed. Validation of the results is achieved using comprehensive VRT simulations of the atmosphere-ocean system based on several oceanographic research cruises and specially designed polarimeters developed by the City College of New York: one submerged beneath the surface and one mounted on a research vessel. When available, additional comparisons are made at 9 km altitude with the NASA Research Scanning Polarimeter (RSP). Excellent agreement is achieved between all instrumentation, demonstrating the accuracy of the modeling approach and validating the computed Mueller matrices. Further, the results are used to demonstrate the feasibility for polarimetric retrieval of the total attenuation coefficient for Case II waters, a feat which is not possible using scalar remote sensing methods.

Accessing the capability of TRMM 3B42 V7 to simulate streamflow during extreme rain events: Case study for a Himalayan River Basin

NASA Astrophysics Data System (ADS)

Kumar, Brijesh; Lakshmi, Venkat

2018-03-01

The paper examines the quality of Tropical Rainfall Monitoring Mission (TRMM) 3B42 V7 precipitation product to simulate the streamflow using Soil Water Assessment Tool (SWAT) model for various rainfall intensities over the Himalayan region. The SWAT model has been set up for Gandak River Basin with 41 sub-basins and 420 HRUs. Five stream gauge locations are used to simulate the streamflow for a time span of 10 years (2000-2010). Daily streamflow for the simulation period is collected from Central Water Commission (CWC), India and Department of Hydrology and Meteorology (DHM), Nepal. The simulation results are found good in terms of Nash-Sutcliffe efficiency (NSE) {>}0.65, coefficient of determination (R2) {>}0.67 and Percentage Bias (PBIAS){<}15%, at each stream gauge sites. Thereafter, we have calculated the PBIAS and RMSE-observations standard deviation ratio (RSR) statistics between TRMM simulated and observed streamflow for various rainfall intensity classes, viz., light ({<}7.5 mm/d), moderate (7.5 to 35.4 mm/d), heavy (35.5 to 124.4 mm/d) and extremely heavy ({>}124.4 mm/d). The PBIAS and RSR show that TRMM simulated streamflow is suitable for moderate to heavy rainfall intensities. However, it does not perform well for light- and extremely-heavy rainfall intensities. The finding of the present work is useful for the problems related to water resources management, irrigation planning and hazard analysis over the Himalayan regions.

33 CFR 157.104 - Scale models.

Code of Federal Regulations, 2010 CFR

2010-07-01

... 33 Navigation and Navigable Waters 2 2010-07-01 2010-07-01 false Scale models. 157.104 Section 157.104 Navigation and Navigable Waters COAST GUARD, DEPARTMENT OF HOMELAND SECURITY (CONTINUED) POLLUTION... Coast Guard inspection to simulate, by a pinpoint of light, the projected direct impingement pattern on...

Exogenous indirect photoinactivation of bacterial pathogens and indicators in water with natural and synthetic photosensitizers in simulated sunlight with reduced UVB.

PubMed

Maraccini, P A; Wenk, J; Boehm, A B

2016-08-01

To investigate the UVB-independent and exogenous indirect photoinactivation of eight human health-relevant bacterial species in the presence of photosensitizers. Eight bacterial species were exposed to simulated sunlight with greatly reduced UVB light intensity in the presence of three synthetic photosensitizers and two natural photosensitizers. Inactivation curves were fit with shoulder log-linear or first-order kinetic models, from which the presence of a shoulder and magnitude of inactivation rate constants were compared. Eighty-four percent reduction in the UVB light intensity roughly matched a 72-95% reduction in the overall bacterial photoinactivation rate constants in sensitizer-free water. With the UVB light mostly reduced, the exogenous indirect mechanism contribution was evident for most bacteria and photosensitizers tested, although most prominently with the Gram-positive bacteria. Results confirm the importance of UVB light in bacterial photoinactivation and, with the reduction of the UVB light intensity, that the Gram-positive bacteria are more vulnerable to the exogenous indirect mechanism than Gram-negative bacteria. UVB is the most important range of the sunlight spectrum for bacterial photoinactivation. In aquatic environments where photosensitizers are present and there is high UVB light attenuation, UVA and visible wavelengths can contribute to exogenous indirect photoinactivation. © 2016 The Society for Applied Microbiology.

Photoacoustic design parameter optimization for deep tissue imaging by numerical simulation

NASA Astrophysics Data System (ADS)

Wang, Zhaohui; Ha, Seunghan; Kim, Kang

2012-02-01

A new design of light illumination scheme for deep tissue photoacoustic (PA) imaging, a light catcher, is proposed and evaluated by in silico simulation. Finite element (FE)-based numerical simulation model was developed for photoacoustic (PA) imaging in soft tissues. In this in silico simulation using a commercially available FE simulation package (COMSOL MultiphysicsTM, COMSOL Inc., USA), a short-pulsed laser point source (pulse length of 5 ns) was placed in water on the tissue surface. Overall, four sets of simulation models were integrated together to describe the physical principles of PA imaging. Light energy transmission through background tissues from the laser source to the target tissue or contrast agent was described by diffusion equation. The absorption of light energy and its conversion to heat by target tissue or contrast agent was modeled using bio-heat equation. The heat then causes the stress and strain change, and the resulting displacement of the target surface produces acoustic pressure. The created wide-band acoustic pressure will propagate through background tissues to the ultrasound detector, which is governed by acoustic wave equation. Both optical and acoustical parameters in soft tissues such as scattering, absorption, and attenuation are incorporated in tissue models. PA imaging performance with different design parameters of the laser source and energy delivery scheme was investigated. The laser light illumination into the deep tissues can be significantly improved by up to 134.8% increase of fluence rate by introducing a designed compact light catcher with highly reflecting inner surface surrounding the light source. The optimized parameters through this simulation will guide the design of PA system for deep tissue imaging, and help to form the base protocols of experimental evaluations in vitro and in vivo.

Modeling Water Redistribution in a Near-Surface Arid Soil

NASA Astrophysics Data System (ADS)

Luo, Y.; Ghezzehei, T. A.; Berli, M.; Dijkema, J.; Koonce, J.

2017-12-01

Desert soils cover about one third of the Earth's land surface and play an important role in the ecology and hydrology of arid environments. Despite their large extend, relatively little is known about their near-surface (top centimeters to meter) water dynamics. Recent studies by Koonce (2016) and Dijkema et al. (2017) shed light on the water dynamics of near-surface arid soil but also revealed some of the challenges to simulate the water redistribution in arid soils. The goal of this study was to improve water redistribution simulations in near-surface arid soils by employing more advanced hydraulic conductivity functions. Expanding on the work by Dijkema et al. (2017), we used a HYDRUS-1D model with different hydraulic conductivity functions to simulate water redistribution within the soil as a function of precipitation, evaporation and drainage. Model calculations were compared with measured data from the SEPHAS weighing lysimeters in Boulder City, NV. Preliminary results indicate that water redistribution simulations of near-surface arid soils can be improved by using hydraulic conductivity functions that can capture capillary, film and vapor flow, like for example the Peter-Durner-Iden (PDI) model.

Numerical Simulation of Sediment-Associated Water Quality Processes for a Mississippi Delta Lake

USDA-ARS?s Scientific Manuscript database

Three major sediment-associated processes were presented to describe the effects of sediment on lake water quality processes: the effect of suspended sediment on the light intensity for the growth of phytoplankton (PHYTO), the adsorption–desorption of nutrients by sediment, and the release of nutrie...

A Modeling Approach to Quantify the Effects of Stomatal Behavior and Mesophyll Conductance on Leaf Water Use Efficiency

PubMed Central

Moualeu-Ngangue, Dany P.; Chen, Tsu-Wei; Stützel, Hartmut

2016-01-01

Water use efficiency (WUE) is considered as a determinant of yield under stress and a component of crop drought resistance. Stomatal behavior regulates both transpiration rate and net assimilation and has been suggested to be crucial for improving crop WUE. In this work, a dynamic model was used to examine the impact of dynamic properties of stomata on WUE. The model includes sub-models of stomatal conductance dynamics, solute accumulation in the mesophyll, mesophyll water content, and water flow to the mesophyll. Using the instantaneous value of stomatal conductance, photosynthesis, and transpiration rate were simulated using a biochemical model and Penman-Monteith equation, respectively. The model was parameterized for a cucumber leaf and model outputs were evaluated using climatic data. Our simulations revealed that WUE was higher on a cloudy than a sunny day. Fast stomatal reaction to light decreased WUE during the period of increasing light (e.g., in the morning) by up to 10.2% and increased WUE during the period of decreasing light (afternoon) by up to 6.25%. Sensitivity of daily WUE to stomatal parameters and mesophyll conductance to CO2 was tested for sunny and cloudy days. Increasing mesophyll conductance to CO2 was more likely to increase WUE for all climatic conditions (up to 5.5% on the sunny day) than modifications of stomatal reaction speed to light and maximum stomatal conductance. PMID:27379150

Z-scheme Ag3PO4/POM/GO heterojunction with enhanced photocatalytic performance for degradation and water splitting.

PubMed

Liu, Guodong; Zhao, Xinfu; Zhang, Jian; Liu, Shaojie; Sha, Jingquan

2018-05-01

To develop solar light-driven photocatalysts with high activity and structural stability, Ag3PO4/POM/GO heterojunction has been successfully prepared by a facile method at room temperature. Ag3PO4/POM/GO shows remarkably enhanced activity and stability for photocatalytic degradation and H2 production from water-splitting under simulated solar light. The degradation rate of Ag3PO4/POM/GO is 1.8 times and 1.2 times those of Ag3PO4 and Ag3PO4/POMs, respectively. H2 production using Ag3PO4/POM/GO is 2.0 times that of Ag3PO4/GO. The enhanced photocatalytic performance of Ag3PO4/POM/GO is attributed to the increased surface area, electronegativity and structure stability. The Z-scheme system of Ag3PO4/POM/GO effectively promotes charge separation, resulting in enhanced photocatalytic performance under simulated solar light.

Molecular Dynamics Study of Water Flow across Multiple Layers of Pristine, Oxidized, and Mixed Regions of Graphene Oxide.

PubMed

Willcox, Jon A L; Kim, Hyung J

2017-02-28

A molecular dynamics graphene oxide model is used to shed light on commonly overlooked features of graphene oxide membranes. The model features both perpendicular and parallel water flow across multiple sheets of pristine and/or oxidized graphene to simulate "brick-and-mortar" microstructures. Additionally, regions of pristine/oxidized graphene overlap that have thus far been overlooked in the literature are explored. Differences in orientational and hydrogen-bonding features between adjacent layers of water in this mixed region are found to be even more prominent than differences between pristine and oxidized channels. This region also shows lateral water flow in equilibrium simulations and orthogonal flow in non-equilibrium simulations significantly greater than those in the oxidized region, suggesting it may play a non-negligible role in the mechanism of water flow across graphene oxide membranes.

Method and apparatus for simulating atomospheric absorption of solar energy due to water vapor and CO.sub.2

DOEpatents

Sopori, Bhushan L.

1995-01-01

A method and apparatus for improving the accuracy of the simulation of sunlight reaching the earth's surface includes a relatively small heated chamber having an optical inlet and an optical outlet, the chamber having a cavity that can be filled with a heated stream of CO.sub.2 and water vapor. A simulated beam comprising infrared and near infrared light can be directed through the chamber cavity containing the CO.sub.2 and water vapor, whereby the spectral characteristics of the beam are altered so that the output beam from the chamber contains wavelength bands that accurately replicate atmospheric absorption of solar energy due to atmospheric CO.sub.2 and moisture.

Method and apparatus for simulating atmospheric absorption of solar energy due to water vapor and CO{sub 2}

DOEpatents

Sopori, B.L.

1995-06-20

A method and apparatus for improving the accuracy of the simulation of sunlight reaching the earth`s surface includes a relatively small heated chamber having an optical inlet and an optical outlet, the chamber having a cavity that can be filled with a heated stream of CO{sub 2} and water vapor. A simulated beam comprising infrared and near infrared light can be directed through the chamber cavity containing the CO{sub 2} and water vapor, whereby the spectral characteristics of the beam are altered so that the output beam from the chamber contains wavelength bands that accurately replicate atmospheric absorption of solar energy due to atmospheric CO{sub 2} and moisture. 8 figs.

Rapid water disinfection using vertically aligned MoS 2 nanofilms and visible light

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

Liu, Chong; Kong, Desheng; Hsu, Po -Chun

Here, solar energy is readily available in most climates and can be used for water purification. However, solar disinfection of drinking water (SODIS) mostly relies on ultraviolet light, which represents only 4% of total solar energy, and this leads to slow treatment speed. The development of new materials that can harvest visible light for water disinfection, and speed up solar water purification, is therefore highly desirable. Here, we show that few-layered vertically aligned MoS 2 (FLV-MoS 2) films can be used to harvest the whole spectrum of visible light (~ 50% of solar energy) and achieve highly efficient water disinfection.more » The bandgap of MoS 2 was increased from 1.3 eV to 1.55 eV by decreasing the domain size, which allowed the FLV-MoS 2 to generate reactive oxygen species (ROS) for bacterial inactivation in water. The FLV-MoS 2 showed ~15 times better log inactivation efficiency of indicator bacteria compared to bulk MoS 2, and much faster inactivation of bacteria under both visible light and sunlight illumination compared to widely used TiO 2. Moreover, by using a 5 nm copper film on top of the FLV-MoS 2 as a catalyst to facilitate electron-hole pair separation and promote the generation of ROS, the disinfection rate was further increased 6 fold. With our approach, we achieved water disinfection of >99.999% inactivation of bacteria in 20 minutes with a small amount of material (1.6 mg/L) under simulated visible light.« less

Rapid water disinfection using vertically aligned MoS 2 nanofilms and visible light

DOE PAGES

Liu, Chong; Kong, Desheng; Hsu, Po -Chun; ...

2016-08-15

Here, solar energy is readily available in most climates and can be used for water purification. However, solar disinfection of drinking water (SODIS) mostly relies on ultraviolet light, which represents only 4% of total solar energy, and this leads to slow treatment speed. The development of new materials that can harvest visible light for water disinfection, and speed up solar water purification, is therefore highly desirable. Here, we show that few-layered vertically aligned MoS 2 (FLV-MoS 2) films can be used to harvest the whole spectrum of visible light (~ 50% of solar energy) and achieve highly efficient water disinfection.more » The bandgap of MoS 2 was increased from 1.3 eV to 1.55 eV by decreasing the domain size, which allowed the FLV-MoS 2 to generate reactive oxygen species (ROS) for bacterial inactivation in water. The FLV-MoS 2 showed ~15 times better log inactivation efficiency of indicator bacteria compared to bulk MoS 2, and much faster inactivation of bacteria under both visible light and sunlight illumination compared to widely used TiO 2. Moreover, by using a 5 nm copper film on top of the FLV-MoS 2 as a catalyst to facilitate electron-hole pair separation and promote the generation of ROS, the disinfection rate was further increased 6 fold. With our approach, we achieved water disinfection of >99.999% inactivation of bacteria in 20 minutes with a small amount of material (1.6 mg/L) under simulated visible light.« less

Solar or UVA-Visible Photocatalytic Ozonation of Water Contaminants.

PubMed

Beltrán, Fernando J; Rey, Ana

2017-07-14

An incipient advanced oxidation process, solar photocatalytic ozonation (SPO), is reviewed in this paper with the aim of clarifying the importance of this process as a more sustainable water technology to remove priority or emerging contaminants from water. The synergism between ozonation and photocatalytic oxidation is well known to increase the oxidation rate of water contaminants, but this has mainly been studied in photocatalytic ozonation systems with lamps of different radiation wavelength, especially of ultraviolet nature (UVC, UVB, UVA). Nowadays, process sustainability is critical in environmental technologies including water treatment and reuse; the application of SPO systems falls into this category, and contributes to saving energy and water. In this review, we summarized works published on photocatalytic ozonation where the radiation source is the Sun or simulated solar light, specifically, lamps emitting radiation to cover the UVA and visible light spectra. The main aspects of the review include photoreactors used and radiation sources applied, synthesis and characterization of catalysts applied, influence of main process variables (ozone, catalyst, and pollutant concentrations, light intensity), type of water, biodegradability and ecotoxicity, mechanism and kinetics, and finally catalyst activity and stability.

A bio-optical model for integration into ecosystem models for the Ligurian Sea

NASA Astrophysics Data System (ADS)

Bengil, Fethi; McKee, David; Beşiktepe, Sükrü T.; Sanjuan Calzado, Violeta; Trees, Charles

2016-12-01

A bio-optical model has been developed for the Ligurian Sea which encompasses both deep, oceanic Case 1 waters and shallow, coastal Case 2 waters. The model builds on earlier Case 1 models for the region and uses field data collected on the BP09 research cruise to establish new relationships for non-biogenic particles and CDOM. The bio-optical model reproduces in situ IOPs accurately and is used to parameterize radiative transfer simulations which demonstrate its utility for modeling underwater light levels and above surface remote sensing reflectance. Prediction of euphotic depth is found to be accurate to within ∼3.2 m (RMSE). Previously published light field models work well for deep oceanic parts of the Ligurian Sea that fit the Case 1 classification. However, they are found to significantly over-estimate euphotic depth in optically complex coastal waters where the influence of non-biogenic materials is strongest. For these coastal waters, the combination of the bio-optical model proposed here and full radiative transfer simulations provides significantly more accurate predictions of euphotic depth.

Gas-phase elemental mercury removal in a simulated combustion flue gas using TiO2 with fluorescent light.

PubMed

Cho, Jae Han; Lee, Tai Gyu; Eom, Yujin

2012-10-01

A previously proposed technology incorporating TiO2 into common household fluorescent lighting was further tested for its Hg0 removal capability in a simulated flue-gas system. The flue gas is simulated by the addition of O2, SO2, HCl, NO, H2O, and Hg0, which are frequently found in combustion facilities such as waste incinerators and coal-fired power plants. In the O2 + N2 + Hg0 environment, a Hg0 removal efficiency (etaHg) greater than 95% was achieved. Despite the tendency for etaHg to decrease with increasing SO2 and HCl, no significant drop was observed at the tested level (SO2: 5-300 ppm, HCl: 30-120 ppm(v)). In terms of NO and moisture, a significant negative effect on etaHg was observed for both factors. NO eliminated the OH radical on the TiO2 surface, whereas water vapor caused either the occupation of active sites available to Hg0 or the reduction of Hg0 by free electron. However, the negative effect of NO was minimized (etaHg > 90%) by increasing the residence time in the photochemical reactor. The moisture effect can be avoided by installing a water trap before the flue gas enters the Hg0 removal system. This paper reports a novel technology for a removal of gas-phase elemental mercury (Hg0) from a simulated flue gas using TiO2-coated glass beads under a low-cost, easily maintainable household fluorescent light instead of ultraviolet (UV) light. In this study, the effects of individual chemical species (O2, SO2, HCl, NO, and water vapor) on the performance of the proposed technology for Hg0 removal are investigated. The result suggests that the proposed technology can be highly effective, even in real combustion environments such as waste incinerators and coal-fired power plants.

Formation and characterization of simulated small droplet icing clouds

NASA Technical Reports Server (NTRS)

Ingebo, R. D.

1986-01-01

Two pneumatic two-fluid atomizers operating at high liquid and gas pressures produced water sprays that simulated small droplet clouds for use in studying icing effects on aircraft performance. To measure median volume diameter, MVD or D sub v.5, of small droplet water sprays, a scattered-light scanning instrument was developed. Drop size data agreed fairly well with calculated values at water and nitrogen pressures of 60 and 20 psig, respectively, and at water and nitrogen pressures of 250 and 100 psig, respectively, but not very well at intermediate values of water and nitrogen pressure. MVD data were correlated with D sub 0, W sub N, and W sub w, i.e., orifice diameter, nitrogen, and water flowrate, respectively, to give the expression for MVD in microns.

Comparative effect of simulated solar light, UV, UV/H2O2 and photo-Fenton treatment (UV-Vis/H2O2/Fe2+,3+) in the Escherichia coli inactivation in artificial seawater.

PubMed

Rubio, D; Nebot, E; Casanueva, J F; Pulgarin, C

2013-10-15

Innovative disinfection technologies are being studied for seawater, seeking a viable alternative to chlorination. This study proposes the use of H2O2/UV254 and photo-Fenton as disinfection treatment in seawater. The irradiations were carried out using a sunlight simulator (Suntest) and a cylindrical UV reactor. The efficiency of the treatment was compared for Milli-Q water, Leman Lake water and artificial seawater. The presence of bicarbonates and organic matter was investigated in order to evaluate possible effects on the photo-Fenton disinfection treatment. The photo-Fenton treatment, employing 1 mg L(-1) Fe(2+) and 10 mg L(-1) of H2O2, led to the fastest bacterial inactivation kinetics. Using H2O2/UV254 high disinfection rates were obtained similar to those obtained with photo-Fenton under UV254 light. In Milli-Q water, the rate of inactivation for Escherichia coli was higher than in Leman Lake water and seawater due to the lack of inorganic ions affecting negatively bacteria inactivation. The presence of bicarbonate showed scavenging of the OH(•) radicals generated in the treatment of photo-Fenton and H2O2/UV254. Despite the negative effect of inorganic ions, especially HCO3(-), the disinfection treatments with AOPs in lake water and seawater improved significantly the disinfection compared to light alone (simulated sunlight and UV254). In the treatment of photo-Fenton with simulated sunlight, dissolved organic matter had a beneficial effect by increasing the rate of inactivation. This is associated with the formation of Fe(3+)-organo photosensitive complexes leading to the formation of ROS able to inactivate bacteria. This effect was not observed in the photo-Fenton with UV254. Growth of E. coli surviving in seawater was observed 24 and 48 h after treatment with UV light. However, growth of surviving bacteria was not detected after photo-Fenton with UV254 and H2O2/UV254 treatments. This study suggests H2O2/UV254 and photo-Fenton treatments for the disinfection of seawater, in spite its high concentration of salts. Copyright © 2013 Elsevier Ltd. All rights reserved.

111 oriented gold nanoplatelets on multilayer graphene as visible light photocatalyst for overall water splitting

PubMed Central

Mateo, Diego; Esteve-Adell, Iván; Albero, Josep; Royo, Juan F. Sánchez; Primo, Ana; Garcia, Hermenegildo

2016-01-01

Development of renewable fuels from solar light appears as one of the main current challenges in energy science. A plethora of photocatalysts have been investigated to obtain hydrogen and oxygen from water and solar light in the last decades. However, the photon-to-hydrogen molecule conversion is still far from allowing real implementation of solar fuels. Here we show that 111 facet-oriented gold nanoplatelets on multilayer graphene films deposited on quartz is a highly active photocatalyst for simulated sunlight overall water splitting into hydrogen and oxygen in the absence of sacrificial electron donors, achieving hydrogen production rate of 1.2 molH2 per gcomposite per h. This photocatalytic activity arises from the gold preferential orientation and the strong gold–graphene interaction occurring in the composite system. PMID:27264495

111 oriented gold nanoplatelets on multilayer graphene as visible light photocatalyst for overall water splitting.

PubMed

Mateo, Diego; Esteve-Adell, Iván; Albero, Josep; Royo, Juan F Sánchez; Primo, Ana; Garcia, Hermenegildo

2016-06-06

Development of renewable fuels from solar light appears as one of the main current challenges in energy science. A plethora of photocatalysts have been investigated to obtain hydrogen and oxygen from water and solar light in the last decades. However, the photon-to-hydrogen molecule conversion is still far from allowing real implementation of solar fuels. Here we show that 111 facet-oriented gold nanoplatelets on multilayer graphene films deposited on quartz is a highly active photocatalyst for simulated sunlight overall water splitting into hydrogen and oxygen in the absence of sacrificial electron donors, achieving hydrogen production rate of 1.2 molH2 per gcomposite per h. This photocatalytic activity arises from the gold preferential orientation and the strong gold-graphene interaction occurring in the composite system.

Defining wet season water quality target concentrations for ecosystem conservation using empirical light attenuation models: A case study in the Great Barrier Reef (Australia).

PubMed

Petus, Caroline; Devlin, Michelle; Teixera da Silva, Eduardo; Lewis, Stephen; Waterhouse, Jane; Wenger, Amelia; Bainbridge, Zoe; Tracey, Dieter

2018-05-01

Optically active water quality components (OAC) transported by flood plumes to nearshore marine environments affect light levels. The definition of minimum OAC concentrations that must be maintained to sustain sufficient light levels for conservation of light-dependant coastal ecosystems exposed to flood waters is necessary to guide management actions in adjacent catchments. In this study, a framework for defining OAC target concentrations using empirical light attenuation models is proposed and applied to the Wet Tropics region of the Great Barrier Reef (GBR) (Queensland, Australia). This framework comprises several steps: (i) light attenuation (Kd(PAR)) profiles and OAC measurements, including coloured dissolved organic matter (CDOM), chlorophyll-a (Chl-a) and suspended particulate matter (SPM) concentrations collected in flood waters; (ii) empirical light attenuation models used to define the contribution of CDOM, Chl-a and SPM to the light attenuation, and; (iii) translation of empirical models into manageable OAC target concentrations specific for wet season conditions. Results showed that (i) Kd(PAR) variability in the Wet Tropics flood waters is driven primarily by SPM and CDOM, with a lower contribution from Chl-a (r2 = 0.5, p < 0.01), (ii) the relative contributions of each OAC varies across the different water bodies existing along flood waters and strongest Kd(PAR) predictions were achieved when the in-situ data were clustered into water bodies with similar satellite-derived colour characteristics ('brownish flood waters', r2 = 0.8, p < 0.01, 'greenish flood waters', r2 = 0.5, p < 0.01), and (iii) that Kd(PAR) simulations are sensitive to the angular distribution of the light field in the clearest flood water bodies. Empirical models developed were used to translate regional light guidelines (established for the GBR) into manageable OAC target concentrations. Preliminary results suggested that a 90th percentile SPM concentration of 11.4 mg L -1 should be maintained during the wet season to sustain favourable light levels for Wet Tropics coral reefs and seagrass ecosystems exposed to 'brownish' flood waters. Additional data will be collected to validate the light attenuation models and the wet season target concentration which in future will be incorporated into wider catchment modelling efforts to improve coastal water quality in the Wet Tropics and the GBR. Copyright © 2018 Elsevier Ltd. All rights reserved.

Monte Carlo simulation of reflection spectra of random multilayer media strongly scattering and absorbing light

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

Meglinskii, I V

2001-12-31

The reflection spectra of a multilayer random medium - the human skin - strongly scattering and absorbing light are numerically simulated. The propagation of light in the medium and the absorption spectra are simulated by the stochastic Monte Carlo method, which combines schemes for calculations of real photon trajectories and the statistical weight method. The model takes into account the inhomogeneous spatial distribution of blood vessels, water, and melanin, the degree of blood oxygenation, and the hematocrit index. The attenuation of the incident radiation caused by reflection and refraction at Fresnel boundaries of layers inside the medium is also considered.more » The simulated reflection spectra are compared with the experimental reflection spectra of the human skin. It is shown that a set of parameters that was used to describe the optical properties of skin layers and their possible variations, despite being far from complete, is nevertheless sufficient for the simulation of the reflection spectra of the human skin and their quantitative analysis. (laser applications and other topics in quantum electronics)« less

Procedure to Generate the MPACT Multigroup Library

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

Kim, Kang Seog

The CASL neutronics simulator MPACT is under development for the neutronics and T-H coupled simulation for the light water reactor. The objective of this document is focused on reviewing the current procedure to generate the MPACT multigroup library. Detailed methodologies and procedures are included in this document for further discussion to improve the MPACT multigroup library.

3D CFD simulation of Multi-phase flow separators

NASA Astrophysics Data System (ADS)

Zhu, Zhiying

2017-10-01

During the exploitation of natural gas, some water and sands are contained. It will be better to separate water and sands from natural gas to insure favourable transportation and storage. In this study, we use CFD to analyse the effect of multi-phase flow separator, whose detailed geometrical parameters are designed in advanced. VOF model and DPM are used here. From the results of CFD, we can draw a conclusion that separated effect of multi-phase flow achieves better results. No solid and water is carried out from gas outlet. CFD simulation provides an economical and efficient approach to shed more light on details of the flow behaviour.

Enhancing visible light photo-oxidation of water with TiO2 nanowire arrays via cotreatment with H2 and NH3: synergistic effects between Ti3+ and N.

PubMed

Hoang, Son; Berglund, Sean P; Hahn, Nathan T; Bard, Allen J; Mullins, C Buddie

2012-02-29

We report a synergistic effect involving hydrogenation and nitridation cotreatment of TiO(2) nanowire (NW) arrays that improves the water photo-oxidation performance under visible light illumination. The visible light (>420 nm) photocurrent of the cotreated TiO(2) is 0.16 mA/cm(2) and accounts for 41% of the total photocurrent under simulated AM 1.5 G illumination. Electron paramagnetic resonance (EPR) spectroscopy reveals that the concentration of Ti(3+) species in the bulk of the TiO(2) following hydrogenation and nitridation cotreatment is significantly higher than that of the sample treated solely with ammonia. It is believed that the interaction between the N-dopant and Ti(3+) is the key to the extension of the active spectrum and the superior visible light water photo-oxidation activity of the hydrogenation and nitridation cotreated TiO(2) NW arrays. © 2012 American Chemical Society

Photodegradation of clothianidin under simulated California rice field conditions.

PubMed

Mulligan, Rebecca A; Redman, Zachary C; Keener, Megan R; Ball, David B; Tjeerdema, Ronald S

2016-07-01

Photodegradation can be a major route of dissipation for pesticides applied to shallow rice field water, leading to diminished persistence and reducing the risk of offsite transport. The objective of this study was to characterize the aqueous-phase photodegradation of clothianidin under simulated California rice field conditions. Photodegradation of clothianidin was characterized in deionized, Sacramento River and rice field water samples. Pseudo-first-order rate constants and DT50 values in rice field water (mean k = 0.0158 min(-1) ; mean DT50 = 18.0 equivalent days) were significantly slower than in deionized water (k = 0.0167 min(-1) ; DT50 = 14.7 equivalent days) and river water (k = 0.0146 min(-1) ; DT50 = 16.6 equivalent days) samples. Quantum yield ϕc values demonstrate that approximately 1 and 0.5% of the light energy absorbed results in photochemical transformation in pure and field water respectively. Concentrations of the photodegradation product thiazolymethylurea in aqueous photolysis samples were determined using liquid chromatography-tandem mass spectrometry and accounted for ≤17% in deionized water and ≤8% in natural water. Photodegradation rates of clothianidin in flooded rice fields will be controlled by turbidity and light attenuation. Aqueous-phase photodegradation may reduce the risk of offsite transport of clothianidin from flooded rice fields (via drainage) and mitigate exposure to non-target organisms. © 2015 Society of Chemical Industry. © 2015 Society of Chemical Industry.

Rapid water disinfection using vertically aligned MoS2 nanofilms and visible light

NASA Astrophysics Data System (ADS)

Liu, Chong; Kong, Desheng; Hsu, Po-Chun; Yuan, Hongtao; Lee, Hyun-Wook; Liu, Yayuan; Wang, Haotian; Wang, Shuang; Yan, Kai; Lin, Dingchang; Maraccini, Peter A.; Parker, Kimberly M.; Boehm, Alexandria B.; Cui, Yi

2016-12-01

Solar energy is readily available in most climates and can be used for water purification. However, solar disinfection of drinking water mostly relies on ultraviolet light, which represents only 4% of the total solar energy, and this leads to a slow treatment speed. Therefore, the development of new materials that can harvest visible light for water disinfection, and so speed up solar water purification, is highly desirable. Here we show that few-layered vertically aligned MoS2 (FLV-MoS2) films can be used to harvest the whole spectrum of visible light (∼50% of solar energy) and achieve highly efficient water disinfection. The bandgap of MoS2 was increased from 1.3 to 1.55 eV by decreasing the domain size, which allowed the FLV-MoS2 to generate reactive oxygen species (ROS) for bacterial inactivation in the water. The FLV-MoS2 showed a ∼15 times better log inactivation efficiency of the indicator bacteria compared with that of bulk MoS2, and a much faster inactivation of bacteria under both visible light and sunlight illumination compared with the widely used TiO2. Moreover, by using a 5 nm copper film on top of the FLV-MoS2 as a catalyst to facilitate electron-hole pair separation and promote the generation of ROS, the disinfection rate was increased a further sixfold. With our approach, we achieved water disinfection of >99.999% inactivation of bacteria in 20 min with a small amount of material (1.6 mg l-1) under simulated visible light.

Water isotope effect on the thermostability of a polio viral RNA hairpin: A metadynamics study.

PubMed

Pathak, Arup K; Bandyopadhyay, Tusar

2017-04-28

Oral polio vaccine is considered to be the most thermolabile of all the common childhood vaccines. Despite heavy water (D 2 O) having been known for a long time to stabilise attenuated viral RNA against thermodegradation, the molecular underpinnings of its mechanism of action are still lacking. Whereas, understanding the basis of D 2 O action is an important step that might reform the way other thermolabile drugs are stored and could possibly minimize the cold chain problem. Here using a combination of parallel tempering and well-tempered metadynamics simulation in light water (H 2 O) and in D 2 O, we have fully described the free energy surface associated with the folding/unfolding of a RNA hairpin containing a non-canonical basepair motif, which is conserved within the 3'-untranslated region of poliovirus-like enteroviruses. Simulations reveal that in heavy water (D 2 O) there is a considerable increase of the stability of the folded basin as monitored through an intramolecular hydrogen bond (HB), size, shape, and flexibility of RNA structures. This translates into a higher melting temperature in D 2 O by 41 K when compared with light water (H 2 O). We have explored the hydration dynamics of the RNA, hydration shell around the RNA surface, and spatial dependence of RNA-solvent collective HB dynamics in the two water systems. Simulation in heavy water clearly showed that D 2 O strengthens the HB network in the solvent, lengthens inter-residue water-bridge lifetime, and weakens dynamical coupling of the hairpin to its solvation environment, which enhances the rigidity of solvent exposed sites of the native configurations. The results might suggest that like other added osmoprotectants, D 2 O can act as a thermostabilizer when used as a solvent.

Water isotope effect on the thermostability of a polio viral RNA hairpin: A metadynamics study

NASA Astrophysics Data System (ADS)

Pathak, Arup K.; Bandyopadhyay, Tusar

2017-04-01

Oral polio vaccine is considered to be the most thermolabile of all the common childhood vaccines. Despite heavy water (D2O) having been known for a long time to stabilise attenuated viral RNA against thermodegradation, the molecular underpinnings of its mechanism of action are still lacking. Whereas, understanding the basis of D2O action is an important step that might reform the way other thermolabile drugs are stored and could possibly minimize the cold chain problem. Here using a combination of parallel tempering and well-tempered metadynamics simulation in light water (H2O) and in D2O, we have fully described the free energy surface associated with the folding/unfolding of a RNA hairpin containing a non-canonical basepair motif, which is conserved within the 3'-untranslated region of poliovirus-like enteroviruses. Simulations reveal that in heavy water (D2O) there is a considerable increase of the stability of the folded basin as monitored through an intramolecular hydrogen bond (HB), size, shape, and flexibility of RNA structures. This translates into a higher melting temperature in D2O by 41 K when compared with light water (H2O). We have explored the hydration dynamics of the RNA, hydration shell around the RNA surface, and spatial dependence of RNA-solvent collective HB dynamics in the two water systems. Simulation in heavy water clearly showed that D2O strengthens the HB network in the solvent, lengthens inter-residue water-bridge lifetime, and weakens dynamical coupling of the hairpin to its solvation environment, which enhances the rigidity of solvent exposed sites of the native configurations. The results might suggest that like other added osmoprotectants, D2O can act as a thermostabilizer when used as a solvent.

Electrolysis Bubbles Make Waterflow Visible

NASA Technical Reports Server (NTRS)

Schultz, Donald F.

1990-01-01

Technique for visualization of three-dimensional flow uses tiny tracer bubbles of hydrogen and oxygen made by electrolysis of water. Strobe-light photography used to capture flow patterns, yielding permanent record that is measured to obtain velocities of particles. Used to measure simulated mixing turbulence in proposed gas-turbine combustor and also used in other water-table flow tests.

EFFECTS OF UV-B RADIATION ON PLANTS DURING MILD WATER STRESS. II. EFFECTS ON GROWTH, PROTEIN AND FLAVONOID CONTENT

EPA Science Inventory

Cucumber (Cucumis sativus) and radish (Raphanus sativus) were grown under several levels of water stress in a growth chamber programmed with a day-night rhythm to simulate the diurnal course of temperature and irradiation. In addition to white light, the seedlings received UV-B r...

Modular Advanced Oxidation Process Enabled by Cathodic Hydrogen Peroxide Production

PubMed Central

2015-01-01

Hydrogen peroxide (H2O2) is frequently used in combination with ultraviolet (UV) light to treat trace organic contaminants in advanced oxidation processes (AOPs). In small-scale applications, such as wellhead and point-of-entry water treatment systems, the need to maintain a stock solution of concentrated H2O2 increases the operational cost and complicates the operation of AOPs. To avoid the need for replenishing a stock solution of H2O2, a gas diffusion electrode was used to generate low concentrations of H2O2 directly in the water prior to its exposure to UV light. Following the AOP, the solution was passed through an anodic chamber to lower the solution pH and remove the residual H2O2. The effectiveness of the technology was evaluated using a suite of trace contaminants that spanned a range of reactivity with UV light and hydroxyl radical (HO•) in three different types of source waters (i.e., simulated groundwater, simulated surface water, and municipal wastewater effluent) as well as a sodium chloride solution. Irrespective of the source water, the system produced enough H2O2 to treat up to 120 L water d–1. The extent of transformation of trace organic contaminants was affected by the current density and the concentrations of HO• scavengers in the source water. The electrical energy per order (EEO) ranged from 1 to 3 kWh m–3, with the UV lamp accounting for most of the energy consumption. The gas diffusion electrode exhibited high efficiency for H2O2 production over extended periods and did not show a diminution in performance in any of the matrices. PMID:26039560

Verification of reflectance models in turbid waters

NASA Technical Reports Server (NTRS)

Tanis, F. J.; Lyzenga, D. R.

1981-01-01

Inherent optical parameters of very turbid waters were used to evaluate existing water reflectance models. Measured upwelling radiance spectra and Monte Carlo simulations of the radiative transfer equations were compared with results from models based upon two flow, quasi-single scattering, augmented isotropic scattering, and power series approximation. Each model was evaluated for three separate components of upwelling radiance: (1) direct sunlight; (2) diffuse skylight; and (3) internally reflected light. Limitations of existing water reflectance models as applied to turbid waters and possible applications to the extraction of water constituent information are discussed.

An Educational MONTE CARLO Simulation/Animation Program for the Cosmic Rays Muons and a Prototype Computer-Driven Hardware Display.

ERIC Educational Resources Information Center

Kalkanis, G.; Sarris, M. M.

1999-01-01

Describes an educational software program for the study of and detection methods for the cosmic ray muons passing through several light transparent materials (i.e., water, air, etc.). Simulates muons and Cherenkov photons' paths and interactions and visualizes/animates them on the computer screen using Monte Carlo methods/techniques which employ…

[Research on the measurement of flue-dust concentration in Vis, IR spectral region].

PubMed

Sun, Xiao-gang; Tang, Hong; Yuan, Gui-bin

2008-10-01

In the measurement of flue-dust concentration based on the transmission method, the dependent model algorithm was used to invert the flue-dust concentration in the visible, infrared and visible-infrared spectral regions respectively. By the analysis and comparison of the accuracy, linearity and sensitivity of the inversion flue-dust concentration, the optimal spectral region was determined. Meanwhile, the influence of the water droplet with different size distribution and volume concentration was simulated, and a method was proposed which has advantages of simplicity, rapidity, and suitability for on line measurement. Simulation experiments illustrate that the flue-dust concentration can be inverted very well in the visible-infrared spectral region, and it is feasible to use the ratio of the constrained light extinction method to overcome the influence of water droplet. The inverse results all remain satisfactory when 2% stochastic noise is added to the value of the light extinction.

Light scattering regimes along the optical axis in turbid media

NASA Astrophysics Data System (ADS)

Campbell, S. D.; O'Connell, A. K.; Menon, S.; Su, Q.; Grobe, R.

2006-12-01

We inject an angularly collimated laser beam into a scattering medium of a nondairy creamer-water solution and examine the distribution of the scattered light along the optical axis as a function of the source-detector spacing. The experimental and simulated data obtained from a Monte Carlo simulation suggest four regimes characterizing the transition from unscattered to diffusive light. We compare the data also with theoretical predictions based on a first-order scattering theory for regions close to the source, and with diffusionlike theories for larger source-detector spacings. We demonstrate the impact of the measurement process and the effect of the unavoidable absorption of photons by the detection fiber on the light distribution inside the medium. We show that the range of validity of these theories can depend on the experimental parameters such as the diameter and acceptance angle of the detection fiber.

A Hydraulic Model Is Compatible with Rapid Changes in Leaf Elongation under Fluctuating Evaporative Demand and Soil Water Status1[C][W][OPEN

PubMed Central

Caldeira, Cecilio F.; Bosio, Mickael; Parent, Boris; Jeanguenin, Linda; Chaumont, François; Tardieu, François

2014-01-01

Plants are constantly facing rapid changes in evaporative demand and soil water content, which affect their water status and growth. In apparent contradiction to a hydraulic hypothesis, leaf elongation rate (LER) declined in the morning and recovered upon soil rehydration considerably quicker than transpiration rate and leaf water potential (typical half-times of 30 min versus 1–2 h). The morning decline of LER began at very low light and transpiration and closely followed the stomatal opening of leaves receiving direct light, which represent a small fraction of leaf area. A simulation model in maize (Zea mays) suggests that these findings are still compatible with a hydraulic hypothesis. The small water flux linked to stomatal aperture would be sufficient to decrease water potentials of the xylem and growing tissues, thereby causing a rapid decline of simulated LER, while the simulated water potential of mature tissues declines more slowly due to a high hydraulic capacitance. The model also captured growth patterns in the evening or upon soil rehydration. Changes in plant hydraulic conductance partly counteracted those of transpiration. Root hydraulic conductivity increased continuously in the morning, consistent with the transcript abundance of Zea maize Plasma Membrane Intrinsic Protein aquaporins. Transgenic lines underproducing abscisic acid, with lower hydraulic conductivity and higher stomatal conductance, had a LER declining more rapidly than wild-type plants. Whole-genome transcriptome and phosphoproteome analyses suggested that the hydraulic processes proposed here might be associated with other rapidly occurring mechanisms. Overall, the mechanisms and model presented here may be an essential component of drought tolerance in naturally fluctuating evaporative demand and soil moisture. PMID:24420931

A web-based Tamsui River flood early-warning system with correction of real-time water stage using monitoring data

NASA Astrophysics Data System (ADS)

Liao, H. Y.; Lin, Y. J.; Chang, H. K.; Shang, R. K.; Kuo, H. C.; Lai, J. S.; Tan, Y. C.

2017-12-01

Taiwan encounters heavy rainfalls frequently. There are three to four typhoons striking Taiwan every year. To provide lead time for reducing flood damage, this study attempt to build a flood early-warning system (FEWS) in Tanshui River using time series correction techniques. The predicted rainfall is used as the input for the rainfall-runoff model. Then, the discharges calculated by the rainfall-runoff model is converted to the 1-D river routing model. The 1-D river routing model will output the simulating water stages in 487 cross sections for the future 48-hr. The downstream water stage at the estuary in 1-D river routing model is provided by storm surge simulation. Next, the water stages of 487 cross sections are corrected by time series model such as autoregressive (AR) model using real-time water stage measurements to improve the predicted accuracy. The results of simulated water stages are displayed on a web-based platform. In addition, the models can be performed remotely by any users with web browsers through a user interface. The on-line video surveillance images, real-time monitoring water stages, and rainfalls can also be shown on this platform. If the simulated water stage exceeds the embankments of Tanshui River, the alerting lights of FEWS will be flashing on the screen. This platform runs periodically and automatically to generate the simulation graphic data of flood water stages for flood disaster prevention and decision making.

Photocatalytic Removal of Microcystin-LR by Advanced WO3-Based Nanoparticles under Simulated Solar Light

PubMed Central

Zhao, Chao; Li, Dawei; Feng, Chuanping; Zhang, Zhenya; Sugiura, Norio; Yang, Yingnan

2015-01-01

A series of advanced WO3-based photocatalysts including CuO/WO3, Pd/WO3, and Pt/WO3 were synthesized for the photocatalytic removal of microcystin-LR (MC-LR) under simulated solar light. In the present study, Pt/WO3 exhibited the best performance for the photocatalytic degradation of MC-LR. The MC-LR degradation can be described by pseudo-first-order kinetic model. Chloride ion (Cl−) with proper concentration could enhance the MC-LR degradation. The presence of metal cations (Cu2+ and Fe3+) improved the photocatalytic degradation of MC-LR. This study suggests that Pt/WO3 photocatalytic oxidation under solar light is a promising option for the purification of water containing MC-LR. PMID:25884038

Large-scale testing of in-vessel debris cooling through external flooding of the reactor pressure vessel in the CYBL facility

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

Chu, T.Y.; Bentz, J.H.; Bergeron, K.D.

1994-04-01

The possibility of achieving in-vessel core retention by flooding the reactor cavity, or the ``flooded cavity``, is an accident management concept currently under consideration for advanced light water reactors (ALWR), as well as for existing light water reactors (LWR). The CYBL (CYlindrical BoiLing) facility is a facility specifically designed to perform large-scale confirmatory testing of the flooded cavity concept. CYBL has a tank-within-a-tank design; the inner 3.7 m diameter tank simulates the reactor vessel, and the outer tank simulates the reactor cavity. The energy deposition on the bottom head is simulated with an array of radiant heaters. The array canmore » deliver a tailored heat flux distribution corresponding to that resulting from core melt convection. The present paper provides a detailed description of the capabilities of the facility, as well as results of recent experiments with heat flux in the range of interest to those required for in-vessel retention in typical ALWRs. The paper concludes with a discussion of other experiments for the flooded cavity applications.« less

Diode laser for endodontic treatment: investigations of light distribution and disinfection efficiency

NASA Astrophysics Data System (ADS)

Stock, Karl; Graser, Rainer; Udart, Martin; Kienle, Alwin; Hibst, Raimund

2011-03-01

Diode lasers are used in dentistry mainly for oral surgery and disinfection of root canals in endodontic treatment. The purpose of this study was to investigate and to improve the laser induced bacteria inactivation in endodontic treatment. An essential prerequisite of the optimization of the irradiation process and device is the knowledge about the determinative factors of bacteria killing: light intensity? light dosis? temperature? In order to find out whether high power NIR laser bacterial killing is caused by a photochemical or a photothermal process we heated bacteria suspensions of E. coli K12 by a water bath and by a diode laser (940 nm) with the same temporal temperature course. Furthermore, bacteria suspensions were irradiated while the temperature was fixed by ice water. Killing of bacteria was measured via fluorescence labeling. In order to optimize the irradiation of the root canal, we designed special fiber tips with radial light emission characteristic by optical ray tracing simulations. Also, we calculated the resulting light distribution in dentin by voxelbased Monte Carlo simulations. Furthermore, we irradiated root canals of extracted human teeth using different fiber tip geometries and measured the resulting light and heat distribution by CCD-camera and thermography. Comparison of killing rates between laser and water based heating shows no significant differences, and irradiation of ice cooled suspensions has no substantial killing effect. Thus, the most important parameter for bacterial killing is the maximum temperature. Irradiation of root canals using fiber tips with radial light emission results in a more defined irradiated area with minor irradiation of the apex and higher intensity and therefore higher temperature increase on root canal surface. In conclusion, our experiments show that at least for E. coli bacteria inactivation by NIR laser irradiation is solely based on a thermal process and that heat distribution in root canal can be significantly improved by specially designed fiber tips.

A Native Threonine Coordinates Ordered Water to Tune Light-Oxygen-Voltage (LOV) Domain Photocycle Kinetics and Osmotic Stress Signaling in Trichoderma reesei ENVOY.

PubMed

Lokhandwala, Jameela; Silverman Y de la Vega, Rafael I; Hopkins, Hilary C; Britton, Collin W; Rodriguez-Iglesias, Aroa; Bogomolni, Roberto; Schmoll, Monika; Zoltowski, Brian D

2016-07-08

Light-oxygen-voltage (LOV) domain-containing proteins function as small light-activated modules capable of imparting blue light control of biological processes. Their small modular nature has made them model proteins for allosteric signal transduction and optogenetic devices. Despite intense research, key aspects of their signal transduction mechanisms and photochemistry remain poorly understood. In particular, ordered water has been identified as a possible key mediator of photocycle kinetics, despite the lack of ordered water in the LOV active site. Herein, we use recent crystal structures of a fungal LOV protein ENVOY to interrogate the role of Thr(101) in recruiting water to the flavin active site where it can function as an intrinsic base to accelerate photocycle kinetics. Kinetic and molecular dynamic simulations confirm a role in solvent recruitment to the active site and identify structural changes that correlate with solvent recruitment. In vivo analysis of T101I indicates a direct role of the Thr(101) position in mediating adaptation to osmotic stress, thereby verifying biological relevance of ordered water in LOV signaling. The combined studies identify position 101 as a mediator of both allostery and photocycle catalysis that can impact organism physiology. © 2016 by The American Society for Biochemistry and Molecular Biology, Inc.

Simulated microbe removal around finger rings using different hand sanitation methods.

PubMed

Alur, Archana A; Rane, Madhavi J; Scheetz, James P; Lorenz, Douglas J; Gettleman, Lawrence

2009-09-01

It is our opinion that the CDC and the WHO have underestimated cross-contamination under examination gloves in dental clinics while wearing jewelry, such as finger rings. These agencies only "recommend" removing jewelry, and only washing hands for 15 seconds with soap and warm water before donning gloves. This study examined several washing procedures and finger rings using simulated microbes. A gloved rubber hand manikin was made and fitted with a fresh disposable vinyl glove. Four fingers were fitted with rings or no ring, dusted with simulated microbes, and washed with a scrub brush for 5, 15, and 25 seconds under 20 degrees C and 40 degrees C water alone, or with liquid hand soap. Light levels (in lux) of fluorescent powder before and after washing were measured and delta scores calculated for changes in light levels, equivalent to effectiveness of hand washing procedures. A full-factorial, 3-factor analysis of variance (ANOVA) was used to test for differences among levels of the three study factors-time, temperature, and soap use. Tukey's post hoc honestly significant difference (HSD) test was applied to significant factors to examine pair-wise differences between factor levels. It was found that the longer the hands with rings were washed with a scrub brush under flowing water, the more simulated microbes were removed. By 25 seconds, all methods were essentially the same. Simulated microbes were more difficult to remove from the palm compared to the back of the hand. The liquid hand soap used in this study was more effective with warm water than cold. When given a choice of washing with cold water up to 15 seconds, it would be preferable not to use soap to remove simulated microbes. Qualitatively, the outer surface of finger rings were more effectively cleaned than the crevice below the ring, and the ring with a stone setting appeared to accumulate and retain simulated microbes more than other rings. The most effective treatment was washing with warm water and liquid soap. Longer times were more effective. Rings should not be worn under examination gloves due to difficulty cleaning in the crevice under the ring, and the well-known consequences of cross-contamination between the patient and the health care worker.

Transmission of light in deep sea water at the site of the ANTARES neutrino telescope

NASA Astrophysics Data System (ADS)

ANTARES Collaboration; Aguilar, J. A.; Albert, A.; Amram, P.; Anghinolfi, M.; Anton, G.; Anvar, S.; Ardellier-Desages, F. E.; Aslanides, E.; Aubert, J.-J.; Azoulay, R.; Bailey, D.; Basa, S.; Battaglieri, M.; Becherini, Y.; Bellotti, R.; Beltramelli, J.; Bertin, V.; Billault, M.; Blaes, R.; Blanc, F.; Bland, R. W.; de Botton, N.; Boulesteix, J.; Bouwhuis, M. C.; Brooks, C. B.; Bradbury, S. M.; Bruijn, R.; Brunner, J.; Bugeon, F.; Burgio, G. F.; Cafagna, F.; Calzas, A.; Caponetto, L.; Carmona, E.; Carr, J.; Cartwright, S. L.; Cecchini, S.; Charvis, P.; Circella, M.; Colnard, C.; Compère, C.; Croquette, J.; Cooper, S.; Coyle, P.; Cuneo, S.; Damy, G.; van Dantzig, R.; Deschamps, A.; de Marzo, C.; Destelle, J.-J.; de Vita, R.; Dinkelspiler, B.; Dispau, G.; Drougou, J.-F.; Druillole, F.; Engelen, J.; Favard, S.; Feinstein, F.; Ferry, S.; Festy, D.; Fopma, J.; Fuda, J.-L.; Gallone, J.-M.; Giacomelli, G.; Girard, N.; Goret, P.; Gournay, J.-F.; Hallewell, G.; Hartmann, B.; Heijboer, A.; Hello, Y.; Hernández-Rey, J. J.; Herrouin, G.; Hößl, J.; Hoffmann, C.; Hubbard, J. R.; Jaquet, M.; de Jong, M.; Jouvenot, F.; Kappes, A.; Karg, T.; Karkar, S.; Karolak, M.; Katz, U.; Keller, P.; Kooijman, P.; Korolkova, E. V.; Kouchner, A.; Kretschmer, W.; Kudryavtsev, V. A.; Lafoux, H.; Lagier, P.; Lamare, P.; Languillat, J.-C.; Laubier, L.; Legou, T.; Le Guen, Y.; Le Provost, H.; Le van Suu, A.; Lo Nigro, L.; Lo Presti, D.; Loucatos, S.; Louis, F.; Lyashuk, V.; Magnier, P.; Marcelin, M.; Margiotta, A.; Maron, C.; Massol, A.; Mazéas, F.; Mazeau, B.; Mazure, A.; McMillan, J. E.; Michel, J.-L.; Millot, C.; Milovanovic, A.; Montanet, F.; Montaruli, T.; Morel, J.-P.; Moscoso, L.; Nezri, E.; Niess, V.; Nooren, G. J.; Ogden, P.; Olivetto, C.; Palanque-Delabrouille, N.; Payre, P.; Petta, C.; Pineau, J.-P.; Poinsignon, J.; Popa, V.; Potheau, R.; Pradier, T.; Racca, C.; Randazzo, N.; Real, D.; van Rens, B. A. P.; Réthoré, F.; Ripani, M.; Roca-Blay, V.; Romeyer, A.; Rollin, J.-F.; Romita, M.; Rose, H. J.; Rostovtsev, A.; Ruppi, M.; Russo, G. V.; Sacquin, Y.; Saouter, S.; Schuller, J.-P.; Schuster, W.; Sokalski, I.; Suvorova, O.; Spooner, N. J. C.; Spurio, M.; Stolarczyk, T.; Stubert, D.; Taiuti, M.; Thompson, L. F.; Tilav, S.; Usik, A.; Valdy, P.; Vallage, B.; Vaudaine, G.; Vernin, P.; Virieux, J.; Vladimirsky, E.; de Vries, G.; de Witt Huberts, P.; de Wolf, E.; Zaborov, D.; Zaccone, H.; Zakharov, V.; Zavatarelli, S.; de Zornoza, J. D.; Zúñiga, J.

2005-02-01

The ANTARES neutrino telescope is a large photomultiplier array designed to detect neutrino-induced upward-going muons by their Cherenkov radiation. Understanding the absorption and scattering of light in the deep Mediterranean is fundamental to optimising the design and performance of the detector. This paper presents measurements of blue and UV light transmission at the ANTARES site taken between 1997 and 2000. The derived values for the scattering length and the angular distribution of particulate scattering were found to be highly correlated, and results are therefore presented in terms of an absorption length λabs and an effective scattering length λscteff. The values for blue (UV) light are found to be λabs ≃ 60(26) m, λscteff≃265(122)m, with significant (˜15%) time variability. Finally, the results of ANTARES simulations showing the effect of these water properties on the anticipated performance of the detector are presented.

Light water detritiation

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

Fedorchenko, O.A.; Aleksee, I.A.; Bondarenko, S.D.

2015-03-15

Hundreds of thousands of tons of tritiated light water have been accumulating from the enterprises of nuclear fuel cycles around the world. The Dual-Temperature Water-Hydrogen (DTWH) process looks like the only practical alternative to Combined Electrolysis and Catalytic Exchange (CECE). In DTWH power-consuming lower reflux device (electrolytic cell) is replaced by a so-called 'hot tower' (LPCE column operating at conditions which ensure relatively small value of elementary separation factor α(hot)). In the upper, cold tower, the tritium transfers from hydrogen to water while in the lower, hot tower - in the opposite direction - from water to hydrogen. The DTWHmore » process is much more complicated compared to CECE; it must be thoroughly computed and strictly controlled by an automatic control system. The use of a simulation code for DTWH is absolutely important. The simulation code EVIO-5 deals with 3 flows inside a column (hydrogen gas, water vapour and liquid water) and 2 simultaneous isotope exchange sub-processes (counter-current phase exchange and co-current catalytic exchange). EVIO-5 takes into account the strong dependence of process performance on given conditions (temperature and pressure). It calculates steady-state isotope concentration profiles considering a full set of reversible exchange reactions between different isotope modifications of water and hydrogen (12 molecular species). So the code can be used for simulation of LPCE column operation for detritiation of hydrogen and water feed, which contains H and D not only at low concentrations but above 10 at.% also. EVIO-5 code is used to model a Tritium Removal Facility with a throughput capacity of about 400 m{sup 3}/day. Simulation results show that a huge amount of wet-proofed catalyst is required (about 6000 m{sup 3}), mainly (90%) in the first stage. One reason for these large expenses (apart from a big scale of the problem itself) is the relatively high tritium separation factor in the hot tower. The introduction of some quantity of deuterium into the gaseous flow before the hot tower lowers the tritium separation factor in that column. One possible variant of deuterium introduction to the hot tower of the first stage was modelled. The decontamination capacity increases by a 2.5 factor.« less

Modeling and simulation challenges pursued by the Consortium for Advanced Simulation of Light Water Reactors (CASL)

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

Turinsky, Paul J., E-mail: turinsky@ncsu.edu; Kothe, Douglas B., E-mail: kothe@ornl.gov

The Consortium for the Advanced Simulation of Light Water Reactors (CASL), the first Energy Innovation Hub of the Department of Energy, was established in 2010 with the goal of providing modeling and simulation (M&S) capabilities that support and accelerate the improvement of nuclear energy's economic competitiveness and the reduction of spent nuclear fuel volume per unit energy, and all while assuring nuclear safety. To accomplish this requires advances in M&S capabilities in radiation transport, thermal-hydraulics, fuel performance and corrosion chemistry. To focus CASL's R&D, industry challenge problems have been defined, which equate with long standing issues of the nuclear powermore » industry that M&S can assist in addressing. To date CASL has developed a multi-physics “core simulator” based upon pin-resolved radiation transport and subchannel (within fuel assembly) thermal-hydraulics, capitalizing on the capabilities of high performance computing. CASL's fuel performance M&S capability can also be optionally integrated into the core simulator, yielding a coupled multi-physics capability with untapped predictive potential. Material models have been developed to enhance predictive capabilities of fuel clad creep and growth, along with deeper understanding of zirconium alloy clad oxidation and hydrogen pickup. Understanding of corrosion chemistry (e.g., CRUD formation) has evolved at all scales: micro, meso and macro. CFD R&D has focused on improvement in closure models for subcooled boiling and bubbly flow, and the formulation of robust numerical solution algorithms. For multiphysics integration, several iterative acceleration methods have been assessed, illuminating areas where further research is needed. Finally, uncertainty quantification and data assimilation techniques, based upon sampling approaches, have been made more feasible for practicing nuclear engineers via R&D on dimensional reduction and biased sampling. Industry adoption of CASL's evolving M&S capabilities, which is in progress, will assist in addressing long-standing and future operational and safety challenges of the nuclear industry. - Highlights: • Complexity of physics based modeling of light water reactor cores being addressed. • Capability developed to help address problems that have challenged the nuclear power industry. • Simulation capabilities that take advantage of high performance computing developed.« less

Effects of optimized root water uptake parameterization schemes on water and heat flux simulation in a maize agroecosystem

NASA Astrophysics Data System (ADS)

Cai, Fu; Ming, Huiqing; Mi, Na; Xie, Yanbing; Zhang, Yushu; Li, Rongping

2017-04-01

As root water uptake (RWU) is an important link in the water and heat exchange between plants and ambient air, improving its parameterization is key to enhancing the performance of land surface model simulations. Although different types of RWU functions have been adopted in land surface models, there is no evidence as to which scheme most applicable to maize farmland ecosystems. Based on the 2007-09 data collected at the farmland ecosystem field station in Jinzhou, the RWU function in the Common Land Model (CoLM) was optimized with scheme options in light of factors determining whether roots absorb water from a certain soil layer ( W x ) and whether the baseline cumulative root efficiency required for maximum plant transpiration ( W c ) is reached. The sensibility of the parameters of the optimization scheme was investigated, and then the effects of the optimized RWU function on water and heat flux simulation were evaluated. The results indicate that the model simulation was not sensitive to W x but was significantly impacted by W c . With the original model, soil humidity was somewhat underestimated for precipitation-free days; soil temperature was simulated with obvious interannual and seasonal differences and remarkable underestimations for the maize late-growth stage; and sensible and latent heat fluxes were overestimated and underestimated, respectively, for years with relatively less precipitation, and both were simulated with high accuracy for years with relatively more precipitation. The optimized RWU process resulted in a significant improvement of CoLM's performance in simulating soil humidity, temperature, sensible heat, and latent heat, for dry years. In conclusion, the optimized RWU scheme available for the CoLM model is applicable to the simulation of water and heat flux for maize farmland ecosystems in arid areas.

Design and verification of a cloud field optical simulator

NASA Technical Reports Server (NTRS)

Davis, J. M.; Cox, S. K.; Mckee, T. B.

1982-01-01

A concept and an apparatus designed to investigate the reflected and transmitted distributions of light from optically thick clouds is presented. The Cloud Field Optical Simulator (CFOS) is a laboratory device which utilizes an array of incandescent lamps as a source, simulated clouds made from cotton or styrofoam as targets, and an array of silicon photodiodes as detectors. The device allows virtually any source-target-detector geometry to be examined. Similitude between real clouds and their CFOS cotton or styrofoam counterparts is established by relying on a linear relationship between optical depth and the ratio of reflected to transmitted light for a semi-infinite layer. Comparisons of principal plane radiances observed by the CFOS with Monte Carlo computations for a water cloud at 0.7 microns show excellent agreement.

The laboratory environmental algae pond simulator (LEAPS) photobioreactor: Validation using outdoor pond cultures of Chlorella sorokiniana and Nannochloropsis salina

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

Huesemann, M.; Williams, P.; Edmundson, S.

A bench-scale photobioreactor system, termed Laboratory Environmental Algae Pond Simulator (LEAPS), was designed and constructed to simulate outdoor pond cultivation for a wide range of geographical locations and seasons. The LEAPS consists of six well-mixed glass column photobioreactors sparged with CO2-enriched air to maintain a set-point pH, illuminated from above by a programmable multicolor LED lighting (0 to 2,500 µmol/m2-sec), and submerged in a temperature controlled water-bath (-2 °C to >60 °C). Measured incident light intensities and water temperatures deviated from the respective light and temperature set-points on average only 2.3% and 0.9%, demonstrating accurate simulation of light and temperaturemore » conditions measured in outdoor ponds. In order to determine whether microalgae strains cultured in the LEAPS exhibit the same linear phase biomass productivity as in outdoor ponds, Chlorella sorokiniana and Nannochloropsis salina were cultured in the LEAPS bioreactors using light and temperature scripts measured previously in the respective outdoor pond studies. For Chlorella sorokiniana, the summer season biomass productivity in the LEAPS was 6.6% and 11.3% lower than in the respective outdoor ponds in Rimrock, Arizona, and Delhi, California; however, these differences were not statistically significant. For Nannochloropsis salina, the winter season biomass productivity in the LEAPS was statistically significantly higher (15.2%) during the 27 day experimental period than in the respective outdoor ponds in Tucson, Arizona. However, when considering only the first 14 days, the LEAPS biomass productivity was only 9.2% higher than in the outdoor ponds, a difference shown to be not statistically significant. Potential reasons for the positive or negative divergence in LEAPS performance, relative to outdoor ponds, are discussed. To demonstrate the utility of the LEAPS in predicting productivity, two other strains – Scenedesmus obliquus and Stichococcus minor – were evaluated using the summer season script for Rimrock, Arizona. For both strains, the productivity was around 11.6 g/m2-day at a 25 cm culture depth. In conclusion, the LEAPS is an accurate pond simulator and thus offers a reliable, fast, and cost-effective way for screening microalgae strains and operating conditions for high biomass productivity and co-product yields, using sunlight intensity and water temperature scripts generated by the Biomass Assessment Tool for any geographic location of choice where meteorological data are available.« less

Variation of linear and circular polarization persistence for changing field of view and collection area in a forward scattering environment

NASA Astrophysics Data System (ADS)

van der Laan, John D.; Wright, Jeremy B.; Scrymgeour, David A.; Kemme, Shanalyn A.; Dereniak, Eustace L.

2016-05-01

We present experimental and simulation results for a laboratory-based forward-scattering environment, where 1 μm diameter polystyrene spheres are suspended in water to model the optical scattering properties of fog. Circular polarization maintains its degree of polarization better than linear polarization as the optical thickness of the scattering environment increases. Both simulation and experiment quantify circular polarization's superior persistence, compared to that of linear polarization, and show that it is much less affected by variations in the field of view and collection area of the optical system. Our experimental environment's lateral extent was physically finite, causing a significant difference between measured and simulated degree of polarization values for incident linearly polarized light, but not for circularly polarized light. Through simulation we demonstrate that circular polarization is less susceptible to the finite environmental extent as well as the collection optic's limiting configuration.

Solar Photothermal Disinfection using Broadband-Light Absorbing Gold Nanoparticles and Carbon Black.

PubMed

Loeb, Stephanie; Li, Chuanhao; Kim, Jae-Hong

2018-01-02

A simple heat treatment, perhaps the most globally recognized point-of-use water sterilization method, is seemingly effective against all major pathogens of concern, but bulk water boiling is not energy efficient or sustainable. Herein, we present the first application of solar-to-thermal converting nanomaterials for the direct inactivation of bacteria and viruses in drinking water through the application of Au nanorods, carbon black, and Au nanorod-carbon black composite materials as light absorbers. With broad absorption bands spanning the visible and near-infrared wavelengths, at sufficient concentrations, these nanoparticles induce multiple scattering events, increasing photon absorption probability and concentrating the light within a small spatial domain, leading to localized, intense heating that inactivates microorganisms in close proximity. Moving toward practical device design, we have developed a facile silane immobilization approach to fabricate films with densely packed layers of photothermal nanomaterials. Our results suggest that upon irraditaion with simulated solar light, these films can thermally inactivate bacteria and viruses, as demonstrated through the inactivation of surrogate organisms Escherichia coli K-12, and bacteriophages MS2 and PR772.

Photodegradation of antibiotics under simulated solar radiation: implications for their environmental fate.

PubMed

Batchu, Sudha Rani; Panditi, Venkata R; O'Shea, Kevin E; Gardinali, Piero R

2014-02-01

Roxithromycin, erythromycin, ciprofloxacin and sulfamethoxazole are frequently detected antibiotics in environmental waters. Direct and indirect photolysis of these problematic antibiotics were investigated in pure and natural waters (fresh and salt water) under irradiation of different light sources. Fundamental photolysis parameters such as molar absorption coefficient, quantum yield and first order rate constants are reported and discussed. The antibiotics are degraded fastest under ultraviolet 254 nm, followed by 350 nm and simulated solar radiation. The composition of the matrix (pH, dissolved organic content, chloride ion concentration) played a significant role in the observed photodegradation. Under simulated solar radiation, ciprofloxacin and sulfamethoxazole degrade relatively quickly with half-lives of 0.5 and 1.5h, respectively. However, roxithromycin and erythromycin, macrolides are persistent (half-life: 2.4-10 days) under solar simulation. The transformation products (15) of the targeted antibiotics produced under irradiation experiments were identified using high resolution mass spectrometry and degradation pathways were proposed. © 2013.

Characterization and Modeling of a Water-based Liquid Scintillator

DOE PAGES

L. J. Bignell; Beznosko, D.; Diwan, M. V.; ...

2015-12-15

We characterised Water-based Liquid Scintillator (WbLS) using low energy protons, UV-VIS absorbance, and fluorescence spectroscopy. We have also developed and validated a simulation model that describes the behaviour of WbLS in our detector configurations for proton beam energies of 210 MeV, 475 MeV, and 2 GeV and for two WbLS compositions. These results have enabled us to estimate the light yield and ionisation quenching of WbLS, as well as to understand the influence of the wavelength shifting of Cherenkov light on our measurements. These results are relevant to the suitability of WbLS materials for next generation intensity frontier experiments.

Heat dissipation in controlled environment enclosures through the application of water screens

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

Warrington, I.J.; Halligan, E.A.; Ruby, L.C.

1994-12-31

The use of plate glass-water thermal barriers in controlled environment facilities effectively reduces the thermal load within the plant growth chamber. This allows high PPFs to be provided for plant growth and development studies, adequate simulation of daily light integrals, and simulation of peak PPFs. Further, substantial amounts of incandescent lamp supplementation can be used to achieve simulation of daylight R:FR ratios which are needed to ensure adequate stem development in some species. While the focus in this paper has been on the use of entire thermal barriers which separate the lighting enclosure from the plant growth chamber, the samemore » principles apply to the use of water jackets for cooling individual lamps (such as can occur with xenon-arc lamps). In this instance, the barrier separating the lamps from the plant chamber can be much simpler (e.g., plexiglas) as the main function of the barrier is to separate the air ventilation of the lamp enclosure from the air system within the plant growth chamber. The main advantage of water as a thermal barrier is the negligible absorption of radiation in the photosynthetically-active and near infra-red wavebands. Consequently, plate glass-water barriers typically allow transmission of approximately 90% of radiation in these regions. While ventilated double and triple glazing systems appear to be attractive alternative to water barriers from an operating standpoint, their significant absorption in the biologically-important wavebands (7 - 12 %) with each glass layer and longer-wave cut-offs (typically 2500 - 4000 nm) makes them a much less attractive alternative. The data presented demonstrate clearly that measurement of PPF alone is not an adequate representation of the radiation environment being used in a controlled environment study.« less

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

Stimpson, Shane G; Powers, Jeffrey J; Clarno, Kevin T

The Consortium for Advanced Simulation of Light Water Reactors (CASL) aims to provide high-fidelity, multiphysics simulations of light water reactors (LWRs) by coupling a variety of codes within the Virtual Environment for Reactor Analysis (VERA). One of the primary goals of CASL is to predict local cladding failure through pellet-clad interaction (PCI). This capability is currently being pursued through several different approaches, such as with Tiamat, which is a simulation tool within VERA that more tightly couples the MPACT neutron transport solver, the CTF thermal hydraulics solver, and the MOOSE-based Bison-CASL fuel performance code. However, the process in this papermore » focuses on running fuel performance calculations with Bison-CASL to predict PCI using the multicycle output data from coupled neutron transport/thermal hydraulics simulations. In recent work within CASL, Watts Bar Unit 1 has been simulated over 12 cycles using the VERA core simulator capability based on MPACT and CTF. Using the output from these simulations, Bison-CASL results can be obtained without rerunning all 12 cycles, while providing some insight into PCI indicators. Multi-cycle Bison-CASL results are presented and compared against results from the FRAPCON fuel performance code. There are several quantities of interest in considering PCI and subsequent fuel rod failures, such as the clad hoop stress and maximum centerline fuel temperature, particularly as a function of time. Bison-CASL performs single-rod simulations using representative power and temperature distributions, providing high-resolution results for these and a number of other quantities. This will assist in identifying fuels rods as potential failure locations for use in further analyses.« less

Modeling and Simulations in Photoelectrochemical Water Oxidation: From Single Level to Multiscale Modeling.

PubMed

Zhang, Xueqing; Bieberle-Hütter, Anja

2016-06-08

This review summarizes recent developments, challenges, and strategies in the field of modeling and simulations of photoelectrochemical (PEC) water oxidation. We focus on water splitting by metal-oxide semiconductors and discuss topics such as theoretical calculations of light absorption, band gap/band edge, charge transport, and electrochemical reactions at the electrode-electrolyte interface. In particular, we review the mechanisms of the oxygen evolution reaction, strategies to lower overpotential, and computational methods applied to PEC systems with particular focus on multiscale modeling. The current challenges in modeling PEC interfaces and their processes are summarized. At the end, we propose a new multiscale modeling approach to simulate the PEC interface under conditions most similar to those of experiments. This approach will contribute to identifying the limitations at PEC interfaces. Its generic nature allows its application to a number of electrochemical systems. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Modeling hydrodynamics, temperature and water quality in Henry Hagg Lake, Oregon, 2000-2003

USGS Publications Warehouse

Sullivan, Annette B.; Rounds, Stewart A.

2004-01-01

The two-dimensional model CE-QUAL-W2 was used to simulate hydrodynamics, temperature, and water quality in Henry Hagg Lake, Oregon, for the years 2000 through 2003. Input data included lake bathymetry, meteorologic conditions, tributary inflows, tributary temperature and water quality, and lake outflows. Calibrated constituents included lake hydrodynamics, water temperature, orthophosphate, total phosphorus, ammonia, algae, chlorophyll a, zooplankton, and dissolved oxygen. Other simulated constituents included nitrate, dissolved and particulate organic matter, dissolved solids, and suspended sediment. Two algal groups (blue-green algae, and all other algae) were included in the model to simulate the lakes algal communities. Measured lake stage data were used to calibrate the lakes water balance; calibration of water temperature and water quality relied upon vertical profile data taken in the deepest part of the lake near the dam. The model initially was calibrated with data from 200001 and tested with data from 200203. Sensitivity tests were performed to examine the response of the model to specific parameters and coefficients, including the light-extinction coefficient, wind speed, tributary inflows of phosphorus, nitrogen and organic matter, sediment oxygen demand, algal growth rates, and zooplankton feeding preference factors.

Research on characteristics of forward scattering light based on Monte Carlo simulation

NASA Astrophysics Data System (ADS)

Ding, Kun; Jin, Wei-qi

2008-03-01

In ocean inspection, laser system has the advantages of high precision, high efficiency and being enacted on the temperature or salinity of seawater. It has been developed greatly in recent years. But it is not yet a mature inspection technique because of the complicacy of oceanic channel and water-scattering. There are many problems to be resolved. In this paper, the work principle and of general developing situation of ocean lidar techniques are introduced first. The author points out that the intense scattering and absorbing acting on light by water is the bottleneck to limit the development of ocean lidar. The Monet Carlo method is adopted finally to be a basal way of study in this paper after discussing several method of studying the light transmitting in seawater. Based on the theory of photon transmitted in the seawater and the particularity of underwater target detecting, we have studied the characters of laser scattering on underwater target surface and spatial and temporal characters of forward scattering. Starting from the particularity of underwater target detecting, a new model to describe the characters of laser scattering is presented. Based on this model, we developed the fast arithmetic, which enhanced the computation speed greatly and the precision was also assured. It made detecting real-time realizable. Basing on the Monte Carlo simulation and starting from the theory of photon transmitted in the seawater, we studied how the parameters of water quality and other systemic parameters affect the light forward scattering through seawater at spatial and temporal region and provided the theoretical sustentation of enhancing the SNR and operational distance.

Airborne Lidar Bathymetry Beam Diagnostics Using an Underwater Optical Detector Array

NASA Astrophysics Data System (ADS)

Birkebak, Matthew

The surface geometry of air-water interface is considered as an important factor affecting the performance of Airborne Lidar Bathymetry (ALB), and laser optical communication through the water surface. ALB is a remote sensing technique that utilizes a pulsed green (532 nm) laser mounted to an airborne platform in order to measure water depth. The water surface (i.e., air-water interface) can distort the light beam's ray-path geometry and add uncertainty to range calculation measurements. Previous studies on light refracting through a complex water surface are heavily dependent on theoretical models and simulations. In addition, only very limited work has been conducted to validate these theoretical models using experiments under well-controlled laboratory conditions. The goal of the study is to establish a clear relationship between water-surface conditions and the uncertainty of ALB measurement. This relationship will be determined by conducting more extensive empirical measurements to characterize the changes in beam slant path associated with a variety of short wavelength wind ripples, typically seen in ALB survey conditions. This study will focus on the effects of capillary and gravity-capillary waves with surface wavelengths smaller than the diameter of the laser beam on the water surface. Simulations using Monte-Carlo techniques of the ALB beam footprints and the environmental conditions were used to analyze the ray-path geometries. Based on the simulation results, laboratory experiments were then designed to test key parameters that have the greatest contribution on beam path and direction through the water. The laser beam dispersion experiments were conducted in well-controlled laboratory setting at the University of New Hampshire's Wave and Tow tank. The spatial elevations of the water surface were independently measured using a high resolution wave staff. The refracted laser beam footprint was measured using an underwater optical detector consisting of a 6x6 array of photodiodes. Image processing techniques were used to estimate the laser's incidence angle intercepted by the detector array. Beam patterns that resulted from intersection between the laser beam light field underwater and the detector array were modeled and used to calculate changes in position and orientation for water surface conditions containing wavelengths less than 0.1m. Finally, a total horizontal uncertainty (THU) model was estimated, which can be implemented in total propagated uncertainty (TPU) models for reporting as a measure of the quality of each measurement. The wave refraction error for various sea states and beam characteristics was successfully quantified using both experimental and analytical techniques.

SIMULATION OF DISSOLVED OXYGEN PROFILES IN A TRANSPARENT, DIMICTIC LAKE

EPA Science Inventory

Thrush Lake is a small, highly transparent lake in northeastern Minnesota. rom 1986 to 1991, vertical profiles of water temperature, dissolved oxygen, chlorophyll a concentration, underwater light irradiance, and Secchi depths were measured at monthly intervals during the ice-fre...

A Regional Model for Malaria Vector Developmental Habitats Evaluated Using Explicit, Pond-Resolving Surface Hydrology Simulations.

PubMed

Asare, Ernest Ohene; Tompkins, Adrian Mark; Bomblies, Arne

2016-01-01

Dynamical malaria models can relate precipitation to the availability of vector breeding sites using simple models of surface hydrology. Here, a revised scheme is developed for the VECTRI malaria model, which is evaluated alongside the default scheme using a two year simulation by HYDREMATS, a 10 metre resolution, village-scale model that explicitly simulates individual ponds. Despite the simplicity of the two VECTRI surface hydrology parametrization schemes, they can reproduce the sub-seasonal evolution of fractional water coverage. Calibration of the model parameters is required to simulate the mean pond fraction correctly. The default VECTRI model tended to overestimate water fraction in periods subject to light rainfall events and underestimate it during periods of intense rainfall. This systematic error was improved in the revised scheme by including the a parametrization for surface run-off, such that light rainfall below the initial abstraction threshold does not contribute to ponds. After calibration of the pond model, the VECTRI model was able to simulate vector densities that compared well to the detailed agent based model contained in HYDREMATS without further parameter adjustment. Substituting local rain-gauge data with satellite-retrieved precipitation gave a reasonable approximation, raising the prospects for regional malaria simulations even in data sparse regions. However, further improvements could be made if a method can be derived to calibrate the key hydrology parameters of the pond model in each grid cell location, possibly also incorporating slope and soil texture.

A Regional Model for Malaria Vector Developmental Habitats Evaluated Using Explicit, Pond-Resolving Surface Hydrology Simulations

PubMed Central

Asare, Ernest Ohene; Tompkins, Adrian Mark; Bomblies, Arne

2016-01-01

Dynamical malaria models can relate precipitation to the availability of vector breeding sites using simple models of surface hydrology. Here, a revised scheme is developed for the VECTRI malaria model, which is evaluated alongside the default scheme using a two year simulation by HYDREMATS, a 10 metre resolution, village-scale model that explicitly simulates individual ponds. Despite the simplicity of the two VECTRI surface hydrology parametrization schemes, they can reproduce the sub-seasonal evolution of fractional water coverage. Calibration of the model parameters is required to simulate the mean pond fraction correctly. The default VECTRI model tended to overestimate water fraction in periods subject to light rainfall events and underestimate it during periods of intense rainfall. This systematic error was improved in the revised scheme by including the a parametrization for surface run-off, such that light rainfall below the initial abstraction threshold does not contribute to ponds. After calibration of the pond model, the VECTRI model was able to simulate vector densities that compared well to the detailed agent based model contained in HYDREMATS without further parameter adjustment. Substituting local rain-gauge data with satellite-retrieved precipitation gave a reasonable approximation, raising the prospects for regional malaria simulations even in data sparse regions. However, further improvements could be made if a method can be derived to calibrate the key hydrology parameters of the pond model in each grid cell location, possibly also incorporating slope and soil texture. PMID:27003834

Modelling the vertical distribution of Prochlorococcus and Synechococcus in the North Pacific Subtropical Ocean.

PubMed

Rabouille, Sophie; Edwards, Christopher A; Zehr, Jonathan P

2007-10-01

A simple model was developed to examine the vertical distribution of Prochlorococcus and Synechococcus ecotypes in the water column, based on their adaptation to light intensity. Model simulations were compared with a 14-year time series of Prochlorococcus and Synechococcus cell abundances at Station ALOHA in the North Pacific Subtropical Gyre. Data were analysed to examine spatial and temporal patterns in abundances and their ranges of variability in the euphotic zone, the surface mixed layer and the layer in the euphotic zone but below the base of the mixed layer. Model simulations show that the apparent occupation of the whole euphotic zone by a genus can be the result of a co-occurrence of different ecotypes that segregate vertically. The segregation of ecotypes can result simply from differences in light response. A sensitivity analysis of the model, performed on the parameter alpha (initial slope of the light-response curve) and the DIN concentration in the upper water column, demonstrates that the model successfully reproduces the observed range of vertical distributions. Results support the idea that intermittent mixing events may have important ecological and geochemical impacts on the phytoplankton community at Station ALOHA.

Molecular dynamics studies of pathways of water movement in cyanobacterial photosystem II

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

Gabdulkhakov, A. G., E-mail: azat@vega.protres.ru; Kljashtorny, V. G.; Dontsova, M. V.

2015-01-15

Photosystem II (PSII) catalyzes the light-induced generation of oxygen from water. The oxygen-evolving complex is buried deep in the protein on the lumenal side of PSII, and water molecules need to pass through protein subunits to reach the active site—the manganese cluster. Previous studies on the elucidation of water channels in PSII were based on an analysis of the cavities in the static PSII structure determined by X-ray diffraction. In the present study, we perform molecular dynamics simulations of the water movement in the transport system of PSII.

Modeling of complex wear behavior associated with grid-to-rod fretting in light water nuclear reactors

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

Blau, P. J.; Qu, J.; Lu, R.

One significant concern in the operation of light water nuclear reactors is the fretting wear damage to fuel cladding from flow-induced vibrations. For years, research on the grid-to-rod fretting (GTRF) phenomena has been underway in countries where nuclear power production is a significant industry. Under the auspices of the U.S. Department of Energy Consortium for Advanced Simulation of Light Water Reactors, an effort has been underway to develop and test an engineering wear model for zirconium alloy fuel rod cladding against a supporting grid. Furthermore, the multi-stage model accounts for oxide layers and wear rate transitions. Our paper describes themore » basis for a GTRF engineering wear model, the physical significance of the wear factor it contains, and recent progress toward model validation based on a fretting wear testing apparatus that accounts for coolant temperature, pressure, and the presence of periodic impacts (gaps) in grid/rod contact.« less

Modeling of complex wear behavior associated with grid-to-rod fretting in light water nuclear reactors

DOE PAGES

Blau, P. J.; Qu, J.; Lu, R.

2016-09-21

One significant concern in the operation of light water nuclear reactors is the fretting wear damage to fuel cladding from flow-induced vibrations. For years, research on the grid-to-rod fretting (GTRF) phenomena has been underway in countries where nuclear power production is a significant industry. Under the auspices of the U.S. Department of Energy Consortium for Advanced Simulation of Light Water Reactors, an effort has been underway to develop and test an engineering wear model for zirconium alloy fuel rod cladding against a supporting grid. Furthermore, the multi-stage model accounts for oxide layers and wear rate transitions. Our paper describes themore » basis for a GTRF engineering wear model, the physical significance of the wear factor it contains, and recent progress toward model validation based on a fretting wear testing apparatus that accounts for coolant temperature, pressure, and the presence of periodic impacts (gaps) in grid/rod contact.« less

Oak Ridge National Laboratory Support of Non-light Water Reactor Technologies: Capabilities Assessment for NRC Near-term Implementation Action Plans for Non-light Water Reactors

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

Belles, Randy; Jain, Prashant K.; Powers, Jeffrey J.

The Oak Ridge National Laboratory (ORNL) has a rich history of support for light water reactor (LWR) and non-LWR technologies. The ORNL history involves operation of 13 reactors at ORNL including the graphite reactor dating back to World War II, two aqueous homogeneous reactors, two molten salt reactors (MSRs), a fast-burst health physics reactor, and seven LWRs. Operation of the High Flux Isotope Reactor (HFIR) has been ongoing since 1965. Expertise exists amongst the ORNL staff to provide non-LWR training; support evaluation of non-LWR licensing and safety issues; perform modeling and simulation using advanced computational tools; run laboratory experiments usingmore » equipment such as the liquid salt component test facility; and perform in-depth fuel performance and thermal-hydraulic technology reviews using a vast suite of computer codes and tools. Summaries of this expertise are included in this paper.« less

Estimated effects on water quality of Lake Houston from interbasin transfer of water from the Trinity River, Texas

USGS Publications Warehouse

Liscum, Fred; East, Jeffery W.

2000-01-01

The City of Houston is considering the transfer of water from the Trinity River to Lake Houston (on the San Jacinto River) to alleviate concerns about adequate water supplies for future water demands. The U.S. Geological Survey, in cooperation with the City of Houston, conducted a study to estimate the effects on the water quality of Lake Houston from the transfer of Trinity River water. A water-quality model, CE–QUAL–W2, was used to simulate six water-quality properties and constituents for scenarios of interbasin transfer of Trinity River water. Three scenarios involved the transferred Trinity River water augmenting streamflow in the East Fork of Lake Houston, and three scenarios involved the transferred water replacing streamflow from the West Fork of the San Jacinto River.The estimated effects on Lake Houston were determined by comparing volume-weighted daily mean water temperature, phosphorus, ammonia nitrogen, nitrite plus nitrate nitrogen, algal biomass, and dissolved oxygen simulated for each of the transfer scenarios to simulations for a base dataset. The effects of the interbasin transfer on Lake Houston do not appear to be detrimental to water temperature, ammonia nitrogen, or dissolved oxygen. Phosphorus and nitrite plus nitrate nitrogen showed fairly large changes when Trinity River water was transferred to replace West Fork San Jacinto River streamflow. Algal biomass showed large decreases when Trinity River water was transferred to augment East Fork Lake Houston streamflow and large increases when Trinity River water was transferred to replace West Fork San Jacinto River streamflow. Regardless of the scenario simulated, the model indicated that light was the limiting factor for algal biomass growth.

Design and verification of a cloud field optical simulator

NASA Technical Reports Server (NTRS)

Davis, J. M.; Cox, S. K.; Mckee, T. B.

1983-01-01

A concept and an apparatus designed to investigate the reflected and transmitted distributions of light from optically thick clouds is presented. The Cloud Field Optical Simulator (CFOS) is a laboratory device which utilizes an array of incandescent lamps as a source, simulated clouds made from cotton or styrofoam as targets, and an array of silicon photodiodes as detectors. The device allows virtually any source-target-detector geometry to be examined. Similitude between real clouds and their CFOS cotton or styrofoam counterparts is established by relying on a linear relationship between optical depth and the ratio of reflected to transmitted light for a semiinfinite layer. Comparisons of principal plane radiances observed by the CFOS with Monte Carlo computations for a water cloud at 0.7 micron show excellent agreement. Initial applications of the CFOS are discussed.

Isotopic signature of atmospheric xenon released from light water reactors.

PubMed

Kalinowski, Martin B; Pistner, Christoph

2006-01-01

A global monitoring system for atmospheric xenon radioactivity is being established as part of the International Monitoring System to verify compliance with the Comprehensive Nuclear-Test-Ban Treaty (CTBT). The isotopic activity ratios of (135)Xe, (133m)Xe, (133)Xe and (131m)Xe are of interest for distinguishing nuclear explosion sources from civilian releases. Simulations of light water reactor (LWR) fuel burn-up through three operational reactor power cycles are conducted to explore the possible xenon isotopic signature of nuclear reactor releases under different operational conditions. It is studied how ratio changes are related to various parameters including the neutron flux, uranium enrichment and fuel burn-up. Further, the impact of diffusion and mixing on the isotopic activity ratio variability are explored. The simulations are validated with reported reactor emissions. In addition, activity ratios are calculated for xenon isotopes released from nuclear explosions and these are compared to the reactor ratios in order to determine whether the discrimination of explosion releases from reactor effluents is possible based on isotopic activity ratios.

Measurements of volatile compound contents in resins using a moisture analyzer.

PubMed

Hashimoto, Masanori; Nagano, Futami; Endo, Kazuhiko; Ohno, Hiroki

2010-02-01

The contents of volatile adhesive compounds, such as water, solvents, and residual unpolymerized monomers, affect the integrity and durability of adhesive bonding. However, there is no method available that can be used to rapidly assess the residual solvent or water contents of adhesive resins. This study examined the effectiveness of a digital moisture analyzer to measure the volatile compound contents of resins. Five self-etching adhesives and seven experimental light-cured resins prepared with different contents (0, 10, and 20% by weight) of water or solvents (acetone and ethanol) were examined in this study. The resins were prepared using different methods (with and without air blast or light-curing) to simulate the clinical conditions of adhesive application. Resin weight changes (% of weight loss) were determined as the residual volatile compound contents, using the moisture analyzer. After the measurements, the resin films were examined using a scanning electron microscope. The weight changes of the resins were found to depend on the amount of water or solvents evaporating from the resin. Water and solvents were evaporated by air blast or light-curing, but some of the water and solvents remained in the cured resin. The moisture analyzer is easy to operate and is a useful instrument for using to measure the residual volatile compound contents of adhesive resin.

SMR Re-Scaling and Modeling for Load Following Studies

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

Hoover, K.; Wu, Q.; Bragg-Sitton, S.

2016-11-01

This study investigates the creation of a new set of scaling parameters for the Oregon State University Multi-Application Small Light Water Reactor (MASLWR) scaled thermal hydraulic test facility. As part of a study being undertaken by Idaho National Lab involving nuclear reactor load following characteristics, full power operations need to be simulated, and therefore properly scaled. Presented here is the scaling analysis and plans for RELAP5-3D simulation.

VERAView

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

Lee, Ronald W.; Collins, Benjamin S.; Godfrey, Andrew T.

2016-12-09

In order to support engineering analysis of Virtual Environment for Reactor Analysis (VERA) model results, the Consortium for Advanced Simulation of Light Water Reactors (CASL) needs a tool that provides visualizations of HDF5 files that adhere to the VERAOUT specification. VERAView provides an interactive graphical interface for the visualization and engineering analyses of output data from VERA. The Python-based software provides instantaneous 2D and 3D images, 1D plots, and alphanumeric data from VERA multi-physics simulations.

Insight into climate change from the carbon exchange of biocrusts utilizing non-rainfall water.

PubMed

Ouyang, Hailong; Hu, Chunxiang

2017-05-31

Biocrusts are model ecosystems of global change studies. However, light and non-rainfall water (NRW) were previously few considered. Different biocrust types further aggravated the inconsistence. So carbon-exchange of biocrusts (cyanobacteria crusts-AC1/AC2; cyanolichen crust-LC1; chlorolichen crust-LC2; moss crust-MC) utilizing NRW at various temperatures and light-intensities were determined under simulated and insitu mesocosm experiments. Carbon input of all biocrusts were negatively correlated with experimental temperature under all light-intensity with saturated water and stronger light with equivalent NRW, but positively correlated with temperature under weak light with equivalent NRW. LCPs and R/Pg of AC1 were lowest, followed in turn by AC2, LC2 and MC. Thus AC1 had most opportunities to use NRW, and 2.5 °C warming did cause significant changes of carbon exchange. Structural equation models further revealed that air-temperature was most important for carbon-exchange of ACs, but equally important as NRW for LC2 and MC; positive influence of warming on carbon-input in ACs was much stronger than the latter. Therefore, temperature effect on biocrust carbon-input depends on both moisture and light. Meanwhile, the role of NRW, transitional states between ACs, and obvious carbon-fixation differences between lichen crusts should be fully considered in the future study of biocrusts responding to climate change.

Photodegradation of novel oral anticoagulants under sunlight irradiation in aqueous matrices.

PubMed

Yassine, Montaha; Fuster, Laura; Dévier, Marie-Hélène; Geneste, Emmanuel; Pardon, Patrick; Grélard, Axelle; Dufourc, Erick; Al Iskandarani, Mohamad; Aït-Aïssa, Selim; Garric, Jeanne; Budzinski, Hélène; Mazellier, Patrick; Trivella, Aurélien S

2018-02-01

Kinetics of photodegradation of novel oral anticoagulants dabigatran, rivaroxaban, and apixaban were studied under simulated solar light irradiation in purified, mineral, and river waters. Dabigatran and rivaroxaban underwent direct photolysis with polychromatic quantum yields of 2.2 × 10 -4 and 4.4 × 10 -2 , respectively. The direct photodegradation of apixaban was not observed after 19 h of irradiation. Kinetics of degradation of rivaroxaban was not impacted by the nature of the aqueous matrix while photosensitization from nitrate ions was observed for dabigatran and apixaban dissolved in a mineral water. The photosensitized reactions were limited in the tested river water (Isle River, Périgueux, France) certainly due to the hydroxyl radical scavenging effect of the dissolved organic matter. The study of photoproduct structures allowed to identify two compounds for dabigatran. One of them is the 4-aminobenzamidine while the second one is a cyclization product. In the case of rivaroxaban, as studied by very high field NMR, only one photoproduct was observed i.e. a photoisomer. Finally, seven photoproducts were clearly identified from the degradation of apixaban under simulated solar light. Copyright © 2017 Elsevier Ltd. All rights reserved.

First laboratory insight on the behavioral rhythms of the bathyal crab Geryon longipes

NASA Astrophysics Data System (ADS)

Nuñez, J. D.; Sbragaglia, V.; García, J. A.; Company, J. B.; Aguzzi, J.

2016-10-01

The deep sea is the largest and at the same time least explored biome on Earth, but quantitative studies on the behavior of bathyal organisms are scarce because of the intrinsic difficulties related to in situ observations and maintaining animals in aquaria. In this study, we reported, for the first time, laboratory observations on locomotor rhythms and other behavioral observations (i.e. feeding, exploring and self-grooming) for the bathyal crab Geryon longipes. Crabs were collected on the middle-lower slope (720-1750 m) off the coast of Blanes (Spain). Inertial (18 h) water currents and monochromatic blue (i.e. 470 nm) light-darkness (24 h) cycles were simulated in two different experiments in flume tanks endowed with burrows. Both cycles were simulated in order to investigate activity rhythms regulation in Mediterranean deep-sea benthos. Crabs showed rhythmic locomotor activity synchronized to both water currents and light-darkness cycles. In general terms, feeding and exploring behaviors also followed the same pattern. Results presented here indicate the importance of local inertial (18 h) periodicity of water currents at the seabed as a temporal cue regulating the behavior of bathyal benthic fauna in all continental margin areas where the effects of tides is negligible.

Probing the triplet correlation function in liquid water by experiments and molecular simulations.

PubMed

Dhabal, Debdas; Wikfeldt, Kjartan Thor; Skinner, Lawrie B; Chakravarty, Charusita; Kashyap, Hemant K

2017-01-25

Despite very significant developments in scattering experiments like X-ray and neutron diffraction, it has been challenging to elucidate the nature of tetrahedral molecular configurations in liquid water. A key question is whether the pair correlation functions, which can be obtained from scattering experiments, are sufficient to describe the tetrahedral ordering of water molecules. In our previous study (Dhabal et al., J. Chem. Phys., 2014, 141, 174504), using data-sets generated from reverse Monte Carlo and molecular dynamics simulations, we showed that the triplet correlation functions contain important information on the tetrahedrality of water in the liquid state. In the present study, X-ray scattering experiments and molecular dynamics (MD) simulations are used to link the isothermal pressure derivative of the structure factor with the triplet correlation functions for water. Triplet functions are determined for water up to 3.3 kbar at 298 K to display the effect of pressure on the water structure. The results suggest that triplet functions (H[combining tilde](q)) obtained using a rigid-body TIP4P/2005 water model are consistent with the experimental results. The triplet functions obtained in experiment as well as in simulations evince that in the case of tetrahedral liquids, exertion of higher pressure leads to a better agreement with the Kirkwood superposition approximation (KSA). We further validate this observation using the triplet correlation functions (g (3) (r,s,t)) calculated directly from simulation trajectory, revealing that both H[combining tilde](q) in q-space and g (3) (r,s,t) in real-space contain similar information on the tetrahedrality of liquids. This study demonstrates that the structure factor, even though it has only pair correlation information of the liquid structure, can shed light on three-body correlations in liquid water through its isothermal pressure derivative term.

Formation of bioactive N-doped TiO2 on Ti with visible light-induced antibacterial activity using NaOH, hot water, and subsequent ammonia atmospheric heat treatment.

PubMed

Kawashita, Masakazu; Endo, Naoko; Watanabe, Tomoaki; Miyazaki, Toshiki; Furuya, Maiko; Yokota, Kotoe; Abiko, Yuki; Kanetaka, Hiroyasu; Takahashi, Nobuhiro

2016-09-01

Titanium (Ti) treated with NaOH and hot water, and heated in an ammmonia (NH3) gas atmosphere for 1 or 3h exhibited in vitro apatite formation within 7days when soaked in simulated body fluid (SBF). Moreover, the treated Ti decomposed methylene blue and showed excellent bactericidal activity against Escherichia coli under visible light irradiation. The surface treatment resulted in the formation of a fine network of N-doped anatase-type titania (TiO2-xNx) on the Ti surface, which was responsible for both the apatite formation in SBF and the visible light-induced antibacterial activity. These preliminary results highlight the efficacy of our simple method for producing novel bioactive Ti with visible light-induced antibacterial activity, which could be applied to orthopaedic and dental implants without the risk of infection. Copyright © 2016 Elsevier B.V. All rights reserved.

Photolysis of natural B-triketonic herbicides in water

USDA-ARS?s Scientific Manuscript database

The fate of four natural triketones (leptospermone, isoleptospermone, grandiflorone and flavesone, pKa=4.0 to 4.5) in aqueous solution, in the dark and upon simulated solar light irradiation was investigated. In anionic form, triketones undergo oxidation in the dark, however, photolysis is much fast...

Cyclic crack growth behavior of reactor pressure vessel steels in light water reactor environments

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

Van Der Sluys, W.A.; Emanuelson, R.H.

1986-01-01

During normal operation light water reactor (LWR) pressure vessels are subjected to a variety of transients resulting in time varying stresses. Consequently, fatigue and environmentally assisted fatigue are growth mechanisms relevant to flaws in these pressure vessels. In order to provide a better understanding of the resistance of nuclear pressure vessel steels to flaw growth process, a series of fracture mechanics experiments were conducted to generate data on the rate of cyclic crack growth in SA508-2 and SA533b-1 steels in simulated 550/sup 0/F boiling water reactor (BWR) and 550/sup 0/F pressurized water reactor (PWR) environments. Areas investigated over the coursemore » of the test program included the effects of loading frequency and r ratio (Kmin-Kmax) on crack growth rate as a function of the stress intensity factor (deltaK) range. In addition, the effect of sulfur content of the test material on the cyclic crack growth rate was studied. Cyclic crack growth rates were found to be controlled by deltaK, R ratio, and loading frequency. The sulfur impurity content of the reactor pressure vessel steels studied had a significant effect on the cyclic crack growth rates. The higher growth rates were always associated with materials of higher sulfur content. For a given level of sulfur, growth rates were in a 550/sup 0/F simulated BWR environment than in a 550/sup 0/F simulated PWR environment. In both environments cyclic crack growth rates were a strong function of the loading frequency.« less

Laboratory analysis of techniques for remote sensing of estuarine parameters using laser excitation

NASA Technical Reports Server (NTRS)

Exton, R. J.; Houghton, W. M.; Esaias, W.; Harriss, R. C.; Farmer, F. H.; White, H. H.

1983-01-01

The theoretical concepts underlying remote sensing of estuarine parameters using laser excitation are examined. The concepts are extended to include Mie scattering as a measure of the total suspended solids and to develop the water Raman signal as an internal standard. Experimental validation of the theory was performed using backscattered laser light from a laboratory tank to simulate a remote-sensing geometry. Artificially prepared sediments and biological cultures were employed to check specific aspects of the theory under controlled conditions. Natural samples gathered from a variety of water types were also analyzed in the tank to further enhance the simulation. The results indicate that it should be possible to remotely quantify total suspended solids, dissolved organics, attenuation coefficient, chlorophyll a, and phycoerythrin in estuarine water using laser excitation.

Simulation of laser beam reflection at the sea surface

NASA Astrophysics Data System (ADS)

Schwenger, Frédéric; Repasi, Endre

2011-05-01

A 3D simulation of the reflection of a Gaussian shaped laser beam on the dynamic sea surface is presented. The simulation is suitable for both the calculation of images of SWIR (short wave infrared) imaging sensor and for determination of total detected power of reflected laser light for a bistatic configuration of laser source and receiver at different atmospheric conditions. Our computer simulation comprises the 3D simulation of a maritime scene (open sea/clear sky) and the simulation of laser light reflected at the sea surface. The basic sea surface geometry is modeled by a composition of smooth wind driven gravity waves. The propagation model for water waves is applied for sea surface animation. To predict the view of a camera in the spectral band SWIR the sea surface radiance must be calculated. This is done by considering the emitted sea surface radiance and the reflected sky radiance, calculated by MODTRAN. Additionally, the radiances of laser light specularly reflected at the wind-roughened sea surface are modeled in the SWIR band considering an analytical statistical sea surface BRDF (bidirectional reflectance distribution function). This BRDF model considers the statistical slope statistics of waves and accounts for slope-shadowing of waves that especially occurs at flat incident angles of the laser beam and near horizontal detection angles of reflected irradiance at rough seas. Simulation results are presented showing the variation of the detected laser power dependent on the geometric configuration of laser, sensor and wind characteristics.

Effect of algae and water on water color shift

NASA Astrophysics Data System (ADS)

Yang, Shengguang; Xia, Daying; Yang, Xiaolong; Zhao, Jun

1991-03-01

This study showed that the combined effect of absorption of planktonic algae and water on water color shift can be simulated approximately by the exponential function: Log( E {100cm/ W }+ E {100cm/ Xch1})=0.002λ-2.5 where E {100/cm W }, E {100cm/ Xchl} are, respectively, extinction coefficients of seawater and chlorophyll—a (concentration is equal to X mg/m3), and λ (nm) is wavelength. This empirical regression equation is very useful for forecasting the relation between water color and biomass in water not affected by terrigenous material. The main factor affecting water color shift in the ocean should be the absorption of blue light by planktonic algae.

VERA Core Simulator Methodology for PWR Cycle Depletion

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

Kochunas, Brendan; Collins, Benjamin S; Jabaay, Daniel

2015-01-01

This paper describes the methodology developed and implemented in MPACT for performing high-fidelity pressurized water reactor (PWR) multi-cycle core physics calculations. MPACT is being developed primarily for application within the Consortium for the Advanced Simulation of Light Water Reactors (CASL) as one of the main components of the VERA Core Simulator, the others being COBRA-TF and ORIGEN. The methods summarized in this paper include a methodology for performing resonance self-shielding and computing macroscopic cross sections, 2-D/1-D transport, nuclide depletion, thermal-hydraulic feedback, and other supporting methods. These methods represent a minimal set needed to simulate high-fidelity models of a realistic nuclearmore » reactor. Results demonstrating this are presented from the simulation of a realistic model of the first cycle of Watts Bar Unit 1. The simulation, which approximates the cycle operation, is observed to be within 50 ppm boron (ppmB) reactivity for all simulated points in the cycle and approximately 15 ppmB for a consistent statepoint. The verification and validation of the PWR cycle depletion capability in MPACT is the focus of two companion papers.« less

Position, Orientation and Velocity Detection of Unmanned Underwater Vehicles (UUVs) Using an Optical Detector Array

PubMed Central

Pe’eri, Shachak; Thein, May-Win; Rzhanov, Yuri; Celikkol, Barbaros; Swift, M. Robinson

2017-01-01

This paper presents a proof-of-concept optical detector array sensor system to be used in Unmanned Underwater Vehicle (UUV) navigation. The performance of the developed optical detector array was evaluated for its capability to estimate the position, orientation and forward velocity of UUVs with respect to a light source fixed in underwater. The evaluations were conducted through Monte Carlo simulations and empirical tests under a variety of motion configurations. Monte Carlo simulations also evaluated the system total propagated uncertainty (TPU) by taking into account variations in the water column turbidity, temperature and hardware noise that may degrade the system performance. Empirical tests were conducted to estimate UUV position and velocity during its navigation to a light beacon. Monte Carlo simulation and empirical results support the use of the detector array system for optics based position feedback for UUV positioning applications. PMID:28758936

Impact of ocean acidification on Arctic phytoplankton blooms and dimethyl sulfide concentration under simulated ice-free and under-ice conditions

NASA Astrophysics Data System (ADS)

Hussherr, Rachel; Levasseur, Maurice; Lizotte, Martine; Tremblay, Jean-Éric; Mol, Jacoba; Thomas, Helmuth; Gosselin, Michel; Starr, Michel; Miller, Lisa A.; Jarniková, Tereza; Schuback, Nina; Mucci, Alfonso

2017-05-01

In an experimental assessment of the potential impact of Arctic Ocean acidification on seasonal phytoplankton blooms and associated dimethyl sulfide (DMS) dynamics, we incubated water from Baffin Bay under conditions representing an acidified Arctic Ocean. Using two light regimes simulating under-ice or subsurface chlorophyll maxima (low light; low PAR and no UVB) and ice-free (high light; high PAR + UVA + UVB) conditions, water collected at 38 m was exposed over 9 days to 6 levels of decreasing pH from 8.1 to 7.2. A phytoplankton bloom dominated by the centric diatoms Chaetoceros spp. reaching up to 7.5 µg chlorophyll a L-1 took place in all experimental bags. Total dimethylsulfoniopropionate (DMSPT) and DMS concentrations reached 155 and 19 nmol L-1, respectively. The sharp increase in DMSPT and DMS concentrations coincided with the exhaustion of NO3- in most microcosms, suggesting that nutrient stress stimulated DMS(P) synthesis by the diatom community. Under both light regimes, chlorophyll a and DMS concentrations decreased linearly with increasing proton concentration at all pH levels tested. Concentrations of DMSPT also decreased but only under high light and over a smaller pH range (from 8.1 to 7.6). In contrast to nano-phytoplankton (2-20 µm), pico-phytoplankton ( ≤ 2 µm) was stimulated by the decreasing pH. We furthermore observed no significant difference between the two light regimes tested in term of chlorophyll a, phytoplankton abundance and taxonomy, and DMSP and DMS net concentrations. These results show that ocean acidification could significantly decrease the algal biomass and inhibit DMS production during the seasonal phytoplankton bloom in the Arctic, with possible consequences for the regional climate.

User Guidelines and Best Practices for CASL VUQ Analysis Using Dakota.

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

Adams, Brian M.; Coleman, Kayla; Hooper, Russell

2016-11-01

Sandia's Dakota software (available at http://dakota.sandia.gov) supports science and engineering transformation through advanced exploration of simulations. Specifically, it manages and analyzes ensembles of simulations to provide broader and deeper perspective for analysts and decision makers. This enables them to enhance understanding of risk, improve products, and assess simulation credibility. This manual offers Consortium for Advanced Simulation of Light Water Reactors (LWRs) (CASL) partners a guide to conducting Dakota-based VUQ studies for CASL problems. It motivates various classes of Dakota methods and includes examples of their use on representative application problems. On reading, a CASL analyst should understand why and howmore » to apply Dakota to a simulation problem.« less

Colored thunderstorms.

PubMed

Gedzelman, Stanley David

2017-07-01

Three scenarios that produce colored thunderstorms are simulated. In Scenario #1, the thunderstorm's sunlit face exhibits a color gradient from white or yellow at top to red at base when the sun is near the horizon. It is simulated with a second-order scattering model as a combination of sunlight and skylight reflected from the cloud face that is attenuated and reddened by Rayleigh and Mie scattering over the long optical path near sunset that increases from cloud top to base. In Scenario #2, the base of the precipitation shaft appears luminous green-blue when surrounded by a much darker arcus cloud. It is simulated as multiply scattered light transmitted through the precipitation shaft using a Monte Carlo model that includes absorption by liquid water and ice. The color occurs over a wide range of solar zenith angles with large liquid water content, but the precipitation shaft is only bright when hydrometeors are large. Attenuation of the light by Rayleigh and Mie scattering outside the precipitation shaft shifts the spectrum to green when viewed from a distance of several kilometers. In Scenario #3, the shaded cloud face exhibits a "sickly" yellow-green color. It is simulated with a second-order scattering model as the result of distant skylight that originates in the sunlit region beyond an opaque anvil of order 40 km wide but is attenuated by Rayleigh and Mie scattering in its path to the cloud and observer.

Development of the V4.2m5 and V5.0m0 Multigroup Cross Section Libraries for MPACT for PWR and BWR

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

Kim, Kang Seog; Clarno, Kevin T.; Gentry, Cole

2017-03-01

The MPACT neutronics module of the Consortium for Advanced Simulation of Light Water Reactors (CASL) core simulator is a 3-D whole core transport code being developed for the CASL toolset, Virtual Environment for Reactor Analysis (VERA). Key characteristics of the MPACT code include (1) a subgroup method for resonance selfshielding and (2) a whole-core transport solver with a 2-D/1-D synthesis method. The MPACT code requires a cross section library to support all the MPACT core simulation capabilities which would be the most influencing component for simulation accuracy.

Two-structure thermodynamics for the TIP4P/2005 model of water covering supercooled and deeply stretched regions.

PubMed

Biddle, John W; Singh, Rakesh S; Sparano, Evan M; Ricci, Francesco; González, Miguel A; Valeriani, Chantal; Abascal, José L F; Debenedetti, Pablo G; Anisimov, Mikhail A; Caupin, Frédéric

2017-01-21

One of the most promising frameworks for understanding the anomalies of cold and supercooled water postulates the existence of two competing, interconvertible local structures. If the non-ideality in the Gibbs energy of mixing overcomes the ideal entropy of mixing of these two structures, a liquid-liquid phase transition, terminated at a liquid-liquid critical point, is predicted. Various versions of the "two-structure equation of state" (TSEOS) based on this concept have shown remarkable agreement with both experimental data for metastable, deeply supercooled water and simulations of molecular water models. However, existing TSEOSs were not designed to describe the negative pressure region and do not account for the stability limit of the liquid state with respect to the vapor. While experimental data on supercooled water at negative pressures may shed additional light on the source of the anomalies of water, such data are very limited. To fill this gap, we have analyzed simulation results for TIP4P/2005, one of the most accurate classical water models available. We have used recently published simulation data, and performed additional simulations, over a broad range of positive and negative pressures, from ambient temperature to deeply supercooled conditions. We show that, by explicitly incorporating the liquid-vapor spinodal into a TSEOS, we are able to match the simulation data for TIP4P/2005 with remarkable accuracy. In particular, this equation of state quantitatively reproduces the lines of extrema in density, isothermal compressibility, and isobaric heat capacity. Contrary to an explanation of the thermodynamic anomalies of water based on a "retracing spinodal," the liquid-vapor spinodal in the present TSEOS continues monotonically to lower pressures upon cooling, influencing but not giving rise to density extrema and other thermodynamic anomalies.

Utilization of Metal Sulfide Material of (CuGa)(1-x)Zn(2x)S2 Solid Solution with Visible Light Response in Photocatalytic and Photoelectrochemical Solar Water Splitting Systems.

PubMed

Kato, Takaaki; Hakari, Yuichiro; Ikeda, Satoru; Jia, Qingxin; Iwase, Akihide; Kudo, Akihiko

2015-03-19

Upon forming a solid solution between CuGaS2 and ZnS, we have successfully developed a highly active (CuGa)(1-x)Zn(2x)S2 photocatalyst for H2 evolution in the presence of sacrificial reagents under visible light irradiation. The Ru-loaded (CuGa)0.8Zn0.4S2 functioned as a H2-evolving photocatalyst in a Z-scheme system with BiVO4 of an O2-evolving photocatalyst and Co complexes of an electron mediator. The Z-scheme system split water into H2 and O2 under visible light and simulated sunlight irradiation. The (CuGa)(1-x)Zn(2x)S2 possessed a p-type semiconductor character. The photoelectrochemical cell with a Ru-loaded (CuGa)0.5ZnS2 photocathode and a CoO(x)-modified BiVO4 photoanode split water even without applying an external bias. Thus, we successfully demonstrated that the metal sulfide material group can be available for Z-scheme and electrochemical systems to achieve solar water splitting into H2 and O2.

Minibeam therapy with protons and light ions: physical feasibility and potential to reduce radiation side effects and to facilitate hypofractionation.

PubMed

Dilmanian, F Avraham; Eley, John G; Krishnan, Sunil

2015-06-01

Despite several advantages of proton therapy over megavoltage x-ray therapy, its lack of proximal tissue sparing is a concern. The method presented here adds proximal tissue sparing to protons and light ions by turning their uniform incident beams into arrays of parallel, small, or thin (0.3-mm) pencil or planar minibeams, which are known to spare tissues. As these minibeams penetrate the tissues, they gradually broaden and merge with each other to produce a solid beam. Broadening of 0.3-mm-diameter, 109-MeV proton pencil minibeams was measured using a stack of radiochromic films with plastic spacers. Monte Carlo simulations were used to evaluate the broadening in water of minibeams of protons and several light ions and the dose from neutron generated by collimator. A central parameter was tissue depth, where the beam full width at half maximum (FWHM) reached 0.7 mm, beyond which tissue sparing decreases. This depth was 22 mm for 109-MeV protons in a film stack. It was also found by simulations in water to be 23.5 mm for 109 MeV proton pencil minibeams and 26 mm for 116 MeV proton planar minibeams. For light ions, all with 10 cm range in water, that depth increased with particle size; specifically it was 51 mm for Li-7 ions. The ∼2.7% photon equivalent neutron skin dose from the collimator was reduced 7-fold by introducing a gap between the collimator and the skin. Proton minibeams can be implemented at existing particle therapy centers. Because they spare the shallow tissues, they could augment the efficacy of proton therapy and light particle therapy, particularly in treating tumors that benefit from sparing of proximal tissues such as pediatric brain tumors. They should also allow hypofractionated treatment of all tumors by allowing the use of higher incident doses with less concern about proximal tissue damage. Copyright © 2015 Elsevier Inc. All rights reserved.

Turbid water measurements of remote sensing penetration depth at visible and near-infrared wavelength

NASA Technical Reports Server (NTRS)

Morris, W. D.; Witte, W. G.; Whitlock, C. H.

1980-01-01

Remote sensing of water quality is dicussed. Remote sensing penetration depth is a function both of water type and wavelength. Results of three tests to help demonstrate the magnitude of this dependence are presented. The water depth to which the remote-sensor data was valid was always less than that of the Secchi disk depth, although not always the same fraction of that depth. The penetration depths were wavelength dependent and showed the greatest variation for the water type with largest Secchi depth. The presence of a reflective plate, simulating a reflective subsurface, increased the apparent depth of light penetration from that calculated for water of infinite depth.

Heat dissipation in controlled environment enclosures through the application of water screens

NASA Technical Reports Server (NTRS)

Warrington, I. J.; Halligan, E. A.; Ruby, L. C.; Mcnaughton, K. G.

1994-01-01

The use of plate glass-water thermal barriers in controlled environment facilities effectively reduces the thermal load within the plant growth chamber. This allows high PPFs to be provided for plant growth and development studies, adequate simulation of daily light integrals, and simulation of peak PPF's. Further, substantial amounts of incandescent lamp supplementation can be used to achieve simulation of daylight R:FR ratios which are needed to ensure adequate stem development in some species. While the focus in this paper is on the use of entire thermal barriers which separate the lighting enclosure from the plant growth chamber, the same principles apply to the use of water jackets for cooling individual lamps (such as can occur with xenon-arc lamps). In this instance, the barrier separating the lamps from the plant chamber can be much simpler (e.g., plexiglass) as the main function of the barrier is to separate the air ventilation of the lamp enclosure from the air system within the plant growth chamber. The main advantage of water as a thermal barrier is the negligible absorption of radiation in the photosynthetically-active and near infrared wavebands. Consequently, plate glass-water barriers typically allow transmission of approximately 90% of radiation in these regions. While ventilated double and triple glazing systems appear to be attractive alternative to water barriers from an operating standpoint, their significant absorption in the biologically-important wavebands (7 - 12%) with each glass layer and longer-wave cut-offs (typically 2500 - 4000 nm) makes them a much less attractive alternative. The data presented here demonstrate clearly that measurement of PPF alone is not an adequate representation of the radiation environment being used in a controlled environment study. The amounts and proportions of long-wave and short-wave radiation in a plant growth chamber are dependent on lamp type, lamp combination, presence of a thermal barrier, the type of thermal barrier between the lamps and the plant growing area and the overall construction and design of the chamber. It is important, therefore, in reporting results of controlled environment studies, to adequately describe both the details of the lighting system used and the characteristics of the radiation produced by that system, so results of different studies can be adequately evaluated and compared.

An Optical Model for Estimating the Underwater Light Field from Remote Sensing

NASA Technical Reports Server (NTRS)

Liu, Cheng-Chien; Miller, Richard L.

2002-01-01

A model of the wavelength-integrated scalar irradiance for a vertically homogeneous water column is developed. It runs twenty thousand times faster than simulations obtained using full Hydrolight code and limits the percentage error to less than 3.7%. Both the distribution of incident sky radiance and a wind-roughened surface are integrated in the model. Our model removes common limitations of earlier models and can be applied to waters with any composition of the inherent optical properties. Implementation of this new model, as well as the ancillary information required for processing global-scale satellite data, is discussed. This new model is fast, accurate, and flexible and therefore provides important information of the underwater light field from remote sensing.

High Fidelity BWR Fuel Simulations

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

Yoon, Su Jong

This report describes the Consortium for Advanced Simulation of Light Water Reactors (CASL) work conducted for completion of the Thermal Hydraulics Methods (THM) Level 3 milestone THM.CFD.P13.03: High Fidelity BWR Fuel Simulation. High fidelity computational fluid dynamics (CFD) simulation for Boiling Water Reactor (BWR) was conducted to investigate the applicability and robustness performance of BWR closures. As a preliminary study, a CFD model with simplified Ferrule spacer grid geometry of NUPEC BWR Full-size Fine-mesh Bundle Test (BFBT) benchmark has been implemented. Performance of multiphase segregated solver with baseline boiling closures has been evaluated. Although the mean values of void fractionmore » and exit quality of CFD result for BFBT case 4101-61 agreed with experimental data, the local void distribution was not predicted accurately. The mesh quality was one of the critical factors to obtain converged result. The stability and robustness of the simulation was mainly affected by the mesh quality, combination of BWR closure models. In addition, the CFD modeling of fully-detailed spacer grid geometry with mixing vane is necessary for improving the accuracy of CFD simulation.« less

Optimization and parallelization of the thermal–hydraulic subchannel code CTF for high-fidelity multi-physics applications

DOE PAGES

Salko, Robert K.; Schmidt, Rodney C.; Avramova, Maria N.

2014-11-23

This study describes major improvements to the computational infrastructure of the CTF subchannel code so that full-core, pincell-resolved (i.e., one computational subchannel per real bundle flow channel) simulations can now be performed in much shorter run-times, either in stand-alone mode or as part of coupled-code multi-physics calculations. These improvements support the goals of the Department Of Energy Consortium for Advanced Simulation of Light Water Reactors (CASL) Energy Innovation Hub to develop high fidelity multi-physics simulation tools for nuclear energy design and analysis.

Self-Assembly Behavior of Amphiphilic Janus Dendrimers in Water: A Combined Experimental and Coarse-Grained Molecular Dynamics Simulation Approach.

PubMed

Elizondo-García, Mariana E; Márquez-Miranda, Valeria; Araya-Durán, Ingrid; Valencia-Gallegos, Jesús A; González-Nilo, Fernando D

2018-04-21

Amphiphilic Janus dendrimers (JDs) are repetitively branched molecules with hydrophilic and hydrophobic components that self-assemble in water to form a variety of morphologies, including vesicles analogous to liposomes with potential pharmaceutical and medical application. To date, the self-assembly of JDs has not been fully investigated thus it is important to gain insight into its mechanism and dependence on JDs’ molecular structure. In this study, the aggregation behavior in water of a second-generation bis-MPA JD was evaluated using experimental and computational methods. Dispersions of JDs in water were carried out using the thin-film hydration and ethanol injection methods. Resulting assemblies were characterized by dynamic light scattering, confocal microscopy, and atomic force microscopy. Furthermore, a coarse-grained molecular dynamics (CG-MD) simulation was performed to study the mechanism of JDs aggregation. The obtaining of assemblies in water with no interdigitated bilayers was confirmed by the experimental characterization and CG-MD simulation. Assemblies with dendrimersome characteristics were obtained using the ethanol injection method. The results of this study establish a relationship between the molecular structure of the JD and the properties of its aggregates in water. Thus, our findings could be relevant for the design of novel JDs with tailored assemblies suitable for drug delivery systems.

Spectroscopic signatures of ozone at the air–water interface and photochemistry implications

PubMed Central

Anglada, Josep M.; Martins-Costa, Marilia; Ruiz-López, Manuel F.; Francisco, Joseph S.

2014-01-01

First-principles simulations suggest that additional OH formation in the troposphere can result from ozone interactions with the surface of cloud droplets. Ozone exhibits an affinity for the air–water interface, which modifies its UV and visible light spectroscopic signatures and photolytic rate constant in the troposphere. Ozone cross sections on the red side of the Hartley band (290- to 350-nm region) and in the Chappuis band (450–700 nm) are increased due to electronic ozone–water interactions. This effect, combined with the potential contribution of the O3 + hν → O(3P) + O2(X3Σg−) photolytic channel at the interface, leads to an enhancement of the OH radical formation rate by four orders of magnitude. This finding suggests that clouds can influence the overall oxidizing capacity of the troposphere on a global scale by stimulating the production of OH radicals through ozone photolysis by UV and visible light at the air–water interface. PMID:25071195

Simulation of outdoor pond cultures using indoor LED-lighted and temperature-controlled raceway ponds and Phenometrics photobioreactors

DOE PAGES

Huesemann, Michael; Dale, T.; Chavis, A.; ...

2016-12-02

Two innovative culturing systems, the LED-lighted and temperature-controlled 800 liter indoor raceways at Pacific Northwest National Laboratory (PNNL) and the Phenometrics environmental Photobioreactors™ (ePBRs) were evaluated in terms of their ability to accurately simulate the microalgae growth performance of outdoor cultures subjected to fluctuating sunlight and water temperature conditions. When repeating a 60-day outdoor pond culture experiment (batch and semi-continuous at two dilution rates) conducted in Arizona with the freshwater strain Chlorella sorokiniana DOE 1412 in these two indoor simulators, it was found that ash-free dry weight based biomass growth and productivity in the PNNL climate-simulation ponds was comparatively slightlymore » higher (8–13%) but significantly lower (44%) in the ePBRs. The difference in biomass productivities between the indoor and outdoor ponds was not statistically significant. When the marine Picochlorum soloecismus was cultured in five replicate ePBRs at Los Alamos National Laboratory (LANL) and in duplicate indoor climate-simulation ponds at PNNL, using the same inoculum, medium, culture depth, and light and temperature scripts, the optical density based biomass productivity and the rate of increase in cell counts in the ePBRs was about 35% and 66%, respectively, lower compared than in the indoor ponds. Potential reasons for the divergence in growth performance in these pond simulators, relative to outdoor raceways, are discussed. In conclusion, the PNNL climate-simulation ponds provide reasonably reliable biomass productivity estimates for microalgae strains cultured in outdoor raceways under different climatic conditions.« less

Simulated Thermal Spectro-polarimetric Signatures of Water and Dark-painted Objects in Various Environmental Conditions

DTIC Science & Technology

2011-09-01

information about the materials that make up a scene. Imaging polarimetry measures the polarization of the light forming the image through filtering...Shaw, J. A. Review of Passive Imaging Polarimetry for Remote Sensing Applications. App. Optics 2006, 45 (22), 5453–5469. 8. Shaw, J. A.; Nugent, P

Near infrared spectrum simulation applied to human skin for diagnosis

NASA Astrophysics Data System (ADS)

Tsai, Chen-Mu; Fang, Yi-Chin; Wang, Chih-Yu; Chiu, Pin-Chun; Wu, Guo-Ying; Zheng, Wei-Chi; Chemg, Shih-Hao

2007-11-01

This research proposes a new method for skin diagnose using near infrared as the light source (750nm~1300nm). Compared to UV and visible light, near infrared might penetrate relatively deep into biological soft tissue in some cases although NIR absorption property of tissue is not a constant for water, fat, and collagen etc. In the research, NIR absorption and scattering properties for skin are discussed firstly using the theory of molecule vibration from Quantum physics and Solid State Physics; secondly the practical model for various NIR absorption spectrum to skin tissue are done by optical simulation for human skin. Finally, experiments are done for further identification of proposed model for human skin and its reaction to near infrared. Results show success with identification from both theory and experiments.

Methodological advances: using greenhouses to simulate climate change scenarios.

PubMed

Morales, F; Pascual, I; Sánchez-Díaz, M; Aguirreolea, J; Irigoyen, J J; Goicoechea, N; Antolín, M C; Oyarzun, M; Urdiain, A

2014-09-01

Human activities are increasing atmospheric CO2 concentration and temperature. Related to this global warming, periods of low water availability are also expected to increase. Thus, CO2 concentration, temperature and water availability are three of the main factors related to climate change that potentially may influence crops and ecosystems. In this report, we describe the use of growth chamber - greenhouses (GCG) and temperature gradient greenhouses (TGG) to simulate climate change scenarios and to investigate possible plant responses. In the GCG, CO2 concentration, temperature and water availability are set to act simultaneously, enabling comparison of a current situation with a future one. Other characteristics of the GCG are a relative large space of work, fine control of the relative humidity, plant fertirrigation and the possibility of light supplementation, within the photosynthetic active radiation (PAR) region and/or with ultraviolet-B (UV-B) light. In the TGG, the three above-mentioned factors can act independently or in interaction, enabling more mechanistic studies aimed to elucidate the limiting factor(s) responsible for a given plant response. Examples of experiments, including some aimed to study photosynthetic acclimation, a phenomenon that leads to decreased photosynthetic capacity under long-term exposures to elevated CO2, using GCG and TGG are reported. Copyright © 2014 Elsevier Ireland Ltd. All rights reserved.

Using the combination refraction-reflection solid to design omni-directional light source used in underwater wireless optical communication

NASA Astrophysics Data System (ADS)

Rao, Jionghui; Yao, Wenming; Wen, Linqiang

2015-10-01

Underwater wireless optical communication is a communication technology which uses laser as an information carrier and transmits data through water. Underwater wireless optical communication has some good features such as broader bandwidth, high transmission rate, better security, anti—interference performance. Therefore, it is promising to be widely used in the civil and military communication domains. It is also suitable for high-speed, short-range communication between underwater mobile vehicles. This paper presents a design approach of omni-directional light source used in underwater wireless optical communication, using TRACEPRO simulation tool to help design a combination solid composed of the lens, conical reflector and parabolic reflector, and using the modulated DPSS green laser in the transmitter module to output the laser beam in small divergence angles, after expanded by the combination refraction-reflection solid, the angle turns into a space divergence angle of 2π, achieving the omni-directional light source of hemisphere space, and test in the air and underwater, the result shows that the effect is fine. This paper analyzes the experimental test in the air and water, in order to make further improvement of the uniformity of light distribution, we optimize the reflector surface parameters of combination refraction-reflection solid and test in the air and water. The result shows that omni-directional light source used in underwater wireless optical communication optimized could achieve the uniformity of light distribution of underwater space divergence angle of 2π. Omni-directional light source used in underwater wireless optical communication designed in this paper has the characteristics of small size and uniformity of light distribution, it is suitable for application between UUVs, AUVs, Swimmer Delivery Vehicles (SDVs) and other underwater vehicle fleet, it realizes point-to-multipoint communications.

Nuclear quantum effects of light and heavy water studied by all-electron first principles path integral simulations

NASA Astrophysics Data System (ADS)

Machida, Masahiko; Kato, Koichiro; Shiga, Motoyuki

2018-03-01

The isotopologs of liquid water, H2O, D2O, and T2O, are studied systematically by first principles PIMD simulations, in which the whole entity of the electrons and nuclei are treated quantum mechanically. The simulation results are in reasonable agreement with available experimental data on isotope effects, in particular, on the peak shift in the radial distributions of H2O and D2O and the shift in the evaporation energies. It is found that, due to differences in nuclear quantum effects, the H atoms in the OH bonds more easily access the dissociative region up to the hydrogen bond center than the D (T) atoms in the OD (OT) bonds. The accuracy and limitation in the use of the current density-functional-theory-based first principles PIMD simulations are also discussed. It is argued that the inclusion of the dispersion correction or relevant improvements in the density functionals are required for the quantitative estimation of isotope effects.

Spectral changes induced by pH variation of aqueous extracts derived from biomass burning aerosols: Under dark and in presence of simulated sunlight irradiation

NASA Astrophysics Data System (ADS)

Cai, Jing; Zhi, Guorui; Yu, Zhiqiang; Nie, Peng; Gligorovski, Sasho; Zhang, Yuzhe; Zhu, Like; Guo, Xixiang; Li, Pei; He, Tan; He, Youjiang; Sun, Jianzhong; Zhang, Yang

2018-07-01

Water soluble organic carbon (WSOC) can significantly influence the aerosol optical properties and the aqueous phase chemistry in cloudwater, fogwater and aerosol liquid water. Here, we examine how the changing pH (in acidic range) affects the absorption spectra of aqueous extracts from field biomass burning aerosols, under dark conditions and in presence of simulated sunlight illumination. The observation under dark conditions indicates that pH variation from 2 to 5 induces significantly enhanced light absorbance in the wavelength ranges of 235-270 nm and 300-550 nm, whereas the light absorbance decreased in the range of 270-300 nm, which might be partially ascribed to the deprotonation of carboxylic acids and phenols. During the extract photolysis, light absorption exhibits photo-bleaching below 380 nm and photo-enhancement above 380 nm, indicating that at acidic levels (pH = 2-5), the particle extracts could undergo a significant composition evolution leading to a modification of absorptive properties. Meanwhile, after 12 h-photolysis, the acidity ([H+]) normalized by WSOC concentration in aqueous extracts ([WSOCae]) increased with a variation of Δ[H+]/[WSOCae]=(3.7 ± 0.7) × 10-7 mol mgC-1 (mean ± standard deviation), suggesting the formation of new acidic substances. Although these findings were acquired in aqueous solutions more relevant to cloud and fog water, the similar evolution likely occurs in wetted aerosols. This calls more attention to the effect of acidity on the wetted aerosols in order to better estimate the aerosol radiative forcing.

Proline 68 enhances photoisomerization yield in photoactive yellow protein.

PubMed

Rupenyan, Alisa B; Vreede, Jocelyne; van Stokkum, Ivo H M; Hospes, Marijke; Kennis, John T M; Hellingwerf, Klaas J; Groot, Marie Louise

2011-05-26

In proteins and enzymes, the local environment of an active cofactor plays an important role in controlling the outcome of a functional reaction. In photoactive yellow protein (PYP), it ensures photoisomerization of the chromophore, a prerequisite for formation of a signaling state. PYP is the prototype of a PAS domain, and the preferred model system for the studies of molecular mechanisms of biological light sensing. We investigated the effect of replacing proline-68, positioned near but not in direct contact with the chromophore, with other neutral amino acids (alanine, glycine, and valine), using ultrafast spectroscopy probing the visible and the mid-IR spectral regions, and molecular simulation to understand the interactions tuning the efficiency of light signaling. Transient absorption measurements indicate that the quantum yield of isomerization in the mutants is lower than the yield observed for the wild type. Subpicosecond mid-IR spectra and molecular dynamics simulations of the four proteins reveal that the hydrogen bond interactions around the chromophore and the access of water molecules in the active site of the protein determine the efficiency of photoisomerization. The mutants provide additional hydrogen bonds to the chromophore, directly and by allowing more water molecules access to its binding pocket. We conclude that proline-68 in the wild type protein optimizes the yield of photochemistry by maintaining a weak hydrogen bond with the chromophore, at the same time restraining the entrance of water molecules close to the alkylic part of pCa. This study provides a molecular basis for the structural optimization of biological light sensing.

Whole life cycle of femtosecond ultraviolet filaments in water

NASA Astrophysics Data System (ADS)

Jarnac, Amélie; Tamosauskas, Gintaras; Majus, Donatas; Houard, Aurélien; Mysyrowicz, André; Couairon, Arnaud; Dubietis, Audrius

2014-03-01

We present measurements fully characterizing the whole life cycle of femtosecond pulses undergoing filamentation in water at 400 nm. The complete pulse dynamics is monitored by means of a four-dimensional mapping technique for the intensity distribution I (x,y,z,t) during the nonlinear interaction. Measured events (focusing or defocusing cycles, pulse splitting and replenishment, supercontinuum generation, conical emission, nonlinear absorption peaks) are mutually connected.The filament evolution from laser energy deposition in water, which is of paramount importance for a wide range of technological and medical applications, is interpreted in light of simulation results.

Evolution of mechanical response of sodium montmorillonite interlayer with increasing hydration by molecular dynamics.

PubMed

Schmidt, Steven R; Katti, Dinesh R; Ghosh, Pijush; Katti, Kalpana S

2005-08-16

The mechanical response of the interlayer of hydrated montmorillonite was evaluated using steered molecular dynamics. An atomic model of the sodium montmorillonite was previously constructed. In the current study, the interlayer of the model was hydrated with multiple layers of water. Using steered molecular dynamics, external forces were applied to individual atoms of the clay surface, and the response of the model was studied. The displacement versus applied stress and stress versus strain relationships of various parts of the interlayer were studied. The paper describes the construction of the model, the simulation procedure, and results of the simulations. Some results of the previous work are further interpreted in the light of the current research. The simulations provide quantitative stress deformation relationships as well as an insight into the molecular interactions taking place between the clay surface and interlayer water and cations.

Making C4 crops more water efficient under current and future climate: Tradeoffs between carbon gain and water loss

NASA Astrophysics Data System (ADS)

Srinivasan, V.; Pignon, C.

2017-12-01

C4 plants have a carbon concentrating mechanism that has evolved under historically low CO2 concentrations of around 200 ppm. However, increases in global CO2 concentrations in recent times (current CO2 concentrations are at 400 ppm and it is projected to be 550 ppm by mid-century) have diminished the relative advantage of C4 plants over C3 plants, which lack the expensive carbon concentrating machinery. Here we show by employing model simulations that under pre-historic CO2 concentrations, C4 plants are near optimal in their stomatal behavior and nitrogen partitioning between carbon concentrating machinery and carboxylation machinery, and they are significantly supra-optimal under current and future elevated CO2 concentrations. Model simulations performed at current CO2 concentrations of 400 ppm show that, under high light conditions, decreasing stomatal conductance by 20% results in a 15% increase in water use efficiency with negligible loss in photosynthesis. Under future elevated CO2 concentrations of 550 ppm, a 40% decrease in stomatal conductance produces a 35% increase in water use efficiency. Furthermore, stomatal closure is shown to be more effective in decreasing whole canopy transpiration compared to canopy top leaf transpiration, since shaded leaves are more supra-optimal than sunlit leaves. Model simulations for optimizing nitrogen distribution in C4 leaves show that under high light conditions, C4 plants over invest in carbon concentrating machinery and under invest in carboxylation machinery. A 20% redistribution in leaf nitrogen results in a 10% increase in leaf carbon assimilation without significant increases in transpiration under current CO2 concentrations of 400 ppm. Similarly, a 40% redistribution in leaf nitrogen results in a 15% increase in leaf carbon assimilation without significant increases in transpiration under future elevated CO2 concentrations of 550 ppm. Our model optimality simulations show that C4 leaves a supra optimal in their stomatal behavior and leaf nitrogen distribution and by decreasing stomatal conductance and redistributing nitrogen away from carbon concentrating mechanism and towards carboxylation machinery, we can significantly decrease transpiration and increase carbon assimilation thereby increasing water use efficiency.

Palladium-doped-ZrO2-multiwalled carbon nanotubes nanocomposite: an advanced photocatalyst for water treatment

NASA Astrophysics Data System (ADS)

Anku, William Wilson; Oppong, Samuel Osei-Bonsu; Shukla, Sudheesh Kumar; Agorku, Eric Selorm; Govender, Poomani Penny

2016-06-01

The photocatalytic degradation of organic pollutants from water using palladium-doped-zirconium oxide-multiwalled carbon nanotubes (Pd-ZrO2-MWCNTs) nanocomposites is presented. A series of Pd doped-ZrO2-MWCNTs nanocomposites with varying percentage compositions of Pd were prepared by the homogenous co-precipitation method. The photocatalytic applicability of the materials was investigated by the degradation of acid blue 40 dye in water under simulated solar light. The optical, morphological and structural properties of the nanocomposites were evaluated using X-ray powder diffraction, Fourier transformer infrared spectroscopy, scanning electron microscopy, transmission electron microscopy, BET surface area analysis and (UV-Vis) spectroscopy. The Pd-ZrO2-MWCNTs nanocomposites showed enhanced photocatalytic activity toward the degradation of the acid blue 40 dye under visible light compared with bare ZrO2 and ZrO2-MWCNTs alone. The remarkable photocatalytic activity of Pd-ZrO2-MWCNTs nanocomposites in the visible light makes it an ideal photocatalyst for the removal of organic pollutants in water. The 0.5 % Pd-ZrO2-MWCNT was the most efficient photocatalyst with 98 % degradation after 3 h with corresponding K a and band gap values of 16.8 × 10-3 m-1 and 2.79 eV, respectively.

New PANDA Tests to Investigate Effects of Light Gases on Passive Safety Systems

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

Paladino, D.; Auban, O.; Candreia, P.

The large- scale thermal-hydraulic PANDA facility (located at PSI in Switzerland), has been used over the last few years for investigating different passive decay- heat removal systems and containment phenomena for the next generation of light water reactors (Simplified Boiling Water Reactor: SBWR; European Simplified Boiling Water Reactor: ESBWR; Siedewasserreaktor: SWR-1000). Currently, as part of the European Commission 5. EURATOM Framework Programme project 'Testing and Enhanced Modelling of Passive Evolutionary Systems Technology for Containment Cooling' (TEMPEST), a new series of tests is being planned in the PANDA facility to experimentally investigate the distribution of non-condensable gases inside the containment andmore » their effect on the performance of the 'Passive Containment Cooling System' (PCCS). Hydrogen release caused by the metal-water reaction in the case of a postulated severe accident will be simulated in PANDA by injecting helium into the reactor pressure vessel. In order to provide suitable data for Computational Fluid Dynamic (CFD) code assessment and improvement, the instrumentation in PANDA has been upgraded for the new tests. In the present paper, a detailed discussion is given of the new PANDA tests to be performed to investigate the effects of light gas on passive safety systems. The tests are scheduled for the first half of the year 2002. (authors)« less

The underwater coincidence counter (UWCC) for plutonium measurements in mixed oxide fuels

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

Eccleston, G.W.; Menlove, H.O.; Abhold, M.

1998-12-31

The use of fresh uranium-plutonium mixed oxide (MOX) fuel in light-water reactors (LWR) is increasing in Europe and Japan and it is necessary to verify the plutonium content in the fuel for international safeguards purposes. The UWCC is a new instrument that has been designed to operate underwater and nondestructively measure the plutonium in unirradiated MOX fuel assemblies. The UWCC can be quickly configured to measure either boiling-water reactor (BWR) or pressurized-water reactor (PWR) fuel assemblies. The plutonium loading per unit length is measured using the UWCC to precisions of less than 1% in a measurement time of 2 tomore » 3 minutes. Initial calibrations of the UWCC were completed on measurements of MOX fuel in Mol, Belgium. The MCNP-REN Monte Carlo simulation code is being benchmarked to the calibration measurements to allow accurate simulations for extended calibrations of the UWCC.« less

Modularized and water-cooled photo-catalyst cleaning devices for aquaponics based on ultraviolet light-emitting diodes

NASA Astrophysics Data System (ADS)

Yang, Henglong; Lung, Louis; Wei, Yu-Chien; Huang, Yi-Bo; Chen, Zi-Yu; Chou, Yu-Yang; Lin, Anne-Chin

2017-08-01

The feasibility of applying ultraviolet light-emitting diodes (UV-LED's) as triggering sources of photo-catalyst based on titanium dioxide (TiO2) nano-coating specifically for water-cleaning process in an aquaponics system was designed and proposed. The aquaponics system is a modern farming system to integrate aquaculture and hydroponics into a single system to establish an environmental-friendly and lower-cost method for farming fish and vegetable all together in urban area. Water treatment in an aquaponics system is crucial to avoid mutual contamination. we proposed a modularized watercleaning device composed of all commercially available components and parts to eliminate organic contaminants by using UV-LED's for TiO2 photo-catalyst reaction. This water-cleaning module consisted of two coaxial hollowed cylindrical pipes can be submerged completely in water for water treatment and cooling UV-LED's. The temperature of the UV-LED after proper thermal management can be reduced about 16% to maintain the optimal operation condition. Our preliminary experimental result by using Methylene Blue solution to simulate organic contaminants indicated that TiO2 photo-catalyst triggered by UV-LED's can effectively decompose organic compound and decolor Methylene Blue solution.

Facile fabrication of an efficient BiVO4 thin film electrode for water splitting under visible light irradiation.

PubMed

Jia, Qingxin; Iwashina, Katsuya; Kudo, Akihiko

2012-07-17

An efficient BiVO(4) thin film electrode for overall water splitting was prepared by dipping an F-doped SnO(2) (FTO) substrate electrode in an aqueous nitric acid solution of Bi(NO(3))(3) and NH(4)VO(3), and subsequently calcining it. X-ray diffraction of the BiVO(4) thin film revealed that a photocatalytically active phase of scheelite-monoclinic BiVO(4) was obtained. Scanning electron microscopy images showed that the surface of an FTO substrate was uniformly coated with the BiVO(4) film with 300-400 nm of the thickness. The BiVO(4) thin film electrode gave an excellent anodic photocurrent with 73% of an IPCE at 420 nm at 1.0 V vs. Ag/AgCl. Modification with CoO on the BiVO(4) electrode improved the photoelectrochemical property. A photoelectrochemical cell consisting of the BiVO(4) thin film electrode with and without CoO, and a Pt counter electrode was constructed for water splitting under visible light irradiation and simulated sunlight irradiation. Photocurrent due to water splitting to form H(2) and O(2) was confirmed with applying an external bias smaller than 1.23 V that is a theoretical voltage for electrolysis of water. Water splitting without applying external bias under visible light irradiation was demonstrated using a SrTiO(3)Rh photocathode and the BiVO(4) photoanode.

Improved Understanding of the Photosynthetic Response of Seven Rice Genotypes with Different Drought Sensitivity using Light and CO2 Response Curves

NASA Astrophysics Data System (ADS)

Mitra, B.; Basu, S.; Bereznyakov, D.; Pereira, A.; Naithani, K. J.

2015-12-01

Drought across different agro-climatic regions of the world has the capacity to drastically impact the yield potential of rice. Consequently, there is growing interest in developing drought tolerant rice varieties with high yield. We parameterized two photosynthesis models based on light and CO2 response curves for seven different rice genotypes with different drought survival mechanisms: sensitive (Nipponbar, TEJ), resistance (Bengal, TRJ), avoidance by osmotic adjustment (Kaybonnet, TRJ; IRAT177, TRJ; N22, Aus; Vandana, Aus; and O Glabberrima, 316603). All rice genotypes were grown in greenhouse conditions (24 °C ± 3°C air temperature and ~ 600 μmol m-2 s-1 light intensity) with light/dark cycles of 10/14 h in water filled trays simulating flooded conditions. Measurements were conducted on fully grown plants (35 - 60 days old) under simulated flooded and drought conditions. Preliminary results have shown that the drought sensitive genotype, Nipponbare has the lowest photosynthetic carboxylation capacity (Vcmax) and a similar electron transport rate (Jmax) compared to the drought resistant genotype IRAT 177. Mitochondrial respiration (Rd) of all the genotypes were similar while quantum yield of the drought sensitive genotype was greater than that of the drought resistant genotypes. While both drought tolerant and drought sensitive rice genotypes have the same photosynthetic yield, from an irrigation perspective the former would require less 'drop per grain'. This has enormous economic and management implications on account of dwindling water resources across the world due to drought.

Theoretical and experimental characterization of novel water-equivalent plastics in clinical high-energy carbon-ion beams.

PubMed

Lourenço, A; Wellock, N; Thomas, R; Homer, M; Bouchard, H; Kanai, T; MacDougall, N; Royle, G; Palmans, H

2016-11-07

Water-equivalent plastics are frequently used in dosimetry for experimental simplicity. This work evaluates the water-equivalence of novel water-equivalent plastics specifically designed for light-ion beams, as well as commercially available plastics in a clinical high-energy carbon-ion beam. A plastic- to-water conversion factor [Formula: see text] was established to derive absorbed dose to water in a water phantom from ionization chamber readings performed in a plastic phantom. Three trial plastic materials with varying atomic compositions were produced and experimentally characterized in a high-energy carbon-ion beam. Measurements were performed with a Roos ionization chamber, using a broad un-modulated beam of 11  ×  11 cm 2 , to measure the plastic-to-water conversion factor for the novel materials. The experimental results were compared with Monte Carlo simulations. Commercially available plastics were also simulated for comparison with the plastics tested experimentally, with particular attention to the influence of nuclear interaction cross sections. The measured [Formula: see text] correction increased gradually from 0% at the surface to 0.7% at a depth near the Bragg peak for one of the plastics prepared in this work, while for the other two plastics a maximum correction of 0.8%-1.3% was found. Average differences between experimental and numerical simulations were 0.2%. Monte Carlo results showed that for polyethylene, polystyrene, Rando phantom soft tissue and A-150, the correction increased from 0% to 2.5%-4.0% with depth, while for PMMA it increased to 2%. Water-equivalent plastics such as, Plastic Water, RMI-457, Gammex 457-CTG, WT1 and Virtual Water, gave similar results where maximum corrections were of the order of 2%. Considering the results from Monte Carlo simulations, one of the novel plastics was found to be superior in comparison with the plastic materials currently used in dosimetry, demonstrating that it is feasible to tailor plastic materials to be water-equivalent for carbon ions specifically.

Local phase separation of co-solvents enhances pretreatment of biomass for bioenergy applications

DOE PAGES

Mostofian, Barmak; Cai, Charles M.; Smith, Micholas Dean; ...

2016-08-02

Pretreatment facilitates more complete deconstruction of plant biomass to enable more economic production of lignocellulosic biofuels and byproducts. Various co-solvent pretreatments have demonstrated advantages relative to aqueous-only methods by enhancing lignin removal to allow unfettered access to cellulose. However, there is a limited mechanistic understanding of the interactions between the co-solvents and cellulose that impedes further improvement of such pretreatment methods. Recently, tetrahydrofuran (THF) has been identified as a highly effective co-solvent for the pretreatment and fractionation of biomass. Here, to elucidate the mechanism of the THF water interactions with cellulose, we pair simulation and experimental data demonstrating that enhancedmore » solubilization of cellulose can be achieved by the THF water co-solvent system at equivolume mixtures and moderate temperatures (≤445 K). The simulations show that THF and water spontaneously phase separate on the local surface of a cellulose fiber, owing to hydrogen bonding of water molecules with the hydrophilic cellulose faces and stacking of THF molecules on the hydrophobic faces. Furthermore, a single fully solvated cellulose chain is shown to be preferentially bound by water molecules in the THF water mixture. In light of these findings, co-solvent reactions were performed on microcrystalline cellulose and maple wood to show that THF significantly enhanced cellulose deconstruction and lignocellulose solubilization at simulation conditions, enabling a highly versatile and efficient biomass pretreatment and fractionation method.« less

Noncontinuous Super-Diffusive Dynamics of a Light-Activated Nanobottle Motor.

PubMed

Xuan, Mingjun; Mestre, Rafael; Gao, Changyong; Zhou, Chang; He, Qiang; Sánchez, Samuel

2018-06-04

We report a carbonaceous nanobottle (CNB) motor for near infrared (NIR) light-driven jet propulsion. The bottle structure of the CNB motor is fabricated by soft-template-based polymerization. Upon illumination with NIR light, the photothermal effect of the CNB motor carbon shell causes a rapid increase in the temperature of the water inside the nanobottle and thus the ejection of the heated fluid from the open neck, which propels the CNB motor. The occurrence of an explosion, the on/off motion, and the swing behavior of the CNB motor can be modulated by adjusting the NIR light source. Moreover, we simulated the physical field distribution (temperature, fluid velocity, and pressure) of the CNB motor to demonstrate the mechanism of NIR light-driven jet propulsion. This NIR light-powered CNB motor exhibits fuel-free propulsion and control of the swimming velocity by external light and has great potential for future biomedical applications. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Human and climate impact on global riverine water and sediment fluxes - a distributed analysis

NASA Astrophysics Data System (ADS)

Cohen, S.; Kettner, A.; Syvitski, J. P.

2013-05-01

Understanding riverine water and sediment dynamics is an important undertaking for both socially-relevant issues such as agriculture, water security and infrastructure management and for scientific analysis of climate, landscapes, river ecology, oceanography and other disciplines. Providing good quantitative and predictive tools in therefore timely particularly in light of predicted climate and landuse changes. The intensity and dynamics between man-made and climatic factors vary widely across the globe and are therefore hard to predict. Using sophisticated numerical models is therefore warranted. Here we use a distributed global riverine sediment and water discharge model (WBMsed) to simulate human and climate effect on our planet's large rivers.

The Development of Dynamic Human Reliability Analysis Simulations for Inclusion in Risk Informed Safety Margin Characterization Frameworks

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

Jeffrey C. Joe; Diego Mandelli; Ronald L. Boring

2015-07-01

The United States Department of Energy is sponsoring the Light Water Reactor Sustainability program, which has the overall objective of supporting the near-term and the extended operation of commercial nuclear power plants. One key research and development (R&D) area in this program is the Risk-Informed Safety Margin Characterization pathway, which combines probabilistic risk simulation with thermohydraulic simulation codes to define and manage safety margins. The R&D efforts to date, however, have not included robust simulations of human operators, and how the reliability of human performance or lack thereof (i.e., human errors) can affect risk-margins and plant performance. This paper describesmore » current and planned research efforts to address the absence of robust human reliability simulations and thereby increase the fidelity of simulated accident scenarios.« less

SU-F-207-01: Comparison of Beam Characteristics and Organ Dose From Four Commercial Multidetector Computed Tomography Scanners

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

Ohno, T; Araki, F

2015-06-15

Purpose: To compare dosimetric properties and patient organ doses from four commercial multidetector CT (MDCT) using Monte Carlo (MC) simulation based on the absorbed dose measured using a Farmer chamber and cylindrical water phantoms according to AAPM TG-111. Methods: Four commercial MDCT were modeled using the GMctdospp (IMPS, Germany) based on the EGSnrc user code. The incident photon spectrum and bowtie filter for MC simulations were determined so that calculated values of aluminum half-value layer (Al-HVL) and off-center ratio (OCR) profile in air agreed with measured values. The MC dose was calibrated from absorbed dose measurements using a Farmer chambermore » and cylindrical water phantoms. The dose distributions of head, chest, and abdominal scan were calculated using patient CT images and mean organ doses were evaluated from dose volume histograms. Results: The HVLs at 120 kVp of Brilliance, LightSpeed, Aquilion, and SOMATOM were 9.1, 7.5, 7.2, and 8.7 mm, respectively. The calculated Al-HVLs agreed with measurements within 0.3%. The calculated and measured OCR profiles agreed within 5%. For adult head scans, mean doses for eye lens from Brilliance, LightSpeed, Aquilion, and SOMATOM were 21.7, 38.5, 47.2 and 28.4 mGy, respectively. For chest scans, mean doses for lung from Brilliance, LightSpeed, Aquilion, and SOMATOM were 21.1, 26.1, 35.3 and 24.0 mGy, respectively. For adult abdominal scans, the mean doses for liver from Brilliance, LightSpeed, Aquilion, and SOMATOM were 16.5, 21.3, 22.7, and 18.0 mGy, respectively. The absorbed doses increased with decreasing Al-HVL. The organ doses from Aquilion were two greater than those from Brilliance in head scan. Conclusion: MC dose distributions based on absorbed dose measurement in cylindrical water phantom are useful to evaluate individual patient organ doses.« less

Characterization of measurement artefacts in fluoroptic temperature sensors: implications for laser thermal therapy at 810 nm.

PubMed

Davidson, Sean R H; Vitkin, I Alex; Sherar, Michael D; Whelan, William M

2005-04-01

Fluoroptic sensors are used to measure interstitial temperatures but their utility for monitoring laser interstitial thermal therapy (LITT) is unclear because these sensors exhibit a measurement artefact when exposed to the near-infrared (NIR) treatment light. This study investigates the cause of the artefact to determine whether fluoroptic sensors can provide reliable temperature measurements during LITT. The temperature rise measured by a fluoroptic sensor irradiated in non-absorbing media (air and water) was considered an artefact. Temperature rise was measured as a function of distance from a laser source. Two different sensor designs and several laser powers were investigated. A relationship between fluence rate and measurement artefact in water was determined and coupled with a numerical simulation of LITT in liver to estimate the error in temperature measurements made by fluoroptic sensors in tissue in proximity to the laser source. The effect of ambient light on the performance of sensors capped with a transparent material ("clear-capped sensors") was also investigated. The temperature rise recorded in air by both clear- and black-capped fluoroptic sensors decreased with distance from a laser source in a manner similar to fluence rate. Sensor cap material, laser power, and the thermal properties of the surrounding medium affected the magnitude of the artefact. Numerical simulations indicated that the accuracy of a clear-capped fluoroptic sensor used to monitor a typical LITT treatment in liver is > 1 degrees C provided the sensor is further than approximately 3 mm from the source. It was also shown that clear-capped fluoroptic sensors are affected by ambient light. The measurement artefact experienced by both black-capped and clear-capped fluoroptic sensors irradiated by NIR light scales with fluence rate and is due to direct absorption of the laser light, which results in sensor self-heating. Clear-capped fluoroptic sensors can be used to accurately monitor LITT in tissue but should be shielded from ambient light. Copyright 2005 Wiley-Liss, Inc.

Norway maple displays greater seasonal growth and phenotypic plasticity to light than native sugar maple.

PubMed

Paquette, Alain; Fontaine, Bastien; Berninger, Frank; Dubois, Karine; Lechowicz, Martin J; Messier, Christian; Posada, Juan M; Valladares, Fernando; Brisson, Jacques

2012-11-01

Norway maple (Acer platanoides L), which is among the most invasive tree species in forests of eastern North America, is associated with reduced regeneration of the related native species, sugar maple (Acer saccharum Marsh) and other native flora. To identify traits conferring an advantage to Norway maple, we grew both species through an entire growing season under simulated light regimes mimicking a closed forest understorey vs. a canopy disturbance (gap). Dynamic shade-houses providing a succession of high-intensity direct-light events between longer periods of low, diffuse light were used to simulate the light regimes. We assessed seedling height growth three times in the season, as well as stem diameter, maximum photosynthetic capacity, biomass allocation above- and below-ground, seasonal phenology and phenotypic plasticity. Given the north European provenance of Norway maple, we also investigated the possibility that its growth in North America might be increased by delayed fall senescence. We found that Norway maple had significantly greater photosynthetic capacity in both light regimes and grew larger in stem diameter than sugar maple. The differences in below- and above-ground biomass, stem diameter, height and maximum photosynthesis were especially important in the simulated gap where Norway maple continued extension growth during the late fall. In the gap regime sugar maple had a significantly higher root : shoot ratio that could confer an advantage in the deepest shade of closed understorey and under water stress or browsing pressure. Norway maple is especially invasive following canopy disturbance where the opposite (low root : shoot ratio) could confer a competitive advantage. Considering the effects of global change in extending the potential growing season, we anticipate that the invasiveness of Norway maple will increase in the future.

Self-propagating solar light reduction of graphite oxide in water

NASA Astrophysics Data System (ADS)

Todorova, N.; Giannakopoulou, T.; Boukos, N.; Vermisoglou, E.; Lekakou, C.; Trapalis, C.

2017-01-01

Graphite Oxide (GtO) is commonly used as an intermediate material for preparation of graphene in the form of reduced graphene oxide (rGO). Being a semiconductor with tunable band gap rGO is often coupled with various photocatalysts to enhance their visible light activity. The behavior of such rGO-based composites could be affected after prolonged exposure to solar light. In the present work, the alteration of the GtO properties under solar light irradiation is investigated. Water dispersions of GtO manufactured by oxidation of natural graphite via Hummers method were irradiated into solar light simulator for different periods of time without addition of catalysts or reductive agent. The FT-IR analysis of the treated dispersions revealed gradual reduction of the GtO with the increase of the irradiation time. The XRD, FT-IR and XPS analyses of the obtained solid materials confirmed the transition of GtO to rGO under solar light irradiation. The reduction of the GtO was also manifested by the CV measurements that revealed stepwise increase of the specific capacitance connected with the restoration of the sp2 domains. Photothermal self-propagating reduction of graphene oxide in aqueous media under solar light irradiation is suggested as a possible mechanism. The self-photoreduction of GtO utilizing solar light provides a green, sustainable route towards preparation of reduced graphene oxide. However, the instability of the GtO and partially reduced GO under irradiation should be considered when choosing the field of its application.

A high-speed photographic system for flow visualization in a steam turbine

NASA Technical Reports Server (NTRS)

Barna, G. J.

1973-01-01

A photographic system was designed to visualize the moisture flow in a steam turbine. Good performance of the system was verified using dry turbine mockups in which an aerosol spray simulated, in a rough way, the moisture flow in the turbine. Borescopes and fiber-optic light tubes were selected as the general instrumentation approach. High speed motion-picture photographs of the liquid flow over the stator blade surfaces were taken using stroboscopic lighting. Good visualization of the liquid flow was obtained. Still photographs of drops in flight were made using short duration flash sources. Drops with diameters as small as 30 micrometers (0.0012 in.) could be resolved. In addition, motion pictures of a spray of water simulating the spray off the rotor blades and shrouds were taken at normal framing rates. Specially constructed light tubes containing small tungsten-halogen lamps were used. Sixteen millimeter photography was used in all cases. Two potential problems resulting from the two-phase turbine flow (attenuation and scattering of light by the fog present and liquid accumulation on the borescope mirrors) were taken into account in the photographic system design but not evaluated experimentally.

A dye-sensitized photoelectrochemical tandem cell for light driven hydrogen production from water

DOE PAGES

Sherman, Benjamin D.; Sheridan, Matthew V.; Wee, Kyung -Ryang; ...

2016-12-02

Here, tandem junction photoelectrochemical water-splitting devices, whereby two light absorbing electrodes targeting separate portions of the solar spectrum generate the voltage required to convert water to oxygen and hydrogen, enable much higher possible efficiencies than single absorber systems. We report here on the development of a tandem system consisting of a dye-sensitized photoelectrochemical cell (DSPEC) wired in series with a dye-sensitized solar cell (DSC). The DSPEC photoanode incorporates a tris(bipyridine)ruthenium(II)-type chromophore and molecular ruthenium based water oxidation catalyst. The DSPEC was tested with two more-red absorbing DSC variations, one utilizing N719 dye with an I 3 –/I – redox mediatormore » solution and the other D35 dye with a tris(bipyridine)cobalt ([Co(bpy) 3] 3+/2+) based mediator. The tandem configuration consisting of the DSPEC and D35/[Co(bpy) 3] 3+/2+ based DSC gave the best overall performance and demonstrated the production of H 2 from H 2O with the only energy input from simulated solar illumination.« less

A Satellite Data-Driven, Client-Server Decision Support Application for Agricultural Water Resources Management

NASA Technical Reports Server (NTRS)

Johnson, Lee F.; Maneta, Marco P.; Kimball, John S.

2016-01-01

Water cycle extremes such as droughts and floods present a challenge for water managers and for policy makers responsible for the administration of water supplies in agricultural regions. In addition to the inherent uncertainties associated with forecasting extreme weather events, water planners need to anticipate water demands and water user behavior in a typical circumstances. This requires the use decision support systems capable of simulating agricultural water demand with the latest available data. Unfortunately, managers from local and regional agencies often use different datasets of variable quality, which complicates coordinated action. In previous work we have demonstrated novel methodologies to use satellite-based observational technologies, in conjunction with hydro-economic models and state of the art data assimilation methods, to enable robust regional assessment and prediction of drought impacts on agricultural production, water resources, and land allocation. These methods create an opportunity for new, cost-effective analysis tools to support policy and decision-making over large spatial extents. The methods can be driven with information from existing satellite-derived operational products, such as the Satellite Irrigation Management Support system (SIMS) operational over California, the Cropland Data Layer (CDL), and using a modified light-use efficiency algorithm to retrieve crop yield from the synergistic use of MODIS and Landsat imagery. Here we present an integration of this modeling framework in a client-server architecture based on the Hydra platform. Assimilation and processing of resource intensive remote sensing data, as well as hydrologic and other ancillary information occur on the server side. This information is processed and summarized as attributes in water demand nodes that are part of a vector description of the water distribution network. With this architecture, our decision support system becomes a light weight 'app' that connects to the server to retrieve the latest information regarding water demands, land use, yields and hydrologic information required to run different management scenarios. Furthermore, this architecture ensures all agencies and teams involved in water management use the same, up-to-date information in their simulations.

A satellite data-driven, client-server decision support application for agricultural water resources management

NASA Astrophysics Data System (ADS)

Maneta, M. P.; Johnson, L.; Kimball, J. S.

2016-12-01

Water cycle extremes such as droughts and floods present a challenge for water managers and for policy makers responsible for the administration of water supplies in agricultural regions. In addition to the inherent uncertainties associated with forecasting extreme weather events, water planners need to anticipate water demands and water user behavior in atypical circumstances. This requires the use decision support systems capable of simulating agricultural water demand with the latest available data. Unfortunately, managers from local and regional agencies often use different datasets of variable quality, which complicates coordinated action. In previous work we have demonstrated novel methodologies to use satellite-based observational technologies, in conjunction with hydro-economic models and state of the art data assimilation methods, to enable robust regional assessment and prediction of drought impacts on agricultural production, water resources, and land allocation. These methods create an opportunity for new, cost-effective analysis tools to support policy and decision-making over large spatial extents. The methods can be driven with information from existing satellite-derived operational products, such as the Satellite Irrigation Management Support system (SIMS) operational over California, the Cropland Data Layer (CDL), and using a modified light-use efficiency algorithm to retrieve crop yield from the synergistic use of MODIS and Landsat imagery. Here we present an integration of this modeling framework in a client-server architecture based on the Hydra platform. Assimilation and processing of resource intensive remote sensing data, as well as hydrologic and other ancillary information occur on the server side. This information is processed and summarized as attributes in water demand nodes that are part of a vector description of the water distribution network. With this architecture, our decision support system becomes a light weight `app` that connects to the server to retrieve the latest information regarding water demands, land use, yields and hydrologic information required to run different management scenarios. Furthermore, this architecture ensures all agencies and teams involved in water management use the same, up-to-date information in their simulations.

Shock waves generated by sudden expansions of a water jet

NASA Astrophysics Data System (ADS)

Salinas-Vázquez, M.; Echeverría, C.; Porta, D.; Stern, C. E.; Ascanio, G.; Vicente, W.; Aguayo, J. P.

2018-07-01

Direct shadowgraph with parallel light combined with high-speed recording has been used to analyze the water jet of a cutting machine. The use of image processing allowed observing sudden expansions in the jet diameter as well as estimating the jet velocity by means of the Mach angle, obtaining velocities of about 500 m s^{-1}. The technique used here revealed the development of hydrodynamic instabilities in the jet. Additionally, this is the first reporting of the onset of shock waves generated by small fluctuations of a continuous flow of water at high velocity surrounded by air, a result confirmed by a transient computational fluid dynamics simulation.

Special Features of Light Absorption by the Dimer of Bilayer Microparticles

NASA Astrophysics Data System (ADS)

Geints, Yu. É.; Panina, E. K.; Zemlyanov, A. A.

2018-05-01

Results of numerical simulation of light absorption by the dimer of bilayer spherical particles consisting of a water core and a polymer shell absorbing radiation are presented. The spatial distribution and the amplitude characteristics of the volume density of the absorbed power are investigated. It is shown that for a certain spatial dimer configuration, the maximal achievable density of the absorbed power is realized. It is also established that for closely spaced microcapsules with high shell absorption indices, the total power absorbed in the dimer volume can increase in comparison with the radiation absorption by two insulated microparticles.

How should leaf area, sapwood area and stomatal conductance vary with tree height to maximize growth?

PubMed

Buckley, Thomas N; Roberts, David W

2006-02-01

Conventional wisdom holds that the ratio of leaf area to sapwood area (L/S) should decline during height (H) growth to maintain hydraulic homeostasis and prevent stomatal conductance (g(s)) from declining. We contend that L/S should increase with H based on a numerical simulation, a mathematical analysis and a conceptual argument: (1) numerical simulation--a tree growth model, DESPOT (Deducing Emergent Structure and Physiology Of Trees), in which carbon (C) allocation is regulated to maximize C gain, predicts L/S should increase during most of H growth; (2) mathematical analysis--the formal criterion for optimal C allocation, applied to a simplified analytical model of whole tree carbon-water balance, predicts L/S should increase with H if leaf-level gas exchange parameters including g(s) are conserved; and (3) conceptual argument--photosynthesis is limited by several substitutable resources (chiefly nitrogen (N), water and light) and H growth increases the C cost of water transport but not necessarily of N and light capture, so if the goal is to maximize C gain or growth, allocation should shift in favor of increasing photosynthetic capacity and irradiance, rather than sustaining g(s). Although many data are consistent with the prediction that L/S should decline with H, many others are not, and we discuss possible reasons for these discrepancies.

Conformal Nitrogen-Doped TiO 2 Photocatalytic Coatings for Sunlight-Activated Membranes

DOE PAGES

Lee, Anna; Libera, Joseph A.; Waldman, Ruben Z.; ...

2017-01-24

Photocatalytic degradation of organic contaminants is enticing for addressing challenging, nontraditional water sources. A novel nitrogen-doping method is utilized to grow conformal titania coatings with visible-light activity on porous membranes. Here, the resulting membranes exhibit effective degradation of model organic species in simulated sunlight while at the same time requiring substantially lower transmembrane pressure than undoped membranes.

Competition for light and water in a coupled soil-plant system

DOE PAGES

Manoli, Gabriele; Huang, Cheng -Wei; Bonetti, Sara; ...

2017-08-14

Here, it is generally accepted that resource availability shapes the structure and function of many ecosystems. Within the soil-plant-atmosphere (SPA) system, resource availability fluctuates in space and time whereas access to resources by individuals is further impacted by plant-to-plant competition. Likewise, transport and transformation of resources within an individual plant is governed by numerous interacting biotic and abiotic processes. The work here explores the co-limitations on water losses and carbon uptake within the SPA arising from fluctuating resource availability and competition. In particular, the goal is to unfold the interplay between plant access and competition for water and light, asmore » well as the impact of transport/redistribution processes on leaf-level carbon assimilation and water fluxes within forest stands. A framework is proposed that couples a three-dimensional representation of soil-root exchanges with a one-dimensional description of stem water flow and storage, canopy photosynthesis, and transpiration. The model links soil moisture redistribution, root water uptake, xylem water flow and storage, leaf potential and stomatal conductance as driven by supply and demand for water and carbon. The model is then used to investigate plant drought resilience of overstory-understory trees simultaneously competing for water and light. Simulation results reveal that understory-overstory interactions increase ecosystem resilience to drought (i.e. stand-level carbon assimilation rates and water fluxes can be sustained at lower root-zone soil water potentials). This resilience enhancement originates from reduced transpiration (due to shading) and hydraulic redistribution in soil supporting photosynthesis over prolonged periods of drought. In particular, the presence of different rooting systems generates localized hydraulic redistribution fluxes that sustain understory transpiration through overstory-understory interactions. Such complex SPA dynamics cannot be properly summarized by equivalent ecosystem-scale Resistor-Capacitor (RC) rep- resentation. However our results show that, with proper averaging across water flow paths, RC models can provide reasonable estimates of stand-level water and carbon fluxes during inter-storm periods.« less

Competition for light and water in a coupled soil-plant system

NASA Astrophysics Data System (ADS)

Manoli, Gabriele; Huang, Cheng-Wei; Bonetti, Sara; Domec, Jean-Christophe; Marani, Marco; Katul, Gabriel

2017-10-01

It is generally accepted that resource availability shapes the structure and function of many ecosystems. Within the soil-plant-atmosphere (SPA) system, resource availability fluctuates in space and time whereas access to resources by individuals is further impacted by plant-to-plant competition. Likewise, transport and transformation of resources within an individual plant is governed by numerous interacting biotic and abiotic processes. The work here explores the co-limitations on water losses and carbon uptake within the SPA arising from fluctuating resource availability and competition. In particular, the goal is to unfold the interplay between plant access and competition for water and light, as well as the impact of transport/redistribution processes on leaf-level carbon assimilation and water fluxes within forest stands. A framework is proposed that couples a three-dimensional representation of soil-root exchanges with a one-dimensional description of stem water flow and storage, canopy photosynthesis, and transpiration. The model links soil moisture redistribution, root water uptake, xylem water flow and storage, leaf potential and stomatal conductance as driven by supply and demand for water and carbon. The model is then used to investigate plant drought resilience of overstory-understory trees simultaneously competing for water and light. Simulation results reveal that understory-overstory interactions increase ecosystem resilience to drought (i.e. stand-level carbon assimilation rates and water fluxes can be sustained at lower root-zone soil water potentials). This resilience enhancement originates from reduced transpiration (due to shading) and hydraulic redistribution in soil supporting photosynthesis over prolonged periods of drought. In particular, the presence of different rooting systems generates localized hydraulic redistribution fluxes that sustain understory transpiration through overstory-understory interactions. Such complex SPA dynamics cannot be properly summarized by equivalent ecosystem-scale Resistor-Capacitor (RC) representation. However our results show that, with proper averaging across water flow paths, RC models can provide reasonable estimates of stand-level water and carbon fluxes during inter-storm periods.

Competition for light and water in a coupled soil-plant system

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

Manoli, Gabriele; Huang, Cheng -Wei; Bonetti, Sara

Here, it is generally accepted that resource availability shapes the structure and function of many ecosystems. Within the soil-plant-atmosphere (SPA) system, resource availability fluctuates in space and time whereas access to resources by individuals is further impacted by plant-to-plant competition. Likewise, transport and transformation of resources within an individual plant is governed by numerous interacting biotic and abiotic processes. The work here explores the co-limitations on water losses and carbon uptake within the SPA arising from fluctuating resource availability and competition. In particular, the goal is to unfold the interplay between plant access and competition for water and light, asmore » well as the impact of transport/redistribution processes on leaf-level carbon assimilation and water fluxes within forest stands. A framework is proposed that couples a three-dimensional representation of soil-root exchanges with a one-dimensional description of stem water flow and storage, canopy photosynthesis, and transpiration. The model links soil moisture redistribution, root water uptake, xylem water flow and storage, leaf potential and stomatal conductance as driven by supply and demand for water and carbon. The model is then used to investigate plant drought resilience of overstory-understory trees simultaneously competing for water and light. Simulation results reveal that understory-overstory interactions increase ecosystem resilience to drought (i.e. stand-level carbon assimilation rates and water fluxes can be sustained at lower root-zone soil water potentials). This resilience enhancement originates from reduced transpiration (due to shading) and hydraulic redistribution in soil supporting photosynthesis over prolonged periods of drought. In particular, the presence of different rooting systems generates localized hydraulic redistribution fluxes that sustain understory transpiration through overstory-understory interactions. Such complex SPA dynamics cannot be properly summarized by equivalent ecosystem-scale Resistor-Capacitor (RC) rep- resentation. However our results show that, with proper averaging across water flow paths, RC models can provide reasonable estimates of stand-level water and carbon fluxes during inter-storm periods.« less

Evolution of circular and linear polarization in scattering environments

DOE PAGES

van der Laan, John D.; Wright, Jeremy Benjamin; Scrymgeour, David A.; ...

2015-12-02

This study quantifies the polarization persistence and memory of circularly polarized light in forward-scattering and isotropic (Rayleigh regime) environments; and for the first time, details the evolution of both circularly and linearly polarized states through scattering environments. Circularly polarized light persists through a larger number of scattering events longer than linearly polarized light for all forward-scattering environments; but not for scattering in the Rayleigh regime. Circular polarization’s increased persistence occurs for both forward and backscattered light. The simulated environments model polystyrene microspheres in water with particle diameters of 0.1 μm, 2.0 μm, and 3.0 μm. The evolution of the polarizationmore » states as they scatter throughout the various environments are illustrated on the Poincaré sphere after one, two, and ten scattering events.« less

Validation of an In-Water, Tower-Shading Correction Scheme

NASA Technical Reports Server (NTRS)

Hooker, Stanford B. (Editor); Firestone, Elaine R. (Editor); Doyle, John P.; Zibordi, Giuseppe; vanderLinde, Dirk

2003-01-01

Large offshore structures used for the deployment of optical instruments can significantly perturb the intensity of the light field surrounding the optical measurement point, where different portions of the visible spectrum are subject to different shadowing effects. These effects degrade the quality of the acquired optical data and can reduce the accuracy of several derived quantities, such as those obtained by applying bio-optical algorithms directly to the shadow-perturbed data. As a result, optical remote sensing calibration and validation studies can be impaired if shadowing artifacts are not fully accounted for. In this work, the general in-water shadowing problem is examined for a particular case study. Backward Monte Carlo (MC) radiative transfer computations- performed in a vertically stratified, horizontally inhomogeneous, and realistic ocean-atmosphere system are shown to accurately simulate the shadow-induced relative percent errors affecting the radiance and irradiance data profiles acquired close to an oceanographic tower. Multiparameter optical data processing has provided adequate representation of experimental uncertainties allowing consistent comparison with simulations. The more detailed simulations at the subsurface depth appear to be essentially equivalent to those obtained assuming a simplified ocean-atmosphere system, except in highly stratified waters. MC computations performed in the simplified system can be assumed, therefore, to accurately simulate the optical measurements conducted under more complex sampling conditions (i.e., within waters presenting moderate stratification at most). A previously reported correction scheme, based on the simplified MC simulations, and developed for subsurface shadow-removal processing of in-water optical data taken close to the investigated oceanographic tower, is then validated adequately under most experimental conditions. It appears feasible to generalize the present tower-specific approach to solve other optical sensor shadowing problems pertaining to differently shaped deployment platforms, and also including surrounding structures and instrument casings.

Tropical storm Irene flood of August 2011 in northwestern Massachusetts

USGS Publications Warehouse

Bent, Gardner C.; Olson, Scott A.; Massey, Andrew J.

2016-09-02

The simulated 1-percent AEP discharge water-surface elevations (nonregulatory) from recent (2015–16) hydraulic models for river reaches in the study area, which include the Deerfield, Green, and North Rivers in the Deerfield River Basin and the Hoosic River in the Hoosic River Basin, were compared with water-surface profiles in the FISs. The water-surface elevation comparisons were generally done downstream and upstream from bridges, dams, and major tributaries. The simulated 1-percent AEP discharge water-surface elevations of the recent hydraulic studies averaged 2.2, 2.3, 0.3, and 0.7 ft higher than water-surface elevations in the FISs for the Deerfield, Green, North, and Hoosic Rivers, respectively. The differences in water-surface elevations between the recent (2015–16) hydraulic studies and the FISs likely are because of (1) improved land elevation data from light detection and ranging (lidar) data collected in 2012, (2) detailed surveying of hydraulic structures and cross sections throughout the river reaches in 2012–13 (reflecting structure and cross section changes during the last 30–35 years), (3) updated hydrology analyses (30–35 water years of additional peak flow data at streamgages), and (4) high-water marks from the 2011 tropical storm Irene flood being used for model calibration.

In vitro optical detection of simulated blood pulse in a human tooth pulp model.

PubMed

Niklas, A; Hiller, K-A; Jaeger, A; Brandt, M; Putzger, J; Ermer, C; Schulz, I; Monkman, G; Giglberger, S; Hirmer, M; Danilov, S; Ganichev, S; Schmalz, G

2014-01-01

Noninvasive optical methods such as photoplethysmography, established for blood pulse detection in organs, have been proposed for vitality testing of human dental pulp. However, no information is available on the mechanism of action in a closed pulp chamber and on the impairing influence of other than pulpal blood flow sources. Therefore, the aim of the present in vitro study was to develop a device for the optical detection of pulpal blood pulse and to investigate the influence of different parameters (including gingival blood flow [GBF] simulation) on the derived signals. Air, Millipore water, human erythrocyte suspensions (HES), non-particulate hemoglobin suspension (NPHS), and lysed hemoglobin suspension (LHES) were pulsed through a flexible (silicone) or a rigid (glass) tube placed within an extracted human molar in a tooth-gingiva model. HES was additionally pulsed through a rigid tube around the tooth, simulating GBF alone or combined with the flow through the tooth by two separate peristaltic pumps. Light from high-power light-emitting diodes (625 nm (red) and 940 nm (infrared [IR]); Golden Dragon, Osram, Germany) was introduced to the coronal/buccal part of the tooth, and the signal amplitude [∆U, in volts] of transmitted light was detected by a sensor at the opposite side of the tooth. Signal processing was carried out by means of a newly developed blood pulse detector. Finally, experiments were repeated with the application of rubber dam (blue, purple, pink, and black), aluminum foil, and black antistatic plastic foil. Nonparametric statistical analysis was applied (n = 5; α = 0.05). Signals were obtained for HES and LHES, but not with air, Millipore water, or NPHS. Using a flexible tube, signals for HES were higher for IR compared to red light, whereas for the rigid tube, the signals were significantly higher for red light than for IR. In general, significantly less signal amplitude was recorded for HES with the rigid glass tube than with the flexible tube, but it was still enough to be detected. ∆U from gingiva compared to tooth was significantly lower for red light and higher for IR. Shielding the gingiva was effective for 940 nm light and negligible for 625 nm light. Pulpal blood pulse can be optically detected in a rigid environment such as a pulp chamber, but GBF may interfere with the signal and the shielding effect of the rubber dam depends on the light wavelength used. The optically based recording of blood pulse may be a suitable method for pulp vitality testing, if improvements in the differentiation between different sources of blood pulse are possible.

The facile synthesis of a single atom-dispersed silver-modified ultrathin g-C3N4 hybrid for the enhanced visible-light photocatalytic degradation of sulfamethazine with peroxymonosulfate.

PubMed

Wang, Fengliang; Wang, Yingfei; Li, Yanyan; Cui, Xuhui; Zhang, Qianxin; Xie, Zhijie; Liu, Haijin; Feng, Yiping; Lv, Wenying; Liu, Guoguang

2018-05-22

Enabling the optimal usage of solar energy is considered to be one of the most pressing challenges in the photocatalytic remediation of water resident contaminants. Herein, a single-atom dispersed Ag loaded ultrathin g-C3N4 hybrid (AgTCM/UCN) was prepared through a facile co-polymerization of dicyandiamide with silver tricyanomethanide (AgTCM) and NH4Cl, and used as a visible light driven photocatalyst for the degradation of sulfamethazine (SMT) in the presence of peroxymonosulfate (PMS). Under UV light, visible light and simulated sunlight irradiation, the AgTCM/UCN/PMS process showed higher efficiency for SMT degradation than AgTCM/UCN, UCN/PMS, and g-C3N4/PMS systems. This enhanced photocatalytic activity may be attributed to the synergistic effects encompassing the surface plasmon resonance (SPR) of Ag, high surface area of UCN, and efficient charge separation of PMS. Electron-spin resonance (ESR) and reactive species (RSs) scavenger-quenching experiments revealed that SO4˙- was generated following the addition of PMS, whereas O2˙- and h+ were predominantly responsible for the degradation of SMT. Three degradation pathways of SMT were deduced, including the cleavage of sulfonamide bonds, SO2 extrusion, and the oxidation of the aniline moiety, based on mass spectrometry and theoretical calculations. The degradation of SMT in ambient water revealed that the AgTCM/UCN/PMS photocatalytic process can be efficaciously applied for the remediation of SMT contaminated natural waters, particularly sea water.

Sensitivity of Multiangle, Multispectral Polarimetric Remote Sensing Over Open Oceans to Water-Leaving Radiance: Analyses of RSP Data Acquired During the MILAGRO Campaign

NASA Technical Reports Server (NTRS)

Chowdhary, Jacek; Cairns, Brian; Waquet, Fabien; Knobelspiesse, Kirk; Ottaviani, Matteo; Redemann, Jens; Travis, Larry; Mishchenko, Michael

2012-01-01

For remote sensing of aerosol over the ocean, there is a contribution from light scattered underwater. The brightness and spectrum of this light depends on the biomass content of the ocean, such that variations in the color of the ocean can be observed even from space. Rayleigh scattering by pure sea water, and Rayleigh-Gans type scattering by plankton, causes this light to be polarized with a distinctive angular distribution. To study the contribution of this underwater light polarization to multiangle, multispectral observations of polarized reflectance over ocean, we previously developed a hydrosol model for use in underwater light scattering computations that produces realistic variations of the ocean color and the underwater light polarization signature of pure sea water. In this work we review this hydrosol model, include a correction for the spectrum of the particulate scattering coefficient and backscattering efficiency, and discuss its sensitivity to variations in colored dissolved organic matter (CDOM) and in the scattering function of marine particulates. We then apply this model to measurements of total and polarized reflectance that were acquired over open ocean during the MILAGRO field campaign by the airborne Research Scanning Polarimeter (RSP). Analyses show that our hydrosol model faithfully reproduces the water-leaving contributions to RSP reflectance, and that the sensitivity of these contributions to Chlorophyll a concentration [Chl] in the ocean varies with the azimuth, height, and wavelength of observations. We also show that the impact of variations in CDOM on the polarized reflectance observed by the RSP at low altitude is comparable to or much less than the standard error of this reflectance whereas their effects in total reflectance may be substantial (i.e. up to >30%). Finally, we extend our study of polarized reflectance variations with [Chl] and CDOM to include results for simulated spaceborne observations.

Virtual reality to simulate large lighting with high efficiency LEDs

NASA Astrophysics Data System (ADS)

Blandet, Thierry; Coutelier, Gilles; Meyrueis, Patrick

2011-05-01

When a city or a local authority wishes to emphasize its historical heritage, for the lighting of its streets, setting up lights during the festive season, they call upon the skills of a lighting designer. The lighting designer proposes concepts, ideas, lighting, and to be able to present them, he makes use of simulation. On the other hand lighting technologies are evolving very rapidly and new lighting systems offer features that lighting designers are now integrating their projects. The street lights consume lot of energy; light projects are now taking into account the energy saving aspect. Lighting systems based on LEDs today provide good lighting needs, taking into account sustainable development issues while enabling new creative dimension. The lighting simulation can handle these parameters. Images or video simulation are no longer sufficient: stereoscopy and virtual reality techniques allow better communication and better understanding of projects. Virtual reality offers new possibilities of interaction, the freedom of movement in a scene, the presentation of variants or interactive simulations.

FRET-Mediated Long-Range Wavelength Transformation by Photoconvertible Fluorescent Proteins as an Efficient Mechanism to Generate Orange-Red Light in Symbiotic Deep Water Corals.

PubMed

Bollati, Elena; Plimmer, Daniel; D'Angelo, Cecilia; Wiedenmann, Jörg

2017-07-04

Photoconvertible fluorescent proteins (pcRFPs) are a group of fluorophores that undergo an irreversible green-to-red shift in emission colour upon irradiation with near-ultraviolet (near-UV) light. Despite their wide application in biotechnology, the high-level expression of pcRFPs in mesophotic and depth-generalist coral species currently lacks a biological explanation. Additionally, reduced penetration of near-UV wavelengths in water poses the question whether light-driven photoconversion is relevant in the mesophotic zone, or whether a different mechanism is involved in the post-translational pigment modification in vivo. Here, we show in a long-term mesocosm experiment that photoconversion in vivo is entirely dependent on near-UV wavelengths. However, a near-UV intensity equivalent to the mesophotic underwater light field at 80 m depth is sufficient to drive the process in vitro, suggesting that photoconversion can occur near the lower distribution limits of these corals. Furthermore, live coral colonies showed evidence of efficient Förster Resonance Energy Transfer (FRET). Our simulated mesophotic light field maintained the pcRFP pool in a partially photoconverted state in vivo, maximising intra-tetrameric FRET and creating a long-range wavelength conversion system with higher quantum yield than other native RFPs. We hypothesise that efficient conversion of blue wavelengths, abundant at depth, into orange-red light could constitute an adaptation of corals to life in light-limited environments.

FRET-Mediated Long-Range Wavelength Transformation by Photoconvertible Fluorescent Proteins as an Efficient Mechanism to Generate Orange-Red Light in Symbiotic Deep Water Corals

PubMed Central

Bollati, Elena; Plimmer, Daniel; D’Angelo, Cecilia; Wiedenmann, Jörg

2017-01-01

Photoconvertible fluorescent proteins (pcRFPs) are a group of fluorophores that undergo an irreversible green-to-red shift in emission colour upon irradiation with near-ultraviolet (near-UV) light. Despite their wide application in biotechnology, the high-level expression of pcRFPs in mesophotic and depth-generalist coral species currently lacks a biological explanation. Additionally, reduced penetration of near-UV wavelengths in water poses the question whether light-driven photoconversion is relevant in the mesophotic zone, or whether a different mechanism is involved in the post-translational pigment modification in vivo. Here, we show in a long-term mesocosm experiment that photoconversion in vivo is entirely dependent on near-UV wavelengths. However, a near-UV intensity equivalent to the mesophotic underwater light field at 80 m depth is sufficient to drive the process in vitro, suggesting that photoconversion can occur near the lower distribution limits of these corals. Furthermore, live coral colonies showed evidence of efficient Förster Resonance Energy Transfer (FRET). Our simulated mesophotic light field maintained the pcRFP pool in a partially photoconverted state in vivo, maximising intra-tetrameric FRET and creating a long-range wavelength conversion system with higher quantum yield than other native RFPs. We hypothesise that efficient conversion of blue wavelengths, abundant at depth, into orange-red light could constitute an adaptation of corals to life in light-limited environments. PMID:28677653

Simulation of a polarized laser beam reflected at the sea surface: modeling and validation

NASA Astrophysics Data System (ADS)

Schwenger, Frédéric

2015-05-01

A 3-D simulation of the polarization-dependent reflection of a Gaussian shaped laser beam on the dynamic sea surface is presented. The simulation considers polarized or unpolarized laser sources and calculates the polarization states upon reflection at the sea surface. It is suitable for the radiance calculation of the scene in different spectral wavebands (e.g. near-infrared, SWIR, etc.) not including the camera degradations. The simulation also considers a bistatic configuration of laser source and receiver as well as different atmospheric conditions. In the SWIR, the detected total power of reflected laser light is compared with data collected in a field trial. Our computer simulation combines the 3-D simulation of a maritime scene (open sea/clear sky) with the simulation of polarized or unpolarized laser light reflected at the sea surface. The basic sea surface geometry is modeled by a composition of smooth wind driven gravity waves. To predict the input of a camera equipped with a linear polarizer, the polarized sea surface radiance must be calculated for the specific waveband. The s- and p-polarization states are calculated for the emitted sea surface radiance and the specularly reflected sky radiance to determine the total polarized sea surface radiance of each component. The states of polarization and the radiance of laser light specularly reflected at the wind-roughened sea surface are calculated by considering the s- and p- components of the electric field of laser light with respect to the specular plane of incidence. This is done by using the formalism of their coherence matrices according to E. Wolf [1]. Additionally, an analytical statistical sea surface BRDF (bidirectional reflectance distribution function) is considered for the reflection of laser light radiances. Validation of the simulation results is required to ensure model credibility and applicability to maritime laser applications. For validation purposes, field measurement data (images and meteorological data) was analyzed. An infrared laser, with or without a mounted polarizer, produced laser beam reflection at the water surface and images were recorded by a camera equipped with a polarizer with horizontal or vertical alignment. The validation is done by numerical comparison of measured total laser power extracted from recorded images with the corresponding simulation results. The results of the comparison are presented for different incident (zenith/azimuth) angles of the laser beam and different alignment for the laser polarizers (vertical/horizontal/without) and the camera (vertical/horizontal).

Open-Source Integrated Design-Analysis Environment For Nuclear Energy Advanced Modeling & Simulation Final Scientific/Technical Report

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

O'Leary, Patrick

The framework created through the Open-Source Integrated Design-Analysis Environment (IDAE) for Nuclear Energy Advanced Modeling & Simulation grant has simplify and democratize advanced modeling and simulation in the nuclear energy industry that works on a range of nuclear engineering applications. It leverages millions of investment dollars from the Department of Energy's Office of Nuclear Energy for modeling and simulation of light water reactors and the Office of Nuclear Energy's research and development. The IDEA framework enhanced Kitware’s Computational Model Builder (CMB) while leveraging existing open-source toolkits and creating a graphical end-to-end umbrella guiding end-users and developers through the nuclear energymore » advanced modeling and simulation lifecycle. In addition, the work deliver strategic advancements in meshing and visualization for ensembles.« less

Best estimate plus uncertainty analysis of departure from nucleate boiling limiting case with CASL core simulator VERA-CS in response to PWR main steam line break event

DOE PAGES

Brown, Cameron S.; Zhang, Hongbin; Kucukboyaci, Vefa; ...

2016-09-07

VERA-CS (Virtual Environment for Reactor Applications, Core Simulator) is a coupled neutron transport and thermal-hydraulics subchannel code under development by the Consortium for Advanced Simulation of Light Water Reactors (CASL). VERA-CS was used to simulate a typical pressurized water reactor (PWR) full core response with 17x17 fuel assemblies for a main steam line break (MSLB) accident scenario with the most reactive rod cluster control assembly stuck out of the core. The accident scenario was initiated at the hot zero power (HZP) at the end of the first fuel cycle with return to power state points that were determined by amore » system analysis code and the most limiting state point was chosen for core analysis. The best estimate plus uncertainty (BEPU) analysis method was applied using Wilks’ nonparametric statistical approach. In this way, 59 full core simulations were performed to provide the minimum departure from nucleate boiling ratio (MDNBR) at the 95/95 (95% probability with 95% confidence level) tolerance limit. The results show that this typical PWR core remains within MDNBR safety limits for the MSLB accident.« less

Best estimate plus uncertainty analysis of departure from nucleate boiling limiting case with CASL core simulator VERA-CS in response to PWR main steam line break event

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

Brown, Cameron S.; Zhang, Hongbin; Kucukboyaci, Vefa

VERA-CS (Virtual Environment for Reactor Applications, Core Simulator) is a coupled neutron transport and thermal-hydraulics subchannel code under development by the Consortium for Advanced Simulation of Light Water Reactors (CASL). VERA-CS was used to simulate a typical pressurized water reactor (PWR) full core response with 17x17 fuel assemblies for a main steam line break (MSLB) accident scenario with the most reactive rod cluster control assembly stuck out of the core. The accident scenario was initiated at the hot zero power (HZP) at the end of the first fuel cycle with return to power state points that were determined by amore » system analysis code and the most limiting state point was chosen for core analysis. The best estimate plus uncertainty (BEPU) analysis method was applied using Wilks’ nonparametric statistical approach. In this way, 59 full core simulations were performed to provide the minimum departure from nucleate boiling ratio (MDNBR) at the 95/95 (95% probability with 95% confidence level) tolerance limit. The results show that this typical PWR core remains within MDNBR safety limits for the MSLB accident.« less

Ground-Water Conditions and Studies in the Albany Area of Dougherty County, Georgia, 2007

USGS Publications Warehouse

Gordon, Debbie W.

2008-01-01

The U.S. Geological Survey (USGS) has been working with the Albany Water, Gas, and Light Commission to monitor ground-water quality and availability since 1977. This report presents an overview of ground-water conditions and studies in the Albany area of Dougherty County, Georgia, during 2007. Historical data are also presented for comparison with 2007 data. Ongoing monitoring activities include continuous water-level recording in 24 wells and monthly water-level measurements in 5 wells. During 2007, water levels in 21 of the continuous-recording wells were below normal, corresponding to lower than average rainfall. Ground-water samples collected from the Upper Floridan aquifer indicate that nitrate levels have decreased or remained about the same since 2006. Water samples were collected from the Flint River and wells at the Albany wellfield, and data were plotted on a trilinear diagram to show the percent composition of selected major cations and anions. Ground-water constituents (major cations and anions) of the Upper Floridan aquifer at the Albany wellfield are distinctly different from those in the water of the Flint River. To improve the understanding of the ground-water flow system and nitrate movement in the Upper Floridan aquifer, the USGS is developing a ground-water flow model in the southwestern Albany area of Georgia. The model is being calibrated to simulate periods of dry (October 1999) and relatively wet (March 2001) hydrologic conditions. Preliminary water-level simulations indicate a generally good fit to measured water levels.

Simulation of Watts Bar Unit 1 Initial Startup Tests with Continuous Energy Monte Carlo Methods

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

Godfrey, Andrew T; Gehin, Jess C; Bekar, Kursat B

2014-01-01

The Consortium for Advanced Simulation of Light Water Reactors* is developing a collection of methods and software products known as VERA, the Virtual Environment for Reactor Applications. One component of the testing and validation plan for VERA is comparison of neutronics results to a set of continuous energy Monte Carlo solutions for a range of pressurized water reactor geometries using the SCALE component KENO-VI developed by Oak Ridge National Laboratory. Recent improvements in data, methods, and parallelism have enabled KENO, previously utilized predominately as a criticality safety code, to demonstrate excellent capability and performance for reactor physics applications. The highlymore » detailed and rigorous KENO solutions provide a reliable nu-meric reference for VERAneutronics and also demonstrate the most accurate predictions achievable by modeling and simulations tools for comparison to operating plant data. This paper demonstrates the performance of KENO-VI for the Watts Bar Unit 1 Cycle 1 zero power physics tests, including reactor criticality, control rod worths, and isothermal temperature coefficients.« less

Stability and accuracy of 3D neutron transport simulations using the 2D/1D method in MPACT

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

Collins, Benjamin, E-mail: collinsbs@ornl.gov; Stimpson, Shane, E-mail: stimpsonsg@ornl.gov; Kelley, Blake W., E-mail: kelleybl@umich.edu

2016-12-01

A consistent “2D/1D” neutron transport method is derived from the 3D Boltzmann transport equation, to calculate fuel-pin-resolved neutron fluxes for realistic full-core Pressurized Water Reactor (PWR) problems. The 2D/1D method employs the Method of Characteristics to discretize the radial variables and a lower order transport solution to discretize the axial variable. This paper describes the theory of the 2D/1D method and its implementation in the MPACT code, which has become the whole-core deterministic neutron transport solver for the Consortium for Advanced Simulations of Light Water Reactors (CASL) core simulator VERA-CS. Several applications have been performed on both leadership-class and industry-classmore » computing clusters. Results are presented for whole-core solutions of the Watts Bar Nuclear Power Station Unit 1 and compared to both continuous-energy Monte Carlo results and plant data.« less

Stability and accuracy of 3D neutron transport simulations using the 2D/1D method in MPACT

DOE PAGES

Collins, Benjamin; Stimpson, Shane; Kelley, Blake W.; ...

2016-08-25

We derived a consistent “2D/1D” neutron transport method from the 3D Boltzmann transport equation, to calculate fuel-pin-resolved neutron fluxes for realistic full-core Pressurized Water Reactor (PWR) problems. The 2D/1D method employs the Method of Characteristics to discretize the radial variables and a lower order transport solution to discretize the axial variable. Our paper describes the theory of the 2D/1D method and its implementation in the MPACT code, which has become the whole-core deterministic neutron transport solver for the Consortium for Advanced Simulations of Light Water Reactors (CASL) core simulator VERA-CS. We also performed several applications on both leadership-class and industry-classmore » computing clusters. Results are presented for whole-core solutions of the Watts Bar Nuclear Power Station Unit 1 and compared to both continuous-energy Monte Carlo results and plant data.« less

Spectro-polarimetry of Ice-dust Mixtures measured in the Laboratory with Application to the Solar System and Beyond

NASA Astrophysics Data System (ADS)

Poch, O.; Schmid, H. M.; Pommerol, A.; Jost, B.; Brouet, Y.; Thomas, N.

2015-12-01

Polarimetric observations of atmosphere-less Solar System bodies can give clues on the texture and on the physico-chemical composition of their surfaces, as reviewed by Mishchenko et al. (2010) and Bagnulo et al. (2011). Measurements performed in the laboratory on carefully characterized samples can provide reference data that can be used for direct comparison with remote-sensing polarimetric observations. In particular, we want to study the spectral dependence of the polarization and the way it is correlated or not with the surface albedo. In the Laboratory for Outflow Studies of Sublimating Materials (LOSSy) at the University of Bern, we have developed the capability to prepare and analyze optically thick analogues of planetary or cometary surfaces composed of water ice, minerals and carbonaceous compounds. Water-free dust of high porosity can also be produced by sublimation of ice under space-simulated conditions (Pommerol et al., 2015). Here, we present the first results of polarization measurements performed in the LOSSy. A Stokes polarimeter is used to measure the Stokes parameters describing the polarization of the visible light scattered by icy samples illuminated with a randomly polarized light simulating the star light. Additionally, a radio-goniometer, equipped with polarizers, can also measure the phase angle dependence of the linearly polarized scattered light. These measurements could provide interesting inputs to complement the theoretical models and predict or interpret spectro-polarimetric properties of Solar System objects and circumstellar disks. Mishchenko, M., et al., 2010, Polarimetric Remote Sensing of Solar System Objects. Bagnulo, S., et al., 2011, J. Quant. Spectrosc. Ra. 112, 2059. Pommerol, A., et al., 2015, Planet. Space Sci. 109-110, 106-122.

Photocatalytic degradation of the diazo dye naphthol blue black in water using MWCNT/Gd,N,S-TiO2 nanocomposites under simulated solar light.

PubMed

Mamba, Gcina; Mbianda, Xavier Yangkou; Mishra, Ajay Kumar

2015-07-01

A simple sol-gel method was employed to prepare gadolinium, nitrogen and sulphur tridoped titania decorated on oxidised multiwalled carbon nanotubes (MWCNT/Gd,N,S-TiO2), using titanium (IV) butoxide and thiourea as titanium and nitrogen and sulphur source, respectively. Samples of varying gadolinium loadings (0.2%, 0.6%, 1.0% and 3.0% Gd3+) relative to titania were prepared to investigate the effect of gadolinium loading and the amounts of carbon nanotubes, nitrogen and sulphur were kept constant for all the samples. Furthermore, the prepared nanocomposites were evaluated for the degradation of naphthol blue black (NBB) in water under simulated solar light irradiation. Higher degradation efficiency (95.7%) was recorded for the MWCNT/Gd,N,S-TiO2 (0.6% Gd) nanocomposites. The higher photocatalytic activity is attributed to the combined effect of improved visible light absorption and charge separation due to the synergistic effect of Gd, MWCNTs, N, S and TiO2. Total organic carbon (TOC) analysis revealed a higher degree of complete mineralisation of naphthol blue black (78.0% TOC removal) which minimises the possible formation of toxic degradation by-products such as the aromatic amines. The MWCNT/Gd,N,S-TiO2 (0.6% Gd) was fairly stable and could be re-used for five times, reaching a maximum degradation efficiency of 91.8% after the five cycles. Copyright © 2015. Published by Elsevier B.V.

Disordered Atom Molecular Potential for Water Parameterized against Neutron Diffraction Data. Application to the Structure of Ice Ih.

PubMed

Soper, Alan K

2015-07-23

A disordered atom molecular potential (DAMP) for water is described that accurately accounts for the observed neutron interference differential scattering cross sections for light water, heavy water, and two different mixtures of these liquids (x = 0.5 and x = 0.64, where x is the mole fraction of light water in the mixtures) at T = 283 K. This potential, when used in a NVT Monte Carlo computer simulation, produces an intermolecular pressure of ∼0 kbar and a configurational energy of approximately -50 kJ/mol, close to the values found in the ambient liquid at this temperature. The same potential is used as the reference potential in an empirical potential structure refinement of ice diffraction data at T = 258 K measured at the same time as the water data and under the same conditions. Particularly intriguing is the finding that the O···O-H angle in ice, which would be 0° for a linear hydrogen bond, is actually more disordered in ice than in the liquid. A rationalization of these findings is presented. It remains to be seen whether this potential has any value other than simply as a description of the ambient liquid structure.

Lamp-Lit Bridges as Dual Light-Traps for the Night-Swarming Mayfly, Ephoron virgo: Interaction of Polarized and Unpolarized Light Pollution

PubMed Central

Szaz, Denes; Horvath, Gabor; Barta, Andras; Robertson, Bruce A.; Farkas, Alexandra; Egri, Adam; Tarjanyi, Nikolett; Racz, Gergely; Kriska, Gyorgy

2015-01-01

Ecological photopollution created by artificial night lighting can alter animal behavior and lead to population declines and biodiversity loss. Polarized light pollution is a second type of photopollution that triggers water-seeking insects to ovisposit on smooth and dark man-made objects, because they simulate the polarization signatures of natural water bodies. We document a case study of the interaction of these two forms of photopollution by conducting observations and experiments near a lamp-lit bridge over the river Danube that attracts mass swarms of the mayfly Ephoron virgo away from the river to oviposit on the asphalt road of the bridge. Millions of mayflies swarmed near bridge-lights for two weeks. We found these swarms to be composed of 99% adult females performing their upstream compensatory flight and were attracted upward toward unpolarized bridge-lamp light, and away from the horizontally polarized light trail of the river. Imaging polarimetry confirmed that the asphalt surface of the bridge was strongly and horizontally polarized, providing a supernormal ovipositional cue to Ephoron virgo, while other parts of the bridge were poor polarizers of lamplight. Collectively, we confirm that Ephoron virgo is independently attracted to both unpolarized and polarized light sources, that both types of photopollution are being produced at the bridge, and that spatial patterns of swarming and oviposition are consistent with evolved behaviors being triggered maladaptively by these two types of light pollution. We suggest solutions to bridge and lighting design that should prevent or mitigate the impacts of such scenarios in the future. The detrimental impacts of such scenarios may extend beyond Ephoron virgo. PMID:25815748

Lamp-lit bridges as dual light-traps for the night-swarming mayfly, Ephoron virgo: interaction of polarized and unpolarized light pollution.

PubMed

Szaz, Denes; Horvath, Gabor; Barta, Andras; Robertson, Bruce A; Farkas, Alexandra; Egri, Adam; Tarjanyi, Nikolett; Racz, Gergely; Kriska, Gyorgy

2015-01-01

Ecological photopollution created by artificial night lighting can alter animal behavior and lead to population declines and biodiversity loss. Polarized light pollution is a second type of photopollution that triggers water-seeking insects to ovisposit on smooth and dark man-made objects, because they simulate the polarization signatures of natural water bodies. We document a case study of the interaction of these two forms of photopollution by conducting observations and experiments near a lamp-lit bridge over the river Danube that attracts mass swarms of the mayfly Ephoron virgo away from the river to oviposit on the asphalt road of the bridge. Millions of mayflies swarmed near bridge-lights for two weeks. We found these swarms to be composed of 99% adult females performing their upstream compensatory flight and were attracted upward toward unpolarized bridge-lamp light, and away from the horizontally polarized light trail of the river. Imaging polarimetry confirmed that the asphalt surface of the bridge was strongly and horizontally polarized, providing a supernormal ovipositional cue to Ephoron virgo, while other parts of the bridge were poor polarizers of lamplight. Collectively, we confirm that Ephoron virgo is independently attracted to both unpolarized and polarized light sources, that both types of photopollution are being produced at the bridge, and that spatial patterns of swarming and oviposition are consistent with evolved behaviors being triggered maladaptively by these two types of light pollution. We suggest solutions to bridge and lighting design that should prevent or mitigate the impacts of such scenarios in the future. The detrimental impacts of such scenarios may extend beyond Ephoron virgo.

Modeling plankton ecosystem functioning and nitrogen fluxes in the oligotrophic waters of the Beaufort Sea, Arctic Ocean: a focus on light-driven processes

NASA Astrophysics Data System (ADS)

Le Fouest, V.; Zakardjian, B.; Xie, H.; Raimbault, P.; Joux, F.; Babin, M.

2013-07-01

The Arctic Ocean (AO) undergoes profound changes of its physical and biotic environments due to climate change. In some areas of the Beaufort Sea, the stronger haline stratification observed in summer alters the plankton ecosystem structure, functioning and productivity, promoting oligotrophy. A one-dimension (1-D) physical-biological coupled model based on the large multiparametric database of the Malina project in the Beaufort Sea was used (i) to infer the plankton ecosystem functioning and related nitrogen fluxes and (ii) to assess the model sensitivity to key light-driven processes involved in nutrient recycling and phytoplankton growth. The coupled model suggested that ammonium photochemically produced from photosensitive dissolved organic nitrogen (i.e., photoammonification process) was a necessary nitrogen source to achieve the observed levels of microbial biomass and production. Photoammonification directly and indirectly (by stimulating the microbial food web activity) contributed to 70% and 18.5% of the 0-10 m and whole water column, respectively, simulated primary production (respectively 66% and 16% for the bacterial production). The model also suggested that variable carbon to chlorophyll ratios were required to simulate the observed herbivorous versus microbial food web competition and realistic nitrogen fluxes in the Beaufort Sea oligotrophic waters. In face of accelerating Arctic warming, more attention should be paid in the future to the mechanistic processes involved in food webs and functional group competition, nutrient recycling and primary production in poorly productive waters of the AO, as they are expected to expand rapidly.

Mass accommodation of water: bridging the gap between molecular dynamics simulations and kinetic condensation models.

PubMed

Julin, Jan; Shiraiwa, Manabu; Miles, Rachael E H; Reid, Jonathan P; Pöschl, Ulrich; Riipinen, Ilona

2013-01-17

The condensational growth of submicrometer aerosol particles to climate relevant sizes is sensitive to their ability to accommodate vapor molecules, which is described by the mass accommodation coefficient. However, the underlying processes are not yet fully understood. We have simulated the mass accommodation and evaporation processes of water using molecular dynamics, and the results are compared to the condensation equations derived from the kinetic gas theory to shed light on the compatibility of the two. Molecular dynamics simulations were performed for a planar TIP4P-Ew water surface at four temperatures in the range 268-300 K as well as two droplets, with radii of 1.92 and 4.14 nm at T = 273.15 K. The evaporation flux from molecular dynamics was found to be in good qualitative agreement with that predicted by the simple kinetic condensation equations. Water droplet growth was also modeled with the kinetic multilayer model KM-GAP of Shiraiwa et al. [Atmos. Chem. Phys. 2012, 12, 2777]. It was found that, due to the fast transport across the interface, the growth of a pure water droplet is controlled by gas phase diffusion. These facts indicate that the simple kinetic treatment is sufficient in describing pure water condensation and evaporation. The droplet size was found to have minimal effect on the value of the mass accommodation coefficient. The mass accommodation coefficient was found to be unity (within 0.004) for all studied surfaces, which is in agreement with previous simulation work. Additionally, the simulated evaporation fluxes imply that the evaporation coefficient is also unity. Comparing the evaporation rates of the mass accommodation and evaporation simulations indicated that the high collision flux, corresponding to high supersaturation, present in typical molecular dynamics mass accommodation simulations can under certain conditions lead to an increase in the evaporation rate. Consequently, in such situations the mass accommodation coefficient can be overestimated, but in the present cases the corrected values were still close to unity with the lowest value at ≈0.99.

Mass Accommodation of Water: Bridging the Gap Between Molecular Dynamics Simulations and Kinetic Condensation Models

PubMed Central

2012-01-01

The condensational growth of submicrometer aerosol particles to climate relevant sizes is sensitive to their ability to accommodate vapor molecules, which is described by the mass accommodation coefficient. However, the underlying processes are not yet fully understood. We have simulated the mass accommodation and evaporation processes of water using molecular dynamics, and the results are compared to the condensation equations derived from the kinetic gas theory to shed light on the compatibility of the two. Molecular dynamics simulations were performed for a planar TIP4P-Ew water surface at four temperatures in the range 268–300 K as well as two droplets, with radii of 1.92 and 4.14 nm at T = 273.15 K. The evaporation flux from molecular dynamics was found to be in good qualitative agreement with that predicted by the simple kinetic condensation equations. Water droplet growth was also modeled with the kinetic multilayer model KM-GAP of Shiraiwa et al. [Atmos. Chem. Phys.2012, 117, 2777]. It was found that, due to the fast transport across the interface, the growth of a pure water droplet is controlled by gas phase diffusion. These facts indicate that the simple kinetic treatment is sufficient in describing pure water condensation and evaporation. The droplet size was found to have minimal effect on the value of the mass accommodation coefficient. The mass accommodation coefficient was found to be unity (within 0.004) for all studied surfaces, which is in agreement with previous simulation work. Additionally, the simulated evaporation fluxes imply that the evaporation coefficient is also unity. Comparing the evaporation rates of the mass accommodation and evaporation simulations indicated that the high collision flux, corresponding to high supersaturation, present in typical molecular dynamics mass accommodation simulations can under certain conditions lead to an increase in the evaporation rate. Consequently, in such situations the mass accommodation coefficient can be overestimated, but in the present cases the corrected values were still close to unity with the lowest value at ≈0.99. PMID:23253100

Multi-level Modeling of Light-Induced Stomatal Opening Offers New Insights into Its Regulation by Drought

PubMed Central

Sun, Zhongyao; Jin, Xiaofen; Albert, Réka; Assmann, Sarah M.

2014-01-01

Plant guard cells gate CO2 uptake and transpirational water loss through stomatal pores. As a result of decades of experimental investigation, there is an abundance of information on the involvement of specific proteins and secondary messengers in the regulation of stomatal movements and on the pairwise relationships between guard cell components. We constructed a multi-level dynamic model of guard cell signal transduction during light-induced stomatal opening and of the effect of the plant hormone abscisic acid (ABA) on this process. The model integrates into a coherent network the direct and indirect biological evidence regarding the regulation of seventy components implicated in stomatal opening. Analysis of this signal transduction network identified robust cross-talk between blue light and ABA, in which [Ca2+]c plays a key role, and indicated an absence of cross-talk between red light and ABA. The dynamic model captured more than 1031 distinct states for the system and yielded outcomes that were in qualitative agreement with a wide variety of previous experimental results. We obtained novel model predictions by simulating single component knockout phenotypes. We found that under white light or blue light, over 60%, and under red light, over 90% of all simulated knockouts had similar opening responses as wild type, showing that the system is robust against single node loss. The model revealed an open question concerning the effect of ABA on red light-induced stomatal opening. We experimentally showed that ABA is able to inhibit red light-induced stomatal opening, and our model offers possible hypotheses for the underlying mechanism, which point to potential future experiments. Our modelling methodology combines simplicity and flexibility with dynamic richness, making it well suited for a wide class of biological regulatory systems. PMID:25393147

Track structure of protons and other light ions in liquid water: applications of the LIonTrack code at the nanometer scale.

PubMed

Bäckström, G; Galassi, M E; Tilly, N; Ahnesjö, A; Fernández-Varea, J M

2013-06-01

The LIonTrack (Light Ion Track) Monte Carlo (MC) code for the simulation of H(+), He(2+), and other light ions in liquid water is presented together with the results of a novel investigation of energy-deposition site properties from single ion tracks. The continuum distorted-wave formalism with the eikonal initial state approximation (CDW-EIS) is employed to generate the initial energy and angle of the electrons emitted in ionizing collisions of the ions with H2O molecules. The model of Dingfelder et al. ["Electron inelastic-scattering cross sections in liquid water," Radiat. Phys. Chem. 53, 1-18 (1998); "Comparisons of calculations with PARTRAC and NOREC: Transport of electrons in liquid water," Radiat. Res. 169, 584-594 (2008)] is linked to the general-purpose MC code PENELOPE/penEasy to simulate the inelastic interactions of the secondary electrons in liquid water. In this way, the extended PENELOPE/penEasy code may provide an improved description of the 3D distribution of energy deposits (EDs), making it suitable for applications at the micrometer and nanometer scales. Single-ionization cross sections calculated with the ab initio CDW-EIS formalism are compared to available experimental values, some of them reported very recently, and the theoretical electronic stopping powers are benchmarked against those recommended by the ICRU. The authors also analyze distinct aspects of the spatial patterns of EDs, such as the frequency of nearest-neighbor distances for various radiation qualities, and the variation of the mean specific energy imparted in nanoscopic targets located around the track. For 1 MeV/u particles, the C(6+) ions generate about 15 times more clusters of six EDs within an ED distance of 3 nm than H(+). On average clusters of two to three EDs for 1 MeV/u H(+) and clusters of four to five EDs for 1 MeV/u C(6+) could be expected for a modeling double strand break distance of 3.4 nm.

Runoff simulation in the Ferghana Valley (Central Asia) using conceptual hydrological HBV-light model

NASA Astrophysics Data System (ADS)

Radchenko, Iuliia; Breuer, Lutz; Forkutsa, Irina; Frede, Hans-Georg

2013-04-01

Glaciers and permafrost on the ranges of the Tien Shan mountain system are primary sources of water in the Ferghana Valley. The water artery of the valley is the Syr Darya River that is formed by confluence of the Naryn and Kara Darya rivers, which originate from the mountain glaciers of the Ak-Shyrak and the Ferghana ranges accordingly. The Ferghana Valley is densely populated and main activity of population is agriculture that heavily depends on irrigation especially in such arid region. The runoff reduction is projected in future due to global temperature rise and glacier shrinkage as a consequence. Therefore, it is essential to study climate change impact on water resources in the area both for ecological and economic aspects. The evaluation of comparative contribution of small upper catchments (n=24) with precipitation predominance in discharge and the large Naryn and Karadarya River basins, which are fed by glacial melt water, to the Fergana Valley water balance under current and future climatic conditions is general aim of the study. Appropriate understanding of the hydrological cycle under current climatic conditions is significant for prognosis of water resource availability in the future. Thus, conceptual hydrological HBV-light model was used for analysing of the water balance of the small upper catchments that surround the Ferghana Valley. Three trial catchments (the Kugart River basin, 1010 km²; the Kurshab River basin, 2010 km2; the Akbura River basin, 2260 km²) with relatively good temporal quality data were chosen to setup the model. Due to limitation of daily temperature data the MODAWEC weather generator, which converts monthly temperature data into daily based on correlation with rainfall, was tested and applied for the HBV-light model.

Measuring Human Performance in Simulated Nuclear Power Plant Control Rooms Using Eye Tracking

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

Kovesdi, Casey Robert; Rice, Brandon Charles; Bower, Gordon Ross

Control room modernization will be an important part of life extension for the existing light water reactor fleet. As part of modernization efforts, personnel will need to gain a full understanding of how control room technologies affect performance of human operators. Recent advances in technology enables the use of eye tracking technology to continuously measure an operator’s eye movement, which correlates with a variety of human performance constructs such as situation awareness and workload. This report describes eye tracking metrics in the context of how they will be used in nuclear power plant control room simulator studies.

Monte Carlo simulation of a novel water-equivalent electronic portal imaging device using plastic scintillating fibers.

PubMed

Teymurazyan, A; Pang, G

2012-03-01

Most electronic portal imaging devices (EPIDs) developed so far use a thin Cu plate/phosphor screen to convert x-ray energies into light photons, while maintaining a high spatial resolution. This results in a low x-ray absorption and thus a low quantum efficiency (QE) of approximately 2-4% for megavoltage (MV) x-rays. A significant increase of QE is desirable for applications such as MV cone-beam computed tomography (MV-CBCT). Furthermore, the Cu plate/phosphor screen contains high atomic number (high-Z) materials, resulting in an undesirable over-response to low energy x-rays (due to photoelectric effect) as well as high energy x-rays (due to pair production) when used for dosimetric verification. Our goal is to develop a new MV x-ray detector that has a high QE and uses low-Z materials to overcome the obstacles faced by current MV x-ray imaging technologies. A new high QE and low-Z EPID is proposed. It consists of a matrix of plastic scintillating fibers embedded in a water-equivalent medium and coupled to an optically sensitive 2D active matrix flat panel imager (AMFPI) for image readout. It differs from the previous approach that uses segmented crystalline scintillators made of higher density and higher atomic number materials to detect MV x-rays. The plastic scintillating fibers are focused toward the x-ray source to avoid image blurring due to oblique incidence of off-axis x-rays. When MV x-rays interact with the scintillating fibers in the detector, scintillation light will be produced. The light photons produced in a fiber core and emitted within the acceptance angle of the fiber will be guided toward the AMFPI by total internal reflection. A Monte Carlo simulation has been used to investigate imaging and dosimetric characteristics of the proposed detector under irradiation of MV x-rays. Properties, such as detection efficiency, modulation transfer function, detective quantum efficiency (DQE), energy dependence of detector response, and water-equivalence of dose response have been investigated. It has been found that the zero frequency DQE of the proposed detector can be up to 37% at 6 MV. The detector, also, is water-equivalent with a relatively uniform response to different energy x-rays as compared to current EPIDs. The results of our simulations show that, using plastic scintillating fibers, it is possible to construct a water-equivalent EPID that has a better energy response and a higher detection efficiency than current flat panel based EPIDs.

Towards a covariance matrix of CAB model parameters for H(H2O)

NASA Astrophysics Data System (ADS)

Scotta, Juan Pablo; Noguere, Gilles; Damian, José Ignacio Marquez

2017-09-01

Preliminary results on the uncertainties of hydrogen into light water thermal scattering law of the CAB model are presented. It was done through a coupling between the nuclear data code CONRAD and the molecular dynamic simulations code GROMACS. The Generalized Least Square method was used to adjust the model parameters on evaluated data and generate covariance matrices between the CAB model parameters.

Visual Simulation of Microalgae Growth in Bioregenerative Life Support System

NASA Astrophysics Data System (ADS)

Zhao, Ming

Bioregenerative life support system is one of the key technologies for future human deep space exploration and long-term space missions. BLSS use biological system as its core unit in combination with other physical and chemical equipments, under the proper control and manipulation by crew to complete a specific task to support life. Food production, waste treatment, oxygen and water regeneration are all conducted by higher plants or microalgae in BLSS, which is the most import characteristic different from other kinds of life support systems. Microalgae is light autotrophic micro-organisms, light undoubtedly is the most import factor which limits its growth and reproduction. Increasing or decreasing the light intensity changes the growth rate of microalgae, and then regulates the concentration of oxygen and carbon dioxide in the system. In this paper, based on the mathematical model of microalgae which grew under the different light intensity, three-dimensional visualization model was built and realized through using 3ds max, Virtools and some other three dimensional software, in order to display its change and impacting on oxygen and carbon dioxide intuitively. We changed its model structure and parameters, such as establishing closed-loop control system, light intensity, temperature and Nutrient fluid’s velocity and so on, carried out computer virtual simulation, and observed dynamic change of system with the aim of providing visualization support for system research.

Solar optics-based active panel for solar energy storage and disinfection of greywater.

PubMed

Lee, W; Song, J; Son, J H; Gutierrez, M P; Kang, T; Kim, D; Lee, L P

2016-09-01

Smart city and innovative building strategies are becoming increasingly more necessary because advancing a sustainable building system is regarded as a promising solution to overcome the depleting water and energy. However, current sustainable building systems mainly focus on energy saving and miss a holistic integration of water regeneration and energy generation. Here, we present a theoretical study of a solar optics-based active panel (SOAP) that enables both solar energy storage and photothermal disinfection of greywater simultaneously. Solar collector efficiency of energy storage and disinfection rate of greywater have been investigated. Due to the light focusing by microlens, the solar collector efficiency is enhanced from 25% to 65%, compared to that without the microlens. The simulation of greywater sterilization shows that 100% disinfection can be accomplished by our SOAP for different types of bacteria including Escherichia coli . Numerical simulation reveals that our SOAP as a lab-on-a-wall system can resolve the water and energy problem in future sustainable building systems.

Solar optics-based active panel for solar energy storage and disinfection of greywater

PubMed Central

Lee, W.; Song, J.; Son, J. H.; Gutierrez, M. P.; Kang, T.; Kim, D.; Lee, L. P.

2016-01-01

Smart city and innovative building strategies are becoming increasingly more necessary because advancing a sustainable building system is regarded as a promising solution to overcome the depleting water and energy. However, current sustainable building systems mainly focus on energy saving and miss a holistic integration of water regeneration and energy generation. Here, we present a theoretical study of a solar optics-based active panel (SOAP) that enables both solar energy storage and photothermal disinfection of greywater simultaneously. Solar collector efficiency of energy storage and disinfection rate of greywater have been investigated. Due to the light focusing by microlens, the solar collector efficiency is enhanced from 25% to 65%, compared to that without the microlens. The simulation of greywater sterilization shows that 100% disinfection can be accomplished by our SOAP for different types of bacteria including Escherichia coli. Numerical simulation reveals that our SOAP as a lab-on-a-wall system can resolve the water and energy problem in future sustainable building systems. PMID:27822328

How trees uptake carbon, release water and cool themselves in air: a marriage between biophysics and turbulent fluid dynamics

NASA Astrophysics Data System (ADS)

Banerjee, Tirtha; Linn, Rodman

2017-11-01

Resolving the role of the biosphere as a terrestrial carbon sink and the nature of nonlinear couplings between carbon and water cycles across a very wide range of spatiotemporal scales constitute the scope of this work. To achieve this goal, plant physiology models are coupled with atmospheric turbulence simulations. The plant biophysics code is based on the following principles: (1) a model for photosynthesis; (2) a mass transfer model through the laminar boundary layer on leaves; (3) an optimal leaf water use strategy regulated by stomatal aperture variation; (4) a leaf-level energy balance to accommodate evaporative cooling. Leaf-level outputs are upscaled to plant, canopy and landscape scales using HIGRAD/FIRETEC, a high fidelity large eddy simulation (LES) framework developed at LANL. The coupled biophysics-CFD code can take inputs such as wind speed, light availability, ambient CO2 concentration, air temperature, site characteristics etc. and can deliver predictions for leaf temperature, transpiration, carbon assimilation, sensible and latent heat flux, which is used to illustrate the complex the complex interaction between trees and their surrounding environments. These simulation capabilities are being used to study climate feedbacks of forests and agroecosystems.

Modeling and simulation challenges pursued by the Consortium for Advanced Simulation of Light Water Reactors (CASL)

NASA Astrophysics Data System (ADS)

Turinsky, Paul J.; Kothe, Douglas B.

2016-05-01

The Consortium for the Advanced Simulation of Light Water Reactors (CASL), the first Energy Innovation Hub of the Department of Energy, was established in 2010 with the goal of providing modeling and simulation (M&S) capabilities that support and accelerate the improvement of nuclear energy's economic competitiveness and the reduction of spent nuclear fuel volume per unit energy, and all while assuring nuclear safety. To accomplish this requires advances in M&S capabilities in radiation transport, thermal-hydraulics, fuel performance and corrosion chemistry. To focus CASL's R&D, industry challenge problems have been defined, which equate with long standing issues of the nuclear power industry that M&S can assist in addressing. To date CASL has developed a multi-physics ;core simulator; based upon pin-resolved radiation transport and subchannel (within fuel assembly) thermal-hydraulics, capitalizing on the capabilities of high performance computing. CASL's fuel performance M&S capability can also be optionally integrated into the core simulator, yielding a coupled multi-physics capability with untapped predictive potential. Material models have been developed to enhance predictive capabilities of fuel clad creep and growth, along with deeper understanding of zirconium alloy clad oxidation and hydrogen pickup. Understanding of corrosion chemistry (e.g., CRUD formation) has evolved at all scales: micro, meso and macro. CFD R&D has focused on improvement in closure models for subcooled boiling and bubbly flow, and the formulation of robust numerical solution algorithms. For multiphysics integration, several iterative acceleration methods have been assessed, illuminating areas where further research is needed. Finally, uncertainty quantification and data assimilation techniques, based upon sampling approaches, have been made more feasible for practicing nuclear engineers via R&D on dimensional reduction and biased sampling. Industry adoption of CASL's evolving M&S capabilities, which is in progress, will assist in addressing long-standing and future operational and safety challenges of the nuclear industry.

Pellet-clad mechanical interaction screening using VERA applied to Watts Bar Unit 1, Cycles 1–3

DOE PAGES

Stimpson, Shane; Powers, Jeffrey; Clarno, Kevin; ...

2017-12-22

The Consortium for Advanced Simulation of Light Water Reactors (CASL) aims to provide high-fidelity multiphysics simulations of light water nuclear reactors. To accomplish this, CASL is developing the Virtual Environment for Reactor Applications (VERA), which is a suite of code packages for thermal hydraulics, neutron transport, fuel performance, and coolant chemistry. As VERA continues to grow and expand, there has been an increased focus on incorporating fuel performance analysis methods. One of the primary goals of CASL is to estimate local cladding failure probability through pellet-clad interaction, which consists of both pellet-clad mechanical interaction (PCMI) and stress corrosion cracking. Estimatingmore » clad failure is important to preventing release of fission products to the primary system and accurate estimates could prove useful in establishing less conservative power ramp rates or when considering load-follow operations.While this capability is being pursued through several different approaches, the procedure presented in this article focuses on running independent fuel performance calculations with BISON using a file-based one-way coupling based on multicycle output data from high fidelity, pin-resolved coupled neutron transport–thermal hydraulics simulations. This type of approach is consistent with traditional fuel performance analysis methods, which are typically separate from core simulation analyses. A more tightly coupled approach is currently being developed, which is the ultimate target application in CASL.Recent work simulating 12 cycles of Watts Bar Unit 1 with VERA core simulator are capitalized upon, and quarter-core BISON results for parameters of interest to PCMI (maximum centerline fuel temperature, maximum clad hoop stress, and minimum gap size) are presented for Cycles 1–3. In conclusion, based on these results, this capability demonstrates its value and how it could be used as a screening tool for gathering insight into PCMI, singling out limiting rods for further, more detailed analysis.« less

Pellet-clad mechanical interaction screening using VERA applied to Watts Bar Unit 1, Cycles 1–3

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

Stimpson, Shane; Powers, Jeffrey; Clarno, Kevin

The Consortium for Advanced Simulation of Light Water Reactors (CASL) aims to provide high-fidelity multiphysics simulations of light water nuclear reactors. To accomplish this, CASL is developing the Virtual Environment for Reactor Applications (VERA), which is a suite of code packages for thermal hydraulics, neutron transport, fuel performance, and coolant chemistry. As VERA continues to grow and expand, there has been an increased focus on incorporating fuel performance analysis methods. One of the primary goals of CASL is to estimate local cladding failure probability through pellet-clad interaction, which consists of both pellet-clad mechanical interaction (PCMI) and stress corrosion cracking. Estimatingmore » clad failure is important to preventing release of fission products to the primary system and accurate estimates could prove useful in establishing less conservative power ramp rates or when considering load-follow operations.While this capability is being pursued through several different approaches, the procedure presented in this article focuses on running independent fuel performance calculations with BISON using a file-based one-way coupling based on multicycle output data from high fidelity, pin-resolved coupled neutron transport–thermal hydraulics simulations. This type of approach is consistent with traditional fuel performance analysis methods, which are typically separate from core simulation analyses. A more tightly coupled approach is currently being developed, which is the ultimate target application in CASL.Recent work simulating 12 cycles of Watts Bar Unit 1 with VERA core simulator are capitalized upon, and quarter-core BISON results for parameters of interest to PCMI (maximum centerline fuel temperature, maximum clad hoop stress, and minimum gap size) are presented for Cycles 1–3. In conclusion, based on these results, this capability demonstrates its value and how it could be used as a screening tool for gathering insight into PCMI, singling out limiting rods for further, more detailed analysis.« less

Computer simulation of the probability that endangered whales will interact with oil spills

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

Reed, M.; Jayko, K.; Bowles, A.

1987-03-01

A numerical model system was developed to assess quantitatively the probability that endangered bowhead and gray whales will encounter spilled oil in Alaskan waters. Bowhead and gray whale migration and diving-surfacing models, and an oil-spill trajectory model comprise the system. The migration models were developed from conceptual considerations, then calibrated with and tested against observations. The movement of a whale point is governed by a random walk algorithm which stochastically follows a migratory pathway. The oil-spill model, developed under a series of other contracts, accounts for transport and spreading behavior in open water and in the presence of sea ice.more » Historical wind records and heavy, normal, or light ice cover data sets are selected at random to provide stochastic oil-spill scenarios for whale-oil interaction simulations.« less

Confronting a Process-based Model of Temperate Tree Transpiration with Data from Forests in Central Panama Exposed to Drought

NASA Astrophysics Data System (ADS)

Ewers, B. E.; Bretfeld, M.; Millar, D.; Hall, J. S.; Beverly, D.; Hall, J. S.; Ogden, F. L.; Mackay, D. S.

2016-12-01

Process-based models of tree impacts on the hydrologic cycle must include not only plant hydraulic limitations but also photosynthetic controls because plants lose water to gain carbon. The Terrestrial Regional Ecosystem Exchange Simulator (TREES) is one such model. TREES includes a Bayesian model-data fusion approach that provides rigorous tests of patterns in tree transpiration data against biophysical processes in the model. TREES has been extensively tested against many temperate tree data sets including those experiencing severe and lethal drought. We test TREES against data from sap flow-scaled transpiration in 76 tropical trees (representing 42 different species) in secondary forests of three different ages (8, 25, and 80+ years) located in the Panama Canal Watershed. These data were collected during the third driest El Niño-Southern Oscillation (ENSO) event on record in Panama during 2015/2016. Tree transpiration response to vapor pressure deficit and solar radiation was the same in the two older forests, but showed an additional response to limited soil moisture in the youngest forest. Volumetric water content at 30 and 50 cm depths was 8% lower in the 8 year old forest than in the 80+ year old forest. TREES could not simulate this difference in soil moisture without increasing simulated root area. TREES simulations were improved by including light response curves of leaf photosynthesis, root vulnerability to cavitation and canopy position impacts on light. TREES was able to simulate the anisohydric (loose stomatal regulation of leaf water potential) and isohydric (tight stomatal regulation) of the 73 trees species a priori indicating that species level information is not required. Analyses of posterior probability distributions indicates TREES model predictions of individual tree transpiration would likely be improved with more detailed root and soil moisture in all forest ages data with the most improvement likely in the 8 year old forest. Our results suggest that a biophysical tree transpiration model developed in temperate forests can be applied to the tropics and could be used to improve predictions of evapotranspiration from changing land cover in tropical hydrology models.

Methods for assessing the impacts of ultraviolet-B radiation on aquatic invertebrates

USGS Publications Warehouse

Hurtubise, R.D.; Little, Edward E.; Havel, J.E.; Little, Edward E.; Greenberg, Bruce M.; Delonay, Aaron J.

1998-01-01

A standard methodology for assessing the impacts of simulated solar ultraviolet-B radiation (UV-B) on aquatic invertebrates was established. A solar simulator was used to expose a variety of aquatic invertebrates to different levels of UV-B. The simulator was calibrated as close as possible to match local ambient solar radiation measured in and out of water with a scanning spectroradiometer. A series of repeated exposures were conducted to determine the effects of UV-B on two species of Ceriodaphnia. Survivorship of C. reticulata declined with increasing UV-B with 100% mortality occurring after four daily 5 hr exposures to a UV-B irradiance that was 14% of ambient sunlight (40.8/μW/cm2) and 70% mortality for C. dubia after seven days of an exposure to 5% of ambient (14.5μW/cm2). Significant reductions in fertility (#young/adult) was observed in both low and high light adapted individuals with low light individuals appearing to be more sensitive. This methodology allowed us to make comparisons to natural conditions in aquatic habitats and to make risk assessments for individual species.

Sensitive determination of mercury by a miniaturized spectrophotometer after in situ single-drop microextraction.

PubMed

Yang, Fangwen; Liu, Rui; Tan, Zhiqiang; Wen, Xiaodong; Zheng, Chengbin; Lv, Yi

2010-11-15

An in situ single-drop microextraction (SDME) method was developed for trace mercury determination by a miniaturized spectrophotometer, in which a simple and cheap light-emitting diode (LED) was employed as the light source, and a handheld charge coupled device (CCD) was served as the detector. A droplet of 0.006% dithizone-CCl(4) (m/v) was used as extraction phase and hanged on a rolled PTFE tube. LED light was adjusted carefully to pass through the centre of the droplet and the entrance slit of the CCD detector. The radiation intensities of 475 nm before and after SDME (I(0) and I(i)) were recorded for quantification. Under the optimum conditions, the system provided a linear range of 2-50 μg L(-1), with a correlation coefficient of 0.9983 and a limit of detection (3σ) of 0.2 μg L(-1). The enrichment factor was about 69. The present method showed the merits of high sensitivity, simplicity, rapidity, low reagent consumption and field analysis potential. Finally, this method was successfully applied for the determination of the total mercury in spiked tap water sample, spiked river water sample and certified reference material (GBW (E) 080393, simulated water). Copyright © 2010 Elsevier B.V. All rights reserved.

Optical Fiber Illumination System for visual flight simulation

NASA Technical Reports Server (NTRS)

Hollow, R. H.

1981-01-01

An electronically controlled lighting system simulating runway, aircraft carrier, and landing aid lights for flight simulations is described. The various colored lights that would be visible to a pilot by day, at dusk, or at night are duplicated at the distances the lights would normally become visible. Plastic optical fiber illuminators using tungsten halogen lights are distributed behind the model. The tips of the fibers of illuminators simulating runway lights are bevelled in order that they may be seen from long distances and at low angles. Fibers representing taxiway lights are pointed and polished for omni-directional visibility. The electronic intensity controls, which can be operated either manually or remotely, regulate the intensity of the lights to simulate changes in distance. A dichronic mirror, infrared filter system is used to maintain color integrity.

Aniline chlorination by in situ formed Ag-Cl complexes under simulated solar light irradiation.

PubMed

Hu, Xuefeng; Wang, Xiaowen; Dong, Liuliu; Chang, Fei; Luo, Yongming

2015-01-01

Ag speciation in a chloride medium was dependent upon the Cl/Ag ratio after releasing into surface water. In this study, the photoreaction of in situ formed Ag-Cl species and their effects on aniline photochlorination were systematically investigated. Our results suggested that formation of chloroaniline was strongly relevant to the Cl/Ag ratio and could be interpreted using the thermodynamically expected speciation of Ag in the presence of Cl-. AgCl was the main species responsible for the photochlorination of aniline. Both photoinduced hole and •OH drove the oxidation of Cl- to radical •Cl, which promoted the chlorination of aniline. Ag0 formation was observed from the surface plasmon resonance absorption during AgCl photoreaction. This study revealed that Ag+ released into Cl--containing water may result in the formation of chlorinated intermediates of organic compounds under solar light irradiation.

Numerical study on trapping and guiding of nanoparticles in a flow using scattering field of laser light

NASA Astrophysics Data System (ADS)

Yokoi, Naomichi; Aizu, Yoshihisa

2018-01-01

Optical trapping and guiding using laser have been proven to be useful for non-contact and non-invasive manipulation of small objects such as biological cells, organelles within cells, and dielectric particles. We have numerically investigated so far the motion of a Brownian particle suspended in still water under the illumination of a speckle pattern generated by the interference of coherent light scattered by a rough object. In the present study, we investigate numerically the motion of a particle in a water flow under the illumination of a speckle pattern that is at rest or in motion. Trajectory of the particle is simulated in relation with its size, flow velocity, maximum irradiance, and moving velocity of the speckle pattern to confirm the feasibility of the present method for performing optical trapping and guiding of the particle in the flow.

Numerical study on trapping and guiding of nanoparticles in a flow using scattering field of laser light

NASA Astrophysics Data System (ADS)

Yokoi, Naomichi; Aizu, Yoshihisa

2018-06-01

Optical trapping and guiding using laser have been proven to be useful for non-contact and non-invasive manipulation of small objects such as biological cells, organelles within cells, and dielectric particles. We have numerically investigated so far the motion of a Brownian particle suspended in still water under the illumination of a speckle pattern generated by the interference of coherent light scattered by a rough object. In the present study, we investigate numerically the motion of a particle in a water flow under the illumination of a speckle pattern that is at rest or in motion. Trajectory of the particle is simulated in relation with its size, flow velocity, maximum irradiance, and moving velocity of the speckle pattern to confirm the feasibility of the present method for performing optical trapping and guiding of the particle in the flow.

Polyaniline nanotubes coated with TiO2&γ-Fe2O3@graphene oxide as a novel and effective visible light photocatalyst for removal of rhodamine B from water

NASA Astrophysics Data System (ADS)

Ghavami, Monireh; Kassaee, Mohammad Zaman; Mohammadi, Reza; Koohi, Maryam; Haerizadeh, Bibi Narjes

2014-12-01

Synthesis of polyaniline-nanotubes (PANI-NT), in the presence of TiO2 and γ-Fe2O3 functionalized graphene oxide (GO), gives a green and magnetically recyclable photocatalyst, TiO2&γ-Fe2O3@GO/PANI-NT. The later orchestrates 94% photocatalytic efficiency in removal of rhodamine B (RB) from water, under simulated solar light irradiation. This is far higher than the 36% observed in the presence of TiO2&γ-Fe2O3@GO alone, where PANI-NT is excluded from the structure. Morphology, composition, and structural properties of our economically sound photocatalyst are characterized by X-ray diffraction, energy-dispersive X-ray spectroscopy, thermo-gravimetric, transmission electron microscopy, inductively coupled plasma, RAMAN and Fourier-transform infrared spectroscopy.

Computational insights of water droplet transport on graphene sheet with chemical density

NASA Astrophysics Data System (ADS)

Zhang, Liuyang; Wang, Xianqiao

2014-05-01

Surface gradient has been emerging as an intriguing technique for nanoscale particle manipulation and transportation. Owing to its outstanding and stable chemical properties, graphene with covalently bonded chemical groups represents extraordinary potential for the investigation of nanoscale transport in the area of physics and biology. Here, we employ molecular dynamics simulations to investigate the fundamental mechanism of utilizing a chemical density on a graphene sheet to control water droplet motions on it. Simulation results have demonstrated that the binding energy difference among distinct segment of graphene in terms of interaction between the covalently bonded oxygen atoms on graphene and the water molecules provides a fundamental driving force to transport the water droplet across the graphene sheet. Also, the velocity of the water droplet has showed a strong dependence on the relative concentration of oxygen atoms between successive segments. Furthermore, a multi-direction channel provides insights to guide the transportation of objects towards a targeted position, separating the mixtures with a system of specific chemical functionalization. Our findings shed illuminating lights on the surface gradient method and therefore provide a feasible way to control nanoscale motion on the surface and mimic the channelless microfluidics.

Perspective: Watching low-frequency vibrations of water in biomolecular recognition by THz spectroscopy.

PubMed

Xu, Yao; Havenith, Martina

2015-11-07

Terahertz (THz) spectroscopy has turned out to be a powerful tool which is able to shed new light on the role of water in biomolecular processes. The low frequency spectrum of the solvated biomolecule in combination with MD simulations provides deep insights into the collective hydrogen bond dynamics on the sub-ps time scale. The absorption spectrum between 1 THz and 10 THz of solvated biomolecules is sensitive to changes in the fast fluctuations of the water network. Systematic studies on mutants of antifreeze proteins indicate a direct correlation between biological activity and a retardation of the (sub)-ps hydration dynamics at the protein binding site, i.e., a "hydration funnel." Kinetic THz absorption studies probe the temporal changes of THz absorption during a biological process, and give access to the kinetics of the coupled protein-hydration dynamics. When combined with simulations, the observed results can be explained in terms of a two-tier model involving a local binding and a long range influence on the hydration bond dynamics of the water around the binding site that highlights the significance of the changes in the hydration dynamics at recognition site for biomolecular recognition. Water is shown to assist molecular recognition processes.

Perspective: Watching low-frequency vibrations of water in biomolecular recognition by THz spectroscopy

NASA Astrophysics Data System (ADS)

Xu, Yao; Havenith, Martina

2015-11-01

Terahertz (THz) spectroscopy has turned out to be a powerful tool which is able to shed new light on the role of water in biomolecular processes. The low frequency spectrum of the solvated biomolecule in combination with MD simulations provides deep insights into the collective hydrogen bond dynamics on the sub-ps time scale. The absorption spectrum between 1 THz and 10 THz of solvated biomolecules is sensitive to changes in the fast fluctuations of the water network. Systematic studies on mutants of antifreeze proteins indicate a direct correlation between biological activity and a retardation of the (sub)-ps hydration dynamics at the protein binding site, i.e., a "hydration funnel." Kinetic THz absorption studies probe the temporal changes of THz absorption during a biological process, and give access to the kinetics of the coupled protein-hydration dynamics. When combined with simulations, the observed results can be explained in terms of a two-tier model involving a local binding and a long range influence on the hydration bond dynamics of the water around the binding site that highlights the significance of the changes in the hydration dynamics at recognition site for biomolecular recognition. Water is shown to assist molecular recognition processes.

A visible Chinese human-combined Monte Carlo simulation study on low-level light therapy of stroke

NASA Astrophysics Data System (ADS)

Wang, Pengbo; Pan, Boan; Zhong, Fulin; Li, Ting

2017-02-01

Stroke is a devastating disease, which is the third leading cause of death and disability worldwide. Although the incidence of stroke increases progressively with age, morbidity among young and middle-aged adults is increasing annually. Medications nevertheless remain the bulwarks of stroke. The treatment is ineffective, speculative and has a long treatment cycle. The function of acupuncture and moxibustion, which are potential therapeutic tools for stroke, is still controversial. Recently, Low-level light therapy (LLLT) has been demonstrated potent in vivo efficacy for treatment of ischemic conditions of acute myocardial infraction and stroke in multiple validated animal models. Optimum LLLT treatment has a dominant influence on therapy of stroke. While more than a thousand clinical trials have been halted, only a few trials on animals have been reported. We addressed this issue by simulating near-infrared light propagation with accurate visible Chinese human head by Monte Carlo modeling. The visible human head embody region of atherosclerotic plaques in head. Through comparing the light propagation of different light illumination, we can get a precise, optimized and straightforward treatment. Here, we developed a LLLT helmet for treating stroke depend on near-infrared light. There are more than 30 LED arrays in in multi-layered 3D printed helmet. Each LED array has independent water-cooling module and can be adjusted to touch the head of different subjects based on Electro pneumatic module. Moreover, the software provides the setup of illumination parameters and 3D distribution of light fluence rate distribution in human brain.

Simulation of laser beam reflection at the sea surface modeling and validation

NASA Astrophysics Data System (ADS)

Schwenger, Frédéric; Repasi, Endre

2013-06-01

A 3D simulation of the reflection of a Gaussian shaped laser beam on the dynamic sea surface is presented. The simulation is suitable for the pre-calculation of images for cameras operating in different spectral wavebands (visible, short wave infrared) for a bistatic configuration of laser source and receiver for different atmospheric conditions. In the visible waveband the calculated detected total power of reflected laser light from a 660nm laser source is compared with data collected in a field trial. Our computer simulation comprises the 3D simulation of a maritime scene (open sea/clear sky) and the simulation of laser beam reflected at the sea surface. The basic sea surface geometry is modeled by a composition of smooth wind driven gravity waves. To predict the view of a camera the sea surface radiance must be calculated for the specific waveband. Additionally, the radiances of laser light specularly reflected at the wind-roughened sea surface are modeled considering an analytical statistical sea surface BRDF (bidirectional reflectance distribution function). Validation of simulation results is prerequisite before applying the computer simulation to maritime laser applications. For validation purposes data (images and meteorological data) were selected from field measurements, using a 660nm cw-laser diode to produce laser beam reflection at the water surface and recording images by a TV camera. The validation is done by numerical comparison of measured total laser power extracted from recorded images with the corresponding simulation results. The results of the comparison are presented for different incident (zenith/azimuth) angles of the laser beam.

Theoretical and experimental characterization of novel water-equivalent plastics in clinical high-energy carbon-ion beams

NASA Astrophysics Data System (ADS)

Lourenço, A.; Wellock, N.; Thomas, R.; Homer, M.; Bouchard, H.; Kanai, T.; MacDougall, N.; Royle, G.; Palmans, H.

2016-11-01

Water-equivalent plastics are frequently used in dosimetry for experimental simplicity. This work evaluates the water-equivalence of novel water-equivalent plastics specifically designed for light-ion beams, as well as commercially available plastics in a clinical high-energy carbon-ion beam. A plastic- to-water conversion factor {{H}\\text{pl,w}} was established to derive absorbed dose to water in a water phantom from ionization chamber readings performed in a plastic phantom. Three trial plastic materials with varying atomic compositions were produced and experimentally characterized in a high-energy carbon-ion beam. Measurements were performed with a Roos ionization chamber, using a broad un-modulated beam of 11  ×  11 cm2, to measure the plastic-to-water conversion factor for the novel materials. The experimental results were compared with Monte Carlo simulations. Commercially available plastics were also simulated for comparison with the plastics tested experimentally, with particular attention to the influence of nuclear interaction cross sections. The measured H\\text{pl,w}\\exp correction increased gradually from 0% at the surface to 0.7% at a depth near the Bragg peak for one of the plastics prepared in this work, while for the other two plastics a maximum correction of 0.8%-1.3% was found. Average differences between experimental and numerical simulations were 0.2%. Monte Carlo results showed that for polyethylene, polystyrene, Rando phantom soft tissue and A-150, the correction increased from 0% to 2.5%-4.0% with depth, while for PMMA it increased to 2%. Water-equivalent plastics such as, Plastic Water, RMI-457, Gammex 457-CTG, WT1 and Virtual Water, gave similar results where maximum corrections were of the order of 2%. Considering the results from Monte Carlo simulations, one of the novel plastics was found to be superior in comparison with the plastic materials currently used in dosimetry, demonstrating that it is feasible to tailor plastic materials to be water-equivalent for carbon ions specifically.

Saltation movement of large spherical particles

NASA Astrophysics Data System (ADS)

Chara, Z.; Dolansky, J.; Kysela, B.

2017-07-01

The paper presents experimental and numerical investigations of the saltation motion of a large spherical particle in an open channel. The channel bottom was roughed by one layer of glass rods of diameter 6 mm. The plastic spheres of diameter 25.7 mm and density 1160 kgm-3 were fed into the water channel and theirs positions were viewed by a digital camera. Two light sheets were placed above and under the channel, so the flow was simultaneously lighted from the top and the bottom. Only particles centers of which moved through the light sheets were recorded. Using a 2D PIV method the trajectories of the spheres and the velocity maps of the channel flow were analyzed. The Lattice-Boldzmann Method (LBM) was used to simulate the particle motion.

Application of a tree-level hydrodynamic model to simulate plot-level transpiration in the upland oak/pine forest in New Jersey

NASA Astrophysics Data System (ADS)

Mirfenderesgi, G.; Bohrer, G.; Matheny, A. M.; Fatichi, S.; Frasson, R. P. M.; Schafer, K. V.

2015-12-01

The Finite-Elements Tree-Crown Hydrodynamics model version 2 (FETCH2) simulates water flow through the tree using the porous media analogy. Empirical equations relate water potential within the stem to stomatal conductance at the leaf level. Leaves are connected to the stem at each height. While still simplified, this approach brings realism to the simulation of transpiration compared with models where stomatal conductance is directly linked to soil moisture. The FETCH2 model accounts for plant hydraulic traits such as xylem conductivity, area of hydro-active xylem, vertical distribution of leaf area, and maximal and minimal xylem water content, and their effect on the dynamics of water flow in the tree system. Such a modeling tool enhances our understanding of the role of hydraulic limitations and allows us to incorporate the effects of short-term water stresses on transpiration. Here, we use FETCH2 parameterized and evaluated with a large sap-flow observations data set, collected from 21 trees of two genera (oak/pine) at Silas Little Experimental Forest, NJ. The well-drained deep sandy soil leads to water stress during many days throughout the growing season. We conduct a set of tree-level transpiration simulations, and use the results to evaluate the effects of different hydraulic strategies on daily transpiration and water use efficiency. We define these "hydraulic strategies" through combinations of multiple sets of parameters in the model that describe the root, stem and leaf hydraulics. After evaluating the performance of the model, we use the results to shed light on the future trajectory of the forest in terms of species-specific transpiration responses. Application of the model on the two co-occurring oak species (Quercus prinus L. and Quercus velutina Lam) shows that the applied modeling approach was successfully captures the differences in water-use strategy through optimizing multiple physiological and hydraulic parameters.

Development of a New 47-Group Library for the CASL Neutronics Simulators

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

Kim, Kang Seog; Williams, Mark L; Wiarda, Dorothea

The CASL core simulator MPACT is under development for the neutronics and thermal-hydraulics coupled simulation for the pressurized light water reactors. The key characteristics of the MPACT code include a subgroup method for resonance self-shielding, and a whole core solver with a 1D/2D synthesis method. The ORNL AMPX/SCALE code packages have been significantly improved to support various intermediate resonance self-shielding approximations such as the subgroup and embedded self-shielding methods. New 47-group AMPX and MPACT libraries based on ENDF/B-VII.0 have been generated for the CASL core simulator MPACT of which group structure comes from the HELIOS library. The new 47-group MPACTmore » library includes all nuclear data required for static and transient core simulations. This study discusses a detailed procedure to generate the 47-group AMPX and MPACT libraries and benchmark results for the VERA progression problems.« less

User guidelines and best practices for CASL VUQ analysis using Dakota.

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

Adams, Brian M.; Swiler, Laura Painton; Hooper, Russell

2014-03-01

Sandia's Dakota software (available at http://dakota.sandia.gov) supports science and engineering transformation through advanced exploration of simulations. Specifically it manages and analyzes ensembles of simulations to provide broader and deeper perspective for analysts and decision makers. This enables them to enhance understanding of risk, improve products, and assess simulation credibility. This manual offers Consortium for Advanced Simulation of Light Water Reactors (LWRs) (CASL) partners a guide to conducting Dakota-based VUQ studies for CASL problems. It motivates various classes of Dakota methods and includes examples of their use on representative application problems. On reading, a CASL analyst should understand why and howmore » to apply Dakota to a simulation problem. This SAND report constitutes the product of CASL milestone L3:VUQ.V&V.P8.01 and is also being released as a CASL unlimited release report with number CASL-U-2014-0038-000.« less

Structure of the Photo-catalytically Active Surface of SrTiO 3

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

Plaza, Manuel; Huang, Xin; Ko, J. Y. Peter

2016-06-29

A major goal of energy research is to use visible light to cleave water directly, without an applied voltage, into hydrogen and oxygen. Although SrTiO3 requires ultraviolet light, after four decades, it is still the “gold standard” for the photo-catalytic splitting of water. It is chemically robust and can carry out both hydrogen and oxygen evolution reactions without an applied bias. While ultrahigh vacuum surface science techniques have provided useful insights, we still know relatively little about the structure of these electrodes in contact with electrolytes under operating conditions. Here, we report the surface structure evolution of a n-SrTiO3 electrodemore » during water splitting, before and after “training” with an applied positive bias. Operando high-energy X-ray reflectivity measurements demonstrate that training the electrode irreversibly reorders the surface. Scanning electrochemical microscopy at open circuit correlates this training with a 3-fold increase of the activity toward the photo-induced water splitting. A novel first-principles joint density functional theory simulation, constrained to the X-ray data via a generalized penalty function, identifies an anatase-like structure as the more active, trained surface.« less

Structure of the Photo-catalytically Active Surface of SrTiO 3

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

Plaza, Manuel; Huang, Xin; Ko, J. Y. Peter

2016-06-29

A major goal of energy research is to use visible light to cleave water directly, without an applied voltage, into hydrogen and oxygen. Although SrTiO 3 requires ultraviolet light, after four decades, it is still the "gold standard" for the photo-catalytic splitting of water. It is chemically robust and can carry out both hydrogen and oxygen evolution reactions without an applied bias. While ultrahigh vacuum surface science techniques have provided useful insights, we still know relatively little about the structure of these electrodes in contact with electrolytes under operating conditions. Here, we report the surface structure evolution of a n-SrTiOmore » 3 electrode during water splitting, before and after "training" with an applied positive bias. Operando high-energy X-ray reflectivity measurements demonstrate that training the electrode irreversibly reorders the surface. Scanning electrochemical microscopy at open circuit correlates this training with a 3-fold increase of the activity toward the photo-induced water splitting. A novel first-principles joint density functional theory simulation, constrained to the X-ray data via a generalized penalty function, identifies an anatase-like structure as the more active, trained surface.« less

21 CFR 352.71 - Light source (solar simulator).

Code of Federal Regulations, 2010 CFR

2010-04-01

... 21 Food and Drugs 5 2010-04-01 2010-04-01 false Light source (solar simulator). 352.71 Section 352... Procedures § 352.71 Light source (solar simulator). A solar simulator used for determining the SPF of a... nanometers. In addition, a solar simulator should have no significant time-related fluctuations in radiation...

21 CFR 352.71 - Light source (solar simulator).

Code of Federal Regulations, 2011 CFR

2011-04-01

... 21 Food and Drugs 5 2011-04-01 2011-04-01 false Light source (solar simulator). 352.71 Section 352... Procedures § 352.71 Light source (solar simulator). A solar simulator used for determining the SPF of a... nanometers. In addition, a solar simulator should have no significant time-related fluctuations in radiation...

Simulated and measured neutron/gamma light output distribution for poly-energetic neutron/gamma sources

NASA Astrophysics Data System (ADS)

Hosseini, S. A.; Zangian, M.; Aghabozorgi, S.

2018-03-01

In the present paper, the light output distribution due to poly-energetic neutron/gamma (neutron or gamma) source was calculated using the developed MCNPX-ESUT-PE (MCNPX-Energy engineering of Sharif University of Technology-Poly Energetic version) computational code. The simulation of light output distribution includes the modeling of the particle transport, the calculation of scintillation photons induced by charged particles, simulation of the scintillation photon transport and considering the light resolution obtained from the experiment. The developed computational code is able to simulate the light output distribution due to any neutron/gamma source. In the experimental step of the present study, the neutron-gamma discrimination based on the light output distribution was performed using the zero crossing method. As a case study, 241Am-9Be source was considered and the simulated and measured neutron/gamma light output distributions were compared. There is an acceptable agreement between the discriminated neutron/gamma light output distributions obtained from the simulation and experiment.

Molecular dynamics simulations reveal highly permeable oxygen exit channels shared with water uptake channels in photosystem II.

PubMed

Vassiliev, Serguei; Zaraiskaya, Tatiana; Bruce, Doug

2013-10-01

Photosystem II (PSII) catalyzes the oxidation of water in the conversion of light energy into chemical energy in photosynthesis. Water delivery and oxygen removal from the oxygen evolving complex (OEC), buried deep within PSII, are critical requirements to facilitate the reaction and minimize reactive oxygen damage. It has often been assumed that water and oxygen travel through separate channels within PSII, as demonstrated in cytochrome c oxidase. This study describes all-atom molecular dynamics simulations of PSII designed to investigate channels by fully characterizing the distribution and permeation of both water and oxygen. Interestingly, most channels found in PSII were permeable to both oxygen and water, however individual channels exhibited different energetic barriers for the two solutes. Several routes for oxygen diffusion within PSII with low energy permeation barriers were found, ensuring its fast removal from the OEC. In contrast, all routes for water showed significant energy barriers, corresponding to a much slower permeation rate for water through PSII. Two major factors were responsible for this selectivity: (1) hydrogen bonds between water and channel amino acids, and (2) steric restraints. Our results reveal the presence of a shared network of channels in PSII optimized to both facilitate the quick removal of oxygen and effectively restrict the water supply to the OEC to help stabilize and protect it from small water soluble inhibitors. Copyright © 2013 Elsevier B.V. All rights reserved.

Flow and Transport of Radionuclides in the Rhizosphere: Imaging and Measurements in a 2D System

NASA Astrophysics Data System (ADS)

Pales, Ashley; Darnault, Christophe; Li, Biting; Clifford, Heather; Montgomery, Dawn; Moysey, Stephen; Powell, Brian; DeVol, Tim; Erdmann, Bryan; Edayilam, Nimisha; Tharayil, Nishanth; Dogan, Mine; Martinez, Nicole

2017-04-01

This research aims to build upon past 2D tank light transmission methods to quantify real-time flow in unsaturated porous media, understand how exudates effect unstable flow patterns, and understand radionuclide mobility and dispersion in the subsurface. A 2D tank light transmission method was created using a transparent flow through tank coupled with a random rainfall simulator; a commercial LED light and a CMOS DSLR Nikon D5500 camera were used to capture the real-time flow images. The images were broken down from RGB into HVI and analyzed in Matlab to produce quantifiable data about finger formation and water saturation distribution. Radionuclide locations were determined via handheld gamma scanner. Water saturation along the vertical and horizontal profile (Matlab) was used to quantify the finger more objectively than by eye assessment alone. The changes in finger formation and speed of propagation between the control rain water (0.01M NaCl) and the solutions containing plant exudates illustrates that the plant exudates increased the wettability (mobility) of water moving through unsaturated porous media. This understanding of plant exudates effect on unsaturated flow is important for works studying how plants, their roots and exudates, may affect the mobility of radionuclides in unsaturated porous media. As there is an increase in exudate concentration, the mobility of the radionuclides due to changing flow pattern and available water content in porous media may be improved causing more dispersion in the porous media and intake into the plant. Changes in plant root exudation impact the distribution and density of radionuclides in the rhizosphere and vadose zone.

Assessment of Southern Ocean water mass circulation and characteristics in CMIP5 models: Historical bias and forcing response

NASA Astrophysics Data System (ADS)

Sallée, J.-B.; Shuckburgh, E.; Bruneau, N.; Meijers, A. J. S.; Bracegirdle, T. J.; Wang, Z.; Roy, T.

2013-04-01

The ability of the models contributing to the fifth Coupled Models Intercomparison Project (CMIP5) to represent the Southern Ocean hydrological properties and its overturning is investigated in a water mass framework. Models have a consistent warm and light bias spread over the entire water column. The greatest bias occurs in the ventilated layers, which are volumetrically dominated by mode and intermediate layers. The ventilated layers have been observed to have a strong fingerprint of climate change and to impact climate by sequestrating a significant amount of heat and carbon dioxide. The mode water layer is poorly represented in the models and both mode and intermediate water have a significant fresh bias. Under increased radiative forcing, models simulate a warming and lightening of the entire water column, which is again greatest in the ventilated layers, highlighting the importance of these layers for propagating the climate signal into the deep ocean. While the intensity of the water mass overturning is relatively consistent between models, when compared to observation-based reconstructions, they exhibit a slightly larger rate of overturning at shallow to intermediate depths, and a slower rate of overturning deeper in the water column. Under increased radiative forcing, atmospheric fluxes increase the rate of simulated upper cell overturning, but this increase is counterbalanced by diapycnal fluxes, including mixed-layer horizontal mixing, and mostly vanishes.

Reconstructing the direction of reactor antineutrinos via electron scattering in Gd-doped water Cherenkov detectors

DOE PAGES

Hellfeld, D.; Bernstein, A.; Dazeley, S.; ...

2017-01-01

The potential of elastic antineutrino-electron scattering (ν¯ e + e – → ν¯ e + e –) in a Gd-doped water Cherenkov detector to determine the direction of a nuclear reactor antineutrino flux was investigated using the recently proposed WATCHMAN antineutrino experiment as a baseline model. The expected scattering rate was determined assuming a 13 km standoff from a 3.758 GWt light water nuclear reactor. Background was estimated via independent simulations and by appropriately scaling published measurements from similar detectors. Many potential backgrounds were considered, including solar neutrinos, misidentified reactor-based inverse beta decay interactions, cosmogenic radionuclide and water-borne radon decays,more » and gamma rays from the photomultiplier tubes, detector walls, and surrounding rock. The detector response was modeled using a GEANT4-based simulation package. The results indicate that with the use of low radioactivity PMTs and sufficient fiducialization, water-borne radon and cosmogenic radionuclides pose the largest threats to sensitivity. The directional sensitivity was then analyzed as a function of radon contamination, detector depth, and detector size. Lastly, the results provide a list of theoretical conditions that, if satisfied in practice, would enable nuclear reactor antineutrino directionality in a Gd-doped water Cherenkov detector approximately 10 km from a large power reactor.« less

Modelling the radiolysis of RSG-GAS primary cooling water

NASA Astrophysics Data System (ADS)

Butarbutar, S. L.; Kusumastuti, R.; Subekti, M.; Sunaryo, G. R.

2018-02-01

Water chemistry control for light water coolant reactor required a reliable understanding of radiolysis effect in mitigating corrosion and degradation of reactor structure material. It is known that oxidator products can promote the corrosion, cracking and hydrogen pickup both in the core and in the associated piping components of the reactor. The objective of this work is to provide the radiolysis model of RSG GAS cooling water and further more to predict the oxidator concentration which can lead to corrosion of reactor material. Direct observations or measurements of the chemistry in and around the high-flux core region of a nuclear reactor are difficult due to the extreme conditions of high temperature, pressure, and mixed radiation fields. For this reason, chemical models and computer simulations of the radiolysis of water under these conditions are an important route of investigation. FACSIMILE were used to calculate the concentration of O2 formed at relatively long-time by the pure water γ and neutron irradiation (pH=7) at temperature between 25 and 50 °C. This simulation method is based on a complex chemical reaction kinetic. In this present work, 300 MeV-proton were used to mimic γ-rays radiolysis and 2 MeV fast neutrons. Concentration of O2 were calculated at 10-6 - 106 s time scale.

Model of annual plants dynamics with facilitation and competition.

PubMed

Droz, Michel; Pękalski, Andrzej

2013-10-21

An individual-based model describing the dynamics of one type of annual plants is presented. We use Monte Carlo simulations where each plant has its own history and the interactions among plants are between nearest neighbours. The character of the interaction (positive or negative) depends on local conditions. The plants compete for two external resources-water and light. The amount of water and/or light a plant receives depends on the external factor but also on local arrangement. Survival, growth and seed production of plants are determined by how well their demands for the resources are met. The survival and seeds production tests have a probabilistic character, which makes the dynamics more realistic than by using a deterministic approach. There is a non-linear coupling between the external supplies. Water evaporates from the soil at a rate depending on constant evaporation rate, local conditions and the amount of light. We examine the dynamics of the plant population along two environmental gradients, allowing also for surplus of water and/or light. We show that the largest number of plants is when the demands for both resources are equal to the supplies. We estimate also the role of evaporation and we find that it depends on the situation. It could be negative, but sometimes it has a positive character. We show that the link between the type of interaction (positive or negative) and external conditions has a complex character. In general in favourable environment plants have a stronger tendency for competitive interactions, leading to mostly isolated plants. When the conditions are getting more difficult, cooperation becomes the dominant type of interactions and the plants grow in clusters. The type of plants-sun-loving or shade tolerating, plays also an important role. © 2013 Elsevier Ltd. All rights reserved.

Research on starlight hardware-in-the-loop simulator

NASA Astrophysics Data System (ADS)

Zhang, Ying; Gao, Yang; Qu, Huiyang; Liu, Dongfang; Du, Huijie; Lei, Jie

2016-10-01

The starlight navigation is considered to be one of the most important methods for spacecraft navigation. Starlight simulation system is a high-precision system with large fields of view, designed to test the starlight navigation sensor performance on the ground. A complete hardware-in-the-loop simulation of the system has been built. The starlight simulator is made up of light source, light source controller, light filter, LCD, collimator and control computer. LCD is the key display component of the system, and is installed at the focal point of the collimator. For the LCD cannot emit light itself, so light source and light source power controller is specially designed for the brightness demanded by the LCD. Light filter is designed for the dark background which is also needed in the simulation.

Detecting and monitoring water stress states in maize crops using spectral ratios obtained in the photosynthetic domain

NASA Astrophysics Data System (ADS)

Baranoski, Gladimir V. G.; Van Leeuwen, Spencer R.

2017-07-01

The reliable detection and monitoring of changes in the water status of crops composed of plants like maize, a highly adaptable C4 species in large demand for both food and biofuel production, are longstanding remote sensing goals. Existing procedures employed to achieve these goals rely predominantly on the spectral signatures of plant leaves in the infrared domain where the light absorption within the foliar tissues is dominated by water. It has been suggested that such procedures could be implemented using subsurface reflectance to transmittance ratios obtained in the visible (photosynthetic) domain with the assistance of polarization devices. However, the experiments leading to this proposition were performed on detached maize leaves, which were not influenced by the whole (living) plant's adaptation mechanisms to water stress. In this work, we employ predictive simulations of light-leaf interactions in the photosynthetic domain to demonstrate that the living specimens' physiological responses to dehydration stress should be taken into account in this context. Our findings also indicate that a reflectance to transmittance ratio obtained in the photosynthetic domain at a lower angle of incidence without the use of polarization devices may represent a cost-effective alternative for the assessment of water stress states in maize crops.

A Water Cherenkov Detector prototype for the HAWC Gamma-Ray Observatory

NASA Astrophysics Data System (ADS)

Longo, Megan; Mostafa, Miguel; Salesa Greus, Francisco; Warner, David

2011-10-01

A full-size Water Cherenkov Detector (WCD) prototype for the High Altitude Water Cherenkov (HAWC) gamma-ray Observatory was deployed, and is currently being operated at Colorado State University (CSU). The HAWC Observatory will consist of 300 WCDs at the very high altitude (4100m) site in Sierra Negra, Mexico. Each WCD will have 4 baffled upward-facing Photomultiplier Tubes (PMTs) anchored to the bottom of a self made multilayer hermetic plastic bag containing 200,000 liters of purified water, inside a 5m deep by 7.3m diameter steel container. The full size WCD at CSU is the only full size prototype outside of the HAWC site. It is equipped with seven HAWC PMTs and has scintillators both under and above the volume of water. It has been in operation since March 1, 2011. This prototype also has the same laser calibration system that the detectors deployed at the HAWC site will have. The CSU WCD serves as a testbed for the different subsystems before deployment at high altitude, and for optimizing the location of the PMTs, the design of the light collectors, deployment procedures, etc. Simulations of the light inside the detectors and the expected signals in the PMTs can also be benchmarked with this prototype.

Photoinduced toxicity of fluoranthene to northern leopard frogs (Rana pipiens)

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

Monson, P.D.; Call, D.J.; Cox, D.A.

1999-02-01

Rana pipiens larvae were exposed for 48 h in a flow-through system to clean water or five concentrations of the phototoxic polycyclic aromatic hydrocarbon (PAH) fluoranthene. Following this uptake period, the larvae were divided into four groups: one for immediate tissue residue analysis, a second for residue analysis following 48 h of depuration in clean water, and two for a 48-h exposure in clean water to ultraviolet (UV) light at two different levels. At the highest treatment, mean intensity was 8.12 {+-} 0.19 {times} 10{sup 2} {micro}W/cm{sup 2}, whereas at a lower treatment the UVA intensity was 4.45 {+-} 0.05more » {times} 10{sup 2} {micro}W/cm{sup 2}. Larval frogs bioaccumulated fluoranthene in direct proportion to the water exposure concentrations, with initial whole-body PAH concentrations of 1.48, 3.53, 4.85, 11.3, and 18.7 {micro}g/g at the five treatment levels. No mortality of the animals occurred during the 48-h uptake phase. When the frogs were placed in clean water, the fluoranthene was rapidly depurated, with up to 80% lost in 48 h. Exposure to UV light following fluoranthene exposure significantly enhanced toxicity of the PAH. Median time to death decreased as the product of UVA light intensity and fluoranthene body residue increased. For larval R. Pipiens, sufficient tissue residues of fluoranthene were bioaccumulated within 48 h, at water exposure concentrations in the range of 2 to 10 {micro}g/L, to be lethal when combined with a UVA exposure simulating a fraction of summertime, midday sunlight in northern latitudes.« less

A simulation analysis of the fate of phytoplankton within the mid-Atlantic bight

NASA Technical Reports Server (NTRS)

Walsh, J. J.; Dieterle, D. A.; Meyers, M. B.

1986-01-01

A time-dependent, three-dimensional simulation model of wind-induced changes of the circulation field, of light and nutrient regulation of photosynthesis, of vertical mixing as well as algal sinking, and of herbivore grazing stress, is used to analyze the seasonal production, consumption, and transport of the spring bloom within the mid-Atlantic Bight. The particular case (c) of a 58-day period in February-April 1979, simulated primary production, based on both nitrate and recycled nitrogen, with a mean of 0.62 g C sq m/day over the whole model domain, and an export at the shelf-break off Long Island of 2.60 g ch1 sq m/day within the lower third of the water column. About 57% of the carbon fixation was removed by herbivores, with 21% lost as export, either downshelf or offshore to slope waters, after the first 58 days of the spring bloom. Extension of the model for another 22 days of case (c) increased the mean export to 27%, while variation of the model's parameters in 8 other cases led to a range in export from 8% to 38% of the average primary production. Spatial and temporal variations of the simulated albal biomass, left behind in the shelf water column, reproduced chlorophyll fields sensed by satellite, shipboard, and in situ instruments.

Magnetically recoverable TiO2-WO3 photocatalyst to oxidize bisphenol A from model wastewater under simulated solar light.

PubMed

Dominguez, S; Huebra, M; Han, C; Campo, P; Nadagouda, M N; Rivero, M J; Ortiz, I; Dionysiou, D D

2017-05-01

A novel magnetically recoverable, visible light active TiO 2 -WO 3 composite (Fe 3 O 4 @SiO 2 @TiO 2 -WO 3 ) was prepared to enable the photocatalyst recovery after the degradation of bisphenol A (BPA) under simulated solar light. For comparison, the photocatalytic activity of other materials such as non-magnetic TiO 2 -WO 3 , Fe 3 O 4 @SiO 2 @TiO 2 , TiO 2 , and the commercial TiO 2 P25 was also evaluated under the studied experimental conditions. The structure and morphology of the synthesized materials were characterized by X-ray diffraction (XRD), scanning electron microscopy (SEM), high-resolution transmission electron microscopy (HR-TEM), and electron dispersion spectroscopy (EDS). Moreover, Brunauer-Emmett-Teller (BET) surface area and magnetic properties of the samples were determined. The Fe 3 O 4 @SiO 2 @TiO 2 -WO 3 and TiO 2 -WO 3 led to a BPA degradation of 17.50 and 27.92 %, respectively, after 2 h of the simulated solar light irradiation. Even though their activity was lower than that of P25, which degraded completely BPA after 1 h, our catalysts were magnetically separable for their further reuse in the treatment. Furthermore, the influence of the water matrix in the photocatalytic activity of the samples was studied in municipal wastewater. Finally, the identification of reaction intermediates was performed and a possible BPA degradation pathway was proposed to provide a better understanding of the degradation process. Graphical abstract ᅟ.

Bactericidal activity of TiO[sub 2] photocatalyst in aqueous media. Toward a solar-assisted water disinfection system

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

Wei, C.; Lin, W.Y.; Zainal, Z.

Irradiation of suspensions of Escherichia coli ([approximately] 10[sup 6] cells/mL) and TiO[sub 2] (anatase) with UV-visible light of wave-lengths longer than 380 nm resulted in the killing of the bacteria within minutes. Oxygen was found to be a prerequisite for the bactericidal properties of the photocatalyst. Bacterial killing was found to adhere to first-order kinetics. The rate constant was proportional to the square root of the concentration of TiO[sub 2] and proportional to the incident light intensity in the range [approximately] 180- [approximately] 1660 [mu]E s[sup [minus]1] m[sup [minus]2]. The trends in these simulated laboratory experiments were mimicked by outdoormore » tests conducted under the summer noonday sun in Texas. The implications of these results as well as those of previous investigations in terms of practical applicability to solar-assisted water treatment and disinfection at remote sites are discussed relative to water technologies currently considered as viable as alternatives to chlorination. 24 refs., 8 figs.« less

Exploring the feasibility of focusing CW light through a scattering medium into closely spaced twin peaks via numerical solutions of Maxwell’s equations

NASA Astrophysics Data System (ADS)

Tseng, Snow H.; Chang, Shih-Hui

2018-04-01

Here we present a numerical simulation to analyze the effect of scattering on focusing light into closely-spaced twin peaks. The pseudospectral time-domain (PSTD) is implemented to model continuous-wave (CW) light propagation through a scattering medium. Simulations show that CW light can propagate through a scattering medium and focus into closely-spaced twin peaks. CW light of various wavelengths focusing into twin peaks with sub-diffraction spacing is simulated. In advance, light propagation through scattering media of various number densities is simulated to decipher the dependence of CW light focusing phenomenon on the scattering medium. The reported simulations demonstrate the feasibility of focusing CW light into twin peaks with sub-diffraction dimensions. More importantly, based upon numerical solutions of Maxwell’s equations, research findings show that the sub-diffraction focusing phenomenon can be achieved with scarce or densely-packed scattering media.

Ambient-Light Simulator For Testing Cockpit Displays

NASA Technical Reports Server (NTRS)

Batson, Vernon M.; Gupton, Lawrence E.

1995-01-01

Apparatus provides illumination from outside, through windows and into interior of simulated airplane cockpit. Simulates sunlight, darkness, or lightning on demand. Ambient-lighting simulator surrounds forward section of simulated airplane. Provides control over intensity, color, and diffuseness of solar illumination and of position of Sun relative to airplane. Used to evaluate aircraft-instrumentation display devices under realistic lighting conditions.

Laser-Material Interaction of Powerful Ultrashort Laser Pulses

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

Komashko, A

2003-01-06

Laser-material interaction of powerful (up to a terawatt) ultrashort (several picoseconds or shorter) laser pulses and laser-induced effects were investigated theoretically in this dissertation. Since the ultrashort laser pulse (USLP) duration time is much smaller than the characteristic time of the hydrodynamic expansion and thermal diffusion, the interaction occurs at a solid-like material density with most of the light energy absorbed in a thin surface layer. Powerful USLP creates hot, high-pressure plasma, which is quickly ejected without significant energy diffusion into the bulk of the material, Thus collateral damage is reduced. These and other features make USLPs attractive for amore » variety of applications. The purpose of this dissertation was development of the physical models and numerical tools for improvement of our understanding of the process and as an aid in optimization of the USLP applications. The study is concentrated on two types of materials - simple metals (materials like aluminum or copper) and wide-bandgap dielectrics (fused silica, water). First, key physical phenomena of the ultrashort light interaction with metals and the models needed to describe it are presented. Then, employing one-dimensional plasma hydrodynamics code enhanced with models for laser energy deposition and material properties at low and moderate temperatures, light absorption was self-consistently simulated as a function of laser wavelength, pulse energy and length, angle of incidence and polarization. Next, material response on time scales much longer than the pulse duration was studied using the hydrocode and analytical models. These studies include examination of evolution of the pressure pulses, effects of the shock waves, material ablation and removal and three-dimensional dynamics of the ablation plume. Investigation of the interaction with wide-bandgap dielectrics was stimulated by the experimental studies of the USLP surface ablation of water (water is a model of biological tissue) and laser-induced pressure waves. Simulations on the basis of the nonlinear ionization equation were used to examine effects of the laser created surface plasma on light absorption, reflection and transmission. Laser pulse energy conversion efficiency into pressure waves was studied experimentally and theoretically.« less

Simulation of Pressure-swing Distillation for Separation of Ethyl Acetate-Ethanol-Water

NASA Astrophysics Data System (ADS)

Yang, Jing; Zhou, Menglin; Wang, Yujie; Zhang, Xi; Wu, Gang

2017-12-01

In the light of the azeotrope of ethyl acetate-ethanol-water, a process of pressure-swing distillation is proposed. The separation process is simulated by Aspen Plus, and the effects of theoretical stage number, reflux ratio and feed stage about the pressure-swing distillation are optimized. Some better process parameters are as follows: for ethyl acetate refining tower, the pressure is 500.0 kPa, theoretical stage number is 16, reflux ratio is 0.6, feed stage is 5; for crude ethanol tower, the pressure is 101.3 kPa, theoretical stage number is 15, reflux ratio is 0.3, feed stage is 4; for ethanol tower, the pressure is 101.3 kPa, theoretical stage number is 25, reflux ratio is 1.2, feed stage is 10. The mass fraction of ethyl acetate in the bottom of the ethyl acetate refining tower reaches 0.9990, the mass fraction of ethanol in the top of the ethanol tower tower reaches 0.9017, the mass fraction of water in the bottom of the ethanol tower tower reaches 0.9622, and there is also no ethyl acetate in the bottom of the ethanol tower. With laboratory tests, experimental results are in good agreement with the simulation results, which indicates that the separation of ethyl acetate ethanol water can be realized by the pressure-swing distillation separation process. Moreover, it has certain practical significance to industrial practice.

A sediment resuspension and water quality model of Lake Okeechobee

USGS Publications Warehouse

James, R.T.; Martin, J.; Wool, T.; Wang, P.-F.

1997-01-01

The influence of sediment resuspension on the water quality of shallow lakes is well documented. However, a search of the literature reveals no deterministic mass-balance eutrophication models that explicitly include resuspension. We modified the Lake Okeeehobee water quality model - which uses the Water Analysis Simulation Package (WASP) to simulate algal dynamics and phosphorus, nitrogen, and oxygen cycles - to include inorganic suspended solids and algorithms that: (1) define changes in depth with changes in volume; (2) compute sediment resuspension based on bottom shear stress; (3) compute partition coefficients for ammonia and ortho-phosphorus to solids; and (4) relate light attenuation to solids concentrations. The model calibration and validation were successful with the exception of dissolved inorganic nitrogen species which did not correspond well to observed data in the validation phase. This could be attributed to an inaccurate formulation of algal nitrogen preference and/or the absence of nitrogen fixation in the model. The model correctly predicted that the lake is lightlimited from resuspended solids, and algae are primarily nitrogen limited. The model simulation suggested that biological fluxes greatly exceed external loads of dissolved nutrients; and sedimentwater interactions of organic nitrogen and phosphorus far exceed external loads. A sensitivity analysis demonstrated that parameters affecting resuspension, settling, sediment nutrient and solids concentrations, mineralization, algal productivity, and algal stoichiometry are factors requiring further study to improve our understanding of the Lake Okeechobee ecosystem.

Simulating nectarine tree transpiration and dynamic water storage from responses of leaf conductance to light and sap flow to stem water potential and vapor pressure deficit.

PubMed

Paudel, Indira; Naor, Amos; Gal, Yoni; Cohen, Shabtai

2015-04-01

For isohydric trees mid-day water uptake is stable and depends on soil water status, reflected in pre-dawn leaf water potential (Ψpd) and mid-day stem water potential (Ψmd), tree hydraulic conductance and a more-or-less constant leaf water potential (Ψl) for much of the day, maintained by the stomata. Stabilization of Ψl can be represented by a linear relationship between canopy resistance (Rc) and vapor pressure deficit (D), and the slope (BD) is proportional to the steady-state water uptake. By analyzing sap flow (SF), meteorological and Ψmd measurements during a series of wetting and drying (D/W) cycles in a nectarine orchard, we found that for the range of Ψmd relevant for irrigated orchards the slope of the relationship of Rc to D, BD is a linear function of Ψmd. Rc was simulated using the above relationships, and its changes in the morning and evening were simulated using a rectangular hyperbolic relationship between leaf conductance and photosynthetic irradiance, fitted to leaf-level measurements. The latter was integrated with one-leaf, two-leaf and integrative radiation models, and the latter gave the best results. Simulated Rc was used in the Penman-Monteith equation to simulate tree transpiration, which was validated by comparing with SF from a separate data set. The model gave accurate estimates of diurnal and daily total tree transpiration for the range of Ψmds used in regular and deficit irrigation. Diurnal changes in tree water content were determined from the difference between simulated transpiration and measured SF. Changes in water content caused a time lag of 90-105 min between transpiration and SF for Ψmd between -0.8 and -1.55 MPa, and water depletion reached 3 l h(-1) before noon. Estimated mean diurnal changes in water content were 5.5 l day(-1) tree(-1) at Ψmd of -0.9 MPa and increased to 12.5 l day(-1) tree(-1) at -1.45 MPa, equivalent to 6.5 and 16.5% of daily tree water use, respectively. Sixteen percent of the dynamic water volume was in the leaves. Inversion of the model shows that Ψmd can be predicted from D and Rc, which may have some importance for irrigation management to maintain target values of Ψmd. That relationship will be explored in future research. © The Author 2015. Published by Oxford University Press. All rights reserved. For Permissions, please email: journals.permissions@oup.com.

Rheoceptive mediators of graviperception in a water flea: Morphological implications of antennal-socket setae in daphnia magna

NASA Technical Reports Server (NTRS)

Meyers, D. G.

1984-01-01

Aquatic microcrustaceans of the genus Daphnia are known to orient to light during the day. At night, in the absence of visual cues, daphnids were suspected of maintaining equilibrium by monitoring the direction of gravity through their swimming antennae. Recent investigations using simulated, weightlessness conditions coupled with absence of illumination revealed hair like structures or setae on the basal, articulating socket of the antennae that, when surgically removed, resulted in disorientation. Given the simulated weightlessness or neutrally buoyant condition that eliminated sinking of the normally negatively buoyant Daphnia, it was proposed that the antennal socket setae function as rheoceptors stimulated by the upward rush of water currents during gravity induced, sinking phase of daphnid swimming movements. This rheoceptively mediated, gravity perception hypothesis is further supported by morphological investigations. Scanning electron micrographs indicate that antennal socket setae are anatomically similar to proprioceptors used by higher crustaceans to monitor gravitational direction.

Orbiting Rainbows Simulation

NASA Image and Video Library

2015-04-22

This simulated image shows how a cloud of glitter in geostationary orbit would be illuminated and controlled by two laser beams. As the cloud orbits Earth, grains scatter the sun's light at different angles like many tiny prisms, similar to how rainbows are produced from light being dispersed by water droplets. That is why the project concept is called "Orbiting Rainbows." The cloud functions like a reflective surface, allowing the exoplanet (displayed in the bottom right) to be imaged. The orbit path is shown in the top right. On the bottom left, Earth's image is seen behind the cloud. To image an exoplanet, the cloud would need to have a diameter of nearly 98 feet (30 meters). This simulation confines the cloud to a 3.3 x 3.3 x 3.3 foot volume (1 x 1 x 1 meter volume) to simplify the computations. The elements of the orbiting telescope are not to scale. Orbiting Rainbows is currently in Phase II development through the NASA Innovative Advanced Concepts (NIAC) Program. It was one of five technology proposals chosen for continued study in 2014. In the current phase, Orbiting Rainbows researchers are conducting small-scale ground experiments to demonstrate how granular materials can be manipulated using lasers and simulations of how the imaging system would behave in orbit. http://photojournal.jpl.nasa.gov/catalog/PIA19318

Competition for light between individual trees lowers reference canopy stomatal conductance: Results from a model

NASA Astrophysics Data System (ADS)

Loranty, Michael M.; Mackay, D. Scott; Ewers, Brent E.; Traver, Elizabeth; Kruger, Eric L.

2010-12-01

We have used an ecosystem model, TREES (Terrestrial Regional Ecosystem Exchange Simulator), to test the hypothesis that competition for light limits reference canopy stomatal conductance (GSref; conductance at 1 kPa vapor pressure deficit) for individual tree crowns. Sap flux (JS) data was collected at an aspen-dominated unmanaged early successional site, and at a sugar maple dominated midsuccessional site managed for timber production. Using a Monte Carlo approach, JS scaled canopy transpiration (EC) estimates were used to parameterize two versions of the model for each tree individually; a control model treated trees as isolated individuals, and a modified version incorporated the shading effects of neighboring individuals on incident radiation. Agreement between simulated and observed EC was better for maple than for aspen using the control model. Accounting for canopy heterogeneity using a three-dimensional canopy representation had minimal effects on estimates of GSref or model performance for individual maples. At the Aspen site the modified model resulted in improved EC estimates, particularly for trees with lower GSref and more shading by neighboring individuals. Our results imply a link between photosynthetic capacity, as mediated by competitive light environment, and GSref. We conclude that accounting for the effects of canopy heterogeneity on incident radiation improves modeled estimates of canopy carbon and water fluxes, especially for shade intolerant species. Furthermore our results imply a link between ecosystem structure and function that may be exploited to elucidate the impacts of forest structural heterogeneity on ecosystem fluxes of carbon and water via LiDAR remote sensing.

Thermal hydraulic simulations, error estimation and parameter sensitivity studies in Drekar::CFD

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

Smith, Thomas Michael; Shadid, John N.; Pawlowski, Roger P.

2014-01-01

This report describes work directed towards completion of the Thermal Hydraulics Methods (THM) CFD Level 3 Milestone THM.CFD.P7.05 for the Consortium for Advanced Simulation of Light Water Reactors (CASL) Nuclear Hub effort. The focus of this milestone was to demonstrate the thermal hydraulics and adjoint based error estimation and parameter sensitivity capabilities in the CFD code called Drekar::CFD. This milestone builds upon the capabilities demonstrated in three earlier milestones; THM.CFD.P4.02 [12], completed March, 31, 2012, THM.CFD.P5.01 [15] completed June 30, 2012 and THM.CFD.P5.01 [11] completed on October 31, 2012.

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

Huesemann, Michael; Dale, T.; Chavis, A.

Two innovative culturing systems, the LED-lighted and temperature-controlled 800 liter indoor raceways at Pacific Northwest National Laboratory (PNNL) and the Phenometrics environmental Photobioreactors™ (ePBRs) were evaluated in terms of their ability to accurately simulate the microalgae growth performance of outdoor cultures subjected to fluctuating sunlight and water temperature conditions. When repeating a 60-day outdoor pond culture experiment (batch and semi-continuous at two dilution rates) conducted in Arizona with the freshwater strain Chlorella sorokiniana DOE 1412 in these two indoor simulators, it was found that ash-free dry weight based biomass growth and productivity in the PNNL climate-simulation ponds was comparatively slightlymore » higher (8–13%) but significantly lower (44%) in the ePBRs. The difference in biomass productivities between the indoor and outdoor ponds was not statistically significant. When the marine Picochlorum soloecismus was cultured in five replicate ePBRs at Los Alamos National Laboratory (LANL) and in duplicate indoor climate-simulation ponds at PNNL, using the same inoculum, medium, culture depth, and light and temperature scripts, the optical density based biomass productivity and the rate of increase in cell counts in the ePBRs was about 35% and 66%, respectively, lower compared than in the indoor ponds. Potential reasons for the divergence in growth performance in these pond simulators, relative to outdoor raceways, are discussed. In conclusion, the PNNL climate-simulation ponds provide reasonably reliable biomass productivity estimates for microalgae strains cultured in outdoor raceways under different climatic conditions.« less

Potential Elevation Biases for Laser Altimeters from Subsurface Scattered Photons: Laboratory and Model Exploration of Green Light Scattering in Snow

NASA Astrophysics Data System (ADS)

Greeley, A.; Neumann, T.; Markus, T.; Kurtz, N. T.; Cook, W. B.

2015-12-01

Existing visible light laser altimeters such as MABEL (Multiple Altimeter Beam Experimental Lidar) - a single photon counting simulator for ATLAS (Advanced Topographic Laser Altimeter System) on NASA's upcoming ICESat-2 mission - and ATM (Airborne Topographic Mapper) on NASA's Operation IceBridge mission provide scientists a view of Earth's ice sheets, glaciers, and sea ice with unprecedented detail. Precise calibration of these instruments is needed to understand rapidly changing parameters like sea ice freeboard and to measure optical properties of surfaces like snow covered ice sheets using subsurface scattered photons. Photons travelling into snow, ice, or water before scattering back to the altimeter receiving system (subsurface photons) travel farther and longer than photons scattering off the surface only, causing a bias in the measured elevation. We seek to identify subsurface photons in a laboratory setting using a flight-tested laser altimeter (MABEL) and to quantify their effect on surface elevation estimates for laser altimeter systems. We also compare these estimates with previous laboratory measurements of green laser light transmission through snow, as well as Monte Carlo simulations of backscattered photons from snow.

Quantum mechanics/molecular mechanics simulation of the ligand vibrations of the water-oxidizing Mn4CaO5 cluster in photosystem II.

PubMed

Nakamura, Shin; Noguchi, Takumi

2016-10-11

During photosynthesis, the light-driven oxidation of water performed by photosystem II (PSII) provides electrons necessary to fix CO 2 , in turn supporting life on Earth by liberating molecular oxygen. Recent high-resolution X-ray images of PSII show that the water-oxidizing center (WOC) is composed of an Mn 4 CaO 5 cluster with six carboxylate, one imidazole, and four water ligands. FTIR difference spectroscopy has shown significant structural changes of the WOC during the S-state cycle of water oxidation, especially within carboxylate groups. However, the roles that these carboxylate groups play in water oxidation as well as how they should be properly assigned in spectra are unresolved. In this study, we performed a normal mode analysis of the WOC using the quantum mechanics/molecular mechanics (QM/MM) method to simulate FTIR difference spectra on the S 1 to S 2 transition in the carboxylate stretching region. By evaluating WOC models with different oxidation and protonation states, we determined that models of high-oxidation states, Mn(III) 2 Mn(IV) 2 , satisfactorily reproduced experimental spectra from intact and Ca-depleted PSII compared with low-oxidation models. It is further suggested that the carboxylate groups bridging Ca and Mn ions within this center tune the reactivity of water ligands bound to Ca by shifting charge via their π conjugation.

Time-dependent scattering of incident light of various wavelengths in ferrofluids under external magnetic field

NASA Astrophysics Data System (ADS)

Jin, Jingyu; Song, Dongxing; Geng, Jiafeng; Jing, Dengwei

2018-02-01

Ferrofluids can exhibit the anisotropic thermodynamic properties under magnetic fields. The dynamic optical properties of ferrofluids in the presence of magnetic fields are of particular interest due to their potential application as various optical devices. Although time-dependent light scattering by ferrofluids have been extensively studied, the effect of wavelength of incident light have been rarely considered. Here, for the first time, we investigated both the time- and wavelength-dependent light scattering in water based ferrofluids containing Fe3O4 nanoparticles under an external magnetic field. The field-induced response behavior of the prepared ferrofluid samples was determined and verified first by thermal conductivity measurement and numerical simulation. Double-beam UV-Vis spectrophotometer was employed to record the temporal evolution of transmitted intensity of incident light of various wavelengths passing through the ferrofluid sample and propagating parallel to the applied field. As expected, the light intensity decreases to a certain value right after the field is turned on due to the thermal fluctuation induced disorder inside the flexible particle chains. Then the light intensity further decreases with time until the appearance of a minimum at time τ0 followed by an inversed increase before finally reaches equilibrium at a particular time. More importantly, the characteristic inversion time τ0 was found to follow a power law increase with the wavelength of incident light (τ0 ∼ λα, where α = 2.07). A quantitative explanation for the wavelength dependence of characteristic time was proposed based on the finite-difference time-domain (FDTD) method. The simulation results are in good agreement with our experimental observations. The time-dependent light scattering in ferrofluids under different incident wavelengths was rationalized by considering both the coarsening process of the particle chains and the occurrence of resonance within the magnetic scatterers. Our finding should be of value for the development of various light-tunable optical devices.

Modular Elastomer Photoresins for Digital Light Processing Additive Manufacturing.

PubMed

Thrasher, Carl J; Schwartz, Johanna J; Boydston, Andrew J

2017-11-15

A series of photoresins suitable for the production of elastomeric objects via digital light processing additive manufacturing are reported. Notably, the printing procedure is readily accessible using only entry-level equipment under ambient conditions using visible light projection. The photoresin formulations were found to be modular in nature, and straightforward adjustments to the resin components enabled access to a range of compositions and mechanical properties. Collectively, the series includes silicones, hydrogels, and hybrids thereof. Printed test specimens displayed maximum elongations of up to 472% under tensile load, a tunable swelling behavior in water, and Shore A hardness values from 13.7 to 33.3. A combination of the resins was used to print a functional multimaterial three-armed pneumatic gripper. These photoresins could be transformative to advanced prototyping applications such as simulated human tissues, stimuli-responsive materials, wearable devices, and soft robotics.

Simulation and Measurement of Stray Light in the CLASP

NASA Technical Reports Server (NTRS)

Narukage, Noriyuki; Kano, Ryohei; Bando, Takamasa; Ishikawa, Ryoko; Kubo, Masahito; Tsuzuki, Toshihiro; Katsukawa, Yukio; Ishikawa, Shin-nosuke; Giono, Gabriel; Suematsu, Yoshinori;

Water jacket for solid particle solar receiver

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

Wasyluk, David T.

A solar receiver includes: water jacket panels each having a light-receiving side and a back side with a watertight sealed plenum defined in-between; light apertures passing through the watertight sealed plenums to receive light from the light-receiving sides of the water jacket panels; a heat transfer medium gap defined between the back sides of the water jacket panels and a cylindrical back plate; and light channeling tubes optically coupled with the light apertures and extending into the heat transfer medium gap. In some embodiments ends of the light apertures at the light receiving side of the water jacket panel aremore » welded together to define at least a portion of the light-receiving side. A cylindrical solar receiver may be constructed using a plurality of such water jacket panels arranged with their light-receiving sides facing outward.« less

Study on method to simulate light propagation on tissue with characteristics of radial-beam LED based on Monte-Carlo method.

PubMed

Song, Sangha; Elgezua, Inko; Kobayashi, Yo; Fujie, Masakatsu G

2013-01-01

In biomedical, Monte-carlo simulation is commonly used for simulation of light diffusion in tissue. But, most of previous studies did not consider a radial beam LED as light source. Therefore, we considered characteristics of a radial beam LED and applied them on MC simulation as light source. In this paper, we consider 3 characteristics of radial beam LED. The first is an initial launch area of photons. The second is an incident angle of a photon at an initial photon launching area. The third is the refraction effect according to contact area between LED and a turbid medium. For the verification of the MC simulation, we compared simulation and experimental results. The average of the correlation coefficient between simulation and experimental results is 0.9954. Through this study, we show an effective method to simulate light diffusion on tissue with characteristics for radial beam LED based on MC simulation.

21 CFR 352.71 - Light source (solar simulator).

Code of Federal Regulations, 2013 CFR

2013-04-01

... 21 Food and Drugs 5 2013-04-01 2013-04-01 false Light source (solar simulator). 352.71 Section 352... Procedures § 352.71 Light source (solar simulator). A solar simulator used for determining the SPF of a... of its total energy output contributed by nonsolar wavelengths shorter than 290 nanometers; and it...

21 CFR 352.71 - Light source (solar simulator).

Code of Federal Regulations, 2014 CFR

2014-04-01

... 21 Food and Drugs 5 2014-04-01 2014-04-01 false Light source (solar simulator). 352.71 Section 352.71 Food and Drugs FOOD AND DRUG ADMINISTRATION, DEPARTMENT OF HEALTH AND HUMAN SERVICES (CONTINUED... Procedures § 352.71 Light source (solar simulator). A solar simulator used for determining the SPF of a...

21 CFR 352.71 - Light source (solar simulator).

Code of Federal Regulations, 2012 CFR

2012-04-01

... 21 Food and Drugs 5 2012-04-01 2012-04-01 false Light source (solar simulator). 352.71 Section 352.71 Food and Drugs FOOD AND DRUG ADMINISTRATION, DEPARTMENT OF HEALTH AND HUMAN SERVICES (CONTINUED... Procedures § 352.71 Light source (solar simulator). A solar simulator used for determining the SPF of a...

On the successful use of a simplified model to simulate the succession of toxic cyanobacteria in a hypereutrophic reservoir with a highly fluctuating water level.

PubMed

Fadel, Ali; Lemaire, Bruno J; Vinçon-Leite, Brigitte; Atoui, Ali; Slim, Kamal; Tassin, Bruno

2017-09-01

Many freshwater bodies worldwide that suffer from harmful algal blooms would benefit for their management from a simple ecological model that requires few field data, e.g. for early warning systems. Beyond a certain degree, adding processes to ecological models can reduce model predictive capabilities. In this work, we assess whether a simple ecological model without nutrients is able to describe the succession of cyanobacterial blooms of different species in a hypereutrophic reservoir and help understand the factors that determine these blooms. In our study site, Karaoun Reservoir, Lebanon, cyanobacteria Aphanizomenon ovalisporum and Microcystis aeruginosa alternatively bloom. A simple configuration of the model DYRESM-CAEDYM was used; both cyanobacteria were simulated, with constant vertical migration velocity for A. ovalisporum, with vertical migration velocity dependent on light for M. aeruginosa and with growth limited by light and temperature and not by nutrients for both species. The model was calibrated on two successive years with contrasted bloom patterns and high variations in water level. It was able to reproduce the measurements; it showed a good performance for the water level (root-mean-square error (RMSE) lower than 1 m, annual variation of 25 m), water temperature profiles (RMSE of 0.22-1.41 °C, range 13-28 °C) and cyanobacteria biomass (RMSE of 1-57 μg Chl a L -1 , range 0-206 μg Chl a L -1 ). The model also helped understand the succession of blooms in both years. The model results suggest that the higher growth rate of M. aeruginosa during favourable temperature and light conditions allowed it to outgrow A. ovalisporum. Our results show that simple model configurations can be sufficient not only for theoretical works when few major processes can be identified but also for operational applications. This approach could be transposed on other hypereutrophic lakes and reservoirs to describe the competition between dominant phytoplankton species, contribute to early warning systems or be used for management scenarios.

A River Model Intercomparison Project in Preparation for SWOT

NASA Astrophysics Data System (ADS)

David, C. H.; Andreadis, K.; Famiglietti, J. S.; Beighley, E.; Boone, A. A.; Yamazaki, D.; Paiva, R. C. D.; Fleischmann, A. S.; Collischonn, W.; Fisher, C. K.; Kim, H.; Biancamaria, S.

2017-12-01

The Surface Water and Ocean Topography (SWOT) mission is currently scheduled to launch at the beginning of next decade. SWOT is expected to retrieve unprecedented measurements of water extent, elevation, and slope in the largest terrestrial water bodies. Such potential transformative information motivates the investigation of our ability to ingest the associated data into continental-scale models of terrestrial hydrology. In preparation for the expected SWOT observations, an inter-comparison of continental-scale river models is being performed. This comparison experiment focuses on four of the world's largest river basins: the Amazon, the Mississippi, the Niger, and the Saint-Lawrence. This ongoing project focuses on two main research questions: 1) How can we best prepare for the expected SWOT continental to global measurements before SWOT even flies?, and 2) What is the added value of including SWOT terrestrial measurements into global hydro models for enhancing our understanding of the terrestrial water cycle and the climate system? We present here the results of the second year of this project which now includes simulations from six numerical models of rivers over the Mississippi and sheds light on the implications of various modeling choices on simulation quality as well as on the potential impact of SWOT observations.

Different transport behaviors of NH4 (+) and NH3 in transmembrane cyclic peptide nanotubes.

PubMed

Zhang, Mingming; Fan, Jianfen; Xu, Jian; Weng, Peipei; Lin, Huifang

2016-10-01

Two water-filled transmembrane cyclic peptide nanotubes (CPNTs) of 8×cyclo-(WL)n=4,5/POPE were chosen to investigate the dependences of the transport properties of the positive NH4 (+) and neutral NH3 on the channel radius. Molecular dynamic simulations revealed that molecular charge, size, ability to form H-bonds and channel radius all significantly influence the behaviors of NH4 (+) and NH3 in a CPNT. Higher electrostatic interactions, more H-bonds, and water-bridges were found in the NH4 (+) system, resulting in NH4 (+) meeting higher energy barriers, while NH3 can enter, exit and permeate the channels effortlessly. This work sheds a first light on the differences between the mechanisms of NH4 (+) and NH3 moving in a CPNT at an atomic level. Graphical Abstract Snapshot of the simulation system of NH4 (+)_octa-CPNT with an NH4 (+) initially positioned at one mouth of the tube, PMF profiles for single NH4 (+) ion and NH3 molecule moving through water-filled transmembrane CPNTs of 8×cyclo-(WL)n=4,5/POPE and sketch graphs of the possible H-bond forms of NH3 and NH4 (+) with the neighboring water.

INL Experimental Program Roadmap for Thermal Hydraulic Code Validation

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

Glenn McCreery; Hugh McIlroy

2007-09-01

Advanced computer modeling and simulation tools and protocols will be heavily relied on for a wide variety of system studies, engineering design activities, and other aspects of the Next Generation Nuclear Power (NGNP) Very High Temperature Reactor (VHTR), the DOE Global Nuclear Energy Partnership (GNEP), and light-water reactors. The goal is for all modeling and simulation tools to be demonstrated accurate and reliable through a formal Verification and Validation (V&V) process, especially where such tools are to be used to establish safety margins and support regulatory compliance, or to design a system in a manner that reduces the role ofmore » expensive mockups and prototypes. Recent literature identifies specific experimental principles that must be followed in order to insure that experimental data meet the standards required for a “benchmark” database. Even for well conducted experiments, missing experimental details, such as geometrical definition, data reduction procedures, and manufacturing tolerances have led to poor Benchmark calculations. The INL has a long and deep history of research in thermal hydraulics, especially in the 1960s through 1980s when many programs such as LOFT and Semiscle were devoted to light-water reactor safety research, the EBRII fast reactor was in operation, and a strong geothermal energy program was established. The past can serve as a partial guide for reinvigorating thermal hydraulic research at the laboratory. However, new research programs need to fully incorporate modern experimental methods such as measurement techniques using the latest instrumentation, computerized data reduction, and scaling methodology. The path forward for establishing experimental research for code model validation will require benchmark experiments conducted in suitable facilities located at the INL. This document describes thermal hydraulic facility requirements and candidate buildings and presents examples of suitable validation experiments related to VHTRs, sodium-cooled fast reactors, and light-water reactors. These experiments range from relatively low-cost benchtop experiments for investigating individual phenomena to large electrically-heated integral facilities for investigating reactor accidents and transients.« less

Water quality, bed-sediment quality, and simulation of potential contaminant transport in Foster Creek, Berkeley County, South Carolina, 1991-93

USGS Publications Warehouse

Campbell, T.R.; Bower, D.E.

1996-01-01

Foster Creek, a freshwater tidal creek in Berkeley County, South Carolina, is located in an area of potential contaminant sources from residential, commercial, light industrial, and military activities. The creek is used as a secondary source of drinking water for the surrounding Charleston area. Foster Creek meets most of the freshwater- quality requirements of State and Federal regulatory agencies, but often contains low concentrations of dissolved oxygen and has been characterized as eutrophic. Investigations of water- and bed-sediment quality were made between 1991 and 1993 to assess the effects of anthropogenic sources of contamination on Foster Creek. Low-flow surface-water samples were generally free of toxic compounds with the exception of laboratory artifacts and naturally occurring trace metals. Storm-runoff samples generally contained very low concentrations (near detection limits) of a small number of volatile and semivolatile organics and naturally occurring trace metals. Concentrations of toxic compounds in excess of current (1995) South Carolina Department of Health and Environmental Control and U.S. Environmental Protection Agency regulations were not detected in surface-water samples collected from Foster Creek. Chemical analyses of streambed sediments indicated minimal anthropogenic effects on sediment quality. The particle-tracking option of the U.S. Geological Survey one-dimensional unsteady-flow model (BRANCH) indicated that as the simulated volume of rainfall runoff increased in the Foster Creek Basin, simulated particles in Foster Creek were transported greater distances. Simulating flow through the Bushy Park Dam (also known as Back River Dam) had little effect on particle movement in Foster Creek. Simulating typical withdrawal rates at a water-supply intake resulted in a slight attraction of particles toward the intake during conditions of relatively low runoff. These withdrawals had a greater influence on particles downstream of the intake than on those upstream of the intake. Simulations confirmed earlier findings which suggested that the creek would not flush during baseflow conditions, with the exception of the lower 1-mile reach, where flushing results from tidal movements. According to the simulations, Foster Creek will fully flush if a 2-year, 7-day storm occurs. Flushing appears to be affected more by the total volume of storm runoff than by typical municipal withdrawals or tidal effects.

Field data and numerical simulation of btex concentration trends under water table fluctuations: Example of a jet fuel-contaminated site in Brazil

NASA Astrophysics Data System (ADS)

Teramoto, Elias Hideo; Chang, Hung Kiang

2017-03-01

Mass transfer of light non-aqueous phase liquids (LNAPLs) trapped in porous media is a complex phenomenon. Water table fluctuations have been identified as responsible for generating significant variations in the concentration of dissolved hydrocarbons. Based on field evidence, this work presents a conceptual model and a numerical solution for mass transfer from entrapped LNAPL to groundwater controlled by both LNAPL saturation and seasonal water table fluctuations within the LNAPL smear zone. The numerical approach is capable of reproducing aqueous BTEX concentration trends under three different scenarios - water table fluctuating within smear zone, above the smear zone and partially within smear zone, resulting in in-phase, out-of-phase and alternating in-phase and out-of-phase BTEX concentration trend with respect to water table oscillation, respectively. The results demonstrate the model's applicability under observed field conditions and its ability to predict source zone depletion.

A Novel Diffuse Fraction-Based Two-Leaf Light Use Efficiency Model: An Application Quantifying Photosynthetic Seasonality across 20 AmeriFlux Flux Tower Sites

NASA Astrophysics Data System (ADS)

Yan, Hao; Wang, Shao-Qiang; Yu, Kai-Liang; Wang, Bin; Yu, Qin; Bohrer, Gil; Billesbach, Dave; Bracho, Rosvel; Rahman, Faiz; Shugart, Herman H.

2017-10-01

Diffuse radiation can increase canopy light use efficiency (LUE). This creates the need to differentiate the effects of direct and diffuse radiation when simulating terrestrial gross primary production (GPP). Here, we present a novel GPP model, the diffuse-fraction-based two-leaf model (DTEC), which includes the leaf response to direct and diffuse radiation, and treats maximum LUE for shaded leaves (ɛmsh defined as a power function of the diffuse fraction (Df)) and sunlit leaves (ɛmsu defined as a constant) separately. An Amazonian rainforest site (KM67) was used to calibrate the model by simulating the linear relationship between monthly canopy LUE and Df. This showed a positive response of forest GPP to atmospheric diffuse radiation, and suggested that diffuse radiation was more limiting than global radiation and water availability for Amazon rainforest GPP on a monthly scale. Further evaluation at 20 independent AmeriFlux sites showed that the DTEC model, when driven by monthly meteorological data and MODIS leaf area index (LAI) products, explained 70% of the variability observed in monthly flux tower GPP. This exceeded the 51% accounted for by the MODIS 17A2 big-leaf GPP product. The DTEC model's explicit accounting for the impacts of diffuse radiation and soil water stress along with its parameterization for C4 and C3 plants was responsible for this difference. The evaluation of DTEC at Amazon rainforest sites demonstrated its potential to capture the unique seasonality of higher GPP during the diffuse radiation-dominated wet season. Our results highlight the importance of diffuse radiation in seasonal GPP simulation.