Surface Water Data at Los Alamos National Laboratory 2006 Water Year

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

R.P. Romero, D. Ortiz, G. Kuyumjian

2007-08-01

The principal investigators collected and computed surface water discharge data from 44 stream-gaging stations that cover most of Los Alamos National Laboratory and one at Bandelier National Monument. Also included are discharge data from three springs--two that flow into Canon de Valle and one that flows into Water Canyon--and peak flow data for 44 stations.

Calculation of Water Drop Trajectories to and About Arbitrary Three-Dimensional Bodies in Potential Airflow

NASA Technical Reports Server (NTRS)

Norment, H. G.

1980-01-01

Calculations can be performed for any atmospheric conditions and for all water drop sizes, from the smallest cloud droplet to large raindrops. Any subsonic, external, non-lifting flow can be accommodated; flow into, but not through, inlets also can be simulated. Experimental water drop drag relations are used in the water drop equations of motion and effects of gravity settling are included. Seven codes are described: (1) a code used to debug and plot body surface description data; (2) a code that processes the body surface data to yield the potential flow field; (3) a code that computes flow velocities at arrays of points in space; (4) a code that computes water drop trajectories from an array of points in space; (5) a code that computes water drop trajectories and fluxes to arbitrary target points; (6) a code that computes water drop trajectories tangent to the body; and (7) a code that produces stereo pair plots which include both the body and trajectories. Code descriptions include operating instructions, card inputs and printouts for example problems, and listing of the FORTRAN codes. Accuracy of the calculations is discussed, and trajectory calculation results are compared with prior calculations and with experimental data.

Uranyl interaction with the hydrated (001) basal face of gibbsite: a combined theoretical and spectroscopic study.

PubMed

Veilly, Edouard; Roques, Jérôme; Jodin-Caumon, Marie-Camille; Humbert, Bernard; Drot, Romuald; Simoni, Eric

2008-12-28

The sorption of uranyl cations and water molecules on the basal (001) face of gibbsite was studied by combining vibrational and fluorescence spectroscopies together with density functional theory (DFT) computations. Both the calculated and experimental values of O-H bond lengths for the gibbsite bulk are in good agreement. In the second part, water sorption with this surface was studied to take into account the influence of hydration with respect to the uranyl adsorption. The computed water configurations agreed with previously published molecular dynamics studies. The uranyl adsorption in acidic media was followed by time-resolved laser-induced fluorescence spectroscopy and Raman spectrometry measurements. The existence of only one kind of adsorption site for the uranyl cation was then indicated in good agreement with the DFT calculations. The computation of the uranyl adsorption has been performed by means of a bidentate interaction with two surface oxygen atoms. The optimized structures displayed strong hydrogen bonds between the surface and the -yl oxygen of uranyl. The uranium-surface bond strength depends on the protonation state of the surface oxygen atoms. The calculated U-O(surface) bond lengths range between 2.1-2.2 and 2.6-2.7 A for the nonprotonated and protonated surface O atoms, respectively.

Isomerization reaction dynamics and equilibrium at the liquid-vapor interface of water. A molecular-dynamics study

NASA Technical Reports Server (NTRS)

Benjamin, Ilan; Pohorille, Andrew

1993-01-01

The gauche-trans isomerization reaction of 1,2-dichloroethane at the liquid-vapor interface of water is studied using molecular-dynamics computer simulations. The solvent bulk and surface effects on the torsional potential of mean force and on barrier recrossing dynamics are computed. The isomerization reaction involves a large change in the electric dipole moment, and as a result the trans/gauche ratio is considerably affected by the transition from the bulk solvent to the surface. Reactive flux correlation function calculations of the reaction rate reveal that deviation from the transition-state theory due to barrier recrossing is greater at the surface than in the bulk water. This suggests that the system exhibits non-Rice-Ramsperger-Kassel-Marcus behavior due to the weak solvent-solute coupling at the water liquid-vapor interface.

Digital-model simulation of the glacial-outwash aquifer, Otter Creek-Dry Creek basin, Cortland County, New York

USGS Publications Warehouse

Cosner, O.J.; Harsh, J.F.

1978-01-01

The city of Cortland, New York, and surrounding areas obtain water from the highly productive glacial-outwash aquifer underlying the Otter Creek-Dry Creek basin. Pumpage from the aquifer in 1976 was approximately 6.3 million gallons per day and is expected to increase as a result of population growth and urbanization. A digital ground-water model that uses a finite-difference approximation technique to solve partial differential equations of flow through a porous medium was used to simulate the movement of water within the aquifer. The model was calibrated to equilibrium conditions by comparing water levels measured in the aquifer in March 1976 with those computed by the model. Then, from the simulated water-level surface for March, a transient-condition run was made to simulate the surface as measured in September 1976. Computed water levels presented as contours are generally in close agreement with potentiometric-surface maps prepared from field measurements of March and September 1976. (Woodard-USGS)

Implementation and use of direct-flow connections in a coupled ground-water and surface-water model

USGS Publications Warehouse

Swain, Eric D.

1994-01-01

The U.S. Geological Survey's MODFLOW finite-difference ground-water flow model has been coupled with three surface-water packages - the MODBRANCH, River, and Stream packages - to simulate surface water and its interaction with ground water. Prior to the development of the coupling packages, the only interaction between these modeling packages was that leakage values could be passed between MODFLOW and the three surface-water packages. To facilitate wider and more flexible uses of the models, a computer program was developed and added to MODFLOW to allow direct flows or stages to be passed between any of the packages and MODFLOW. The flows or stages calculated in one package can be set as boundary discharges or stages to be used in another package. Several modeling packages can be used in the same simulation depending upon the level of sophistication needed in the various reaches being modeled. This computer program is especially useful when any of the River, Stream, or MODBRANCH packages are used to model a river flowing directly into or out of wetlands in direct connection with the aquifer and represented in the model as an aquifer block. A field case study is shown to illustrate an application.

Evidence for phase separation of ethanol-water mixtures at the hydrogen terminated nanocrystalline diamond surface.

PubMed

Janssens, Stoffel D; Drijkoningen, Sien; Saitner, Marc; Boyen, Hans-Gerd; Wagner, Patrick; Larsson, Karin; Haenen, Ken

2012-07-28

Interactions between ethanol-water mixtures and a hydrophobic hydrogen terminated nanocrystalline diamond surface, are investigated by sessile drop contact angle measurements. The surface free energy of the hydrophobic surface, obtained with pure liquids, differs strongly from values obtained by ethanol-water mixtures. Here, a model which explains this difference is presented. The model suggests that, due to a higher affinity of ethanol for the hydrophobic surface, when compared to water, a phase separation occurs when a mixture of both liquids is in contact with the H-terminated diamond surface. These results are supported by a computational study giving insight in the affinity and related interaction at the liquid-solid interface.

A global, 30-m resolution land-surface water body dataset for 2000

NASA Astrophysics Data System (ADS)

Feng, M.; Sexton, J. O.; Huang, C.; Song, D. X.; Song, X. P.; Channan, S.; Townshend, J. R.

2014-12-01

Inland surface water is essential to terrestrial ecosystems and human civilization. The distribution of surface water in space and its change over time are related to many agricultural, environmental and ecological issues, and are important factors that must be considered in human socioeconomic development. Accurate mapping of surface water is essential for both scientific research and policy-driven applications. Satellite-based remote sensing provides snapshots of Earth's surface and can be used as the main input for water mapping, especially in large areas. Global water areas have been mapped with coarse resolution remotely sensed data (e.g., the Moderate Resolution Imaging Spectroradiometer (MODIS)). However, most inland rivers and water bodies, as well as their changes, are too small to map at such coarse resolutions. Landsat TM (Thematic Mapper) and ETM+ (Enhanced Thematic Mapper Plus) imagery has a 30m spatial resolution and provides decades of records (~40 years). Since 2008, the opening of the Landsat archive, coupled with relatively lower costs associated with computing and data storage, has made comprehensive study of the dynamic changes of surface water over large even global areas more feasible. Although Landsat images have been used for regional and even global water mapping, the method can hardly be automated due to the difficulties on distinguishing inland surface water with variant degrees of impurities and mixing of soil background with only Landsat data. The spectral similarities to other land cover types, e.g., shadow and glacier remnants, also cause misidentification. We have developed a probabilistic based automatic approach for mapping inland surface water bodies. Landsat surface reflectance in multiple bands, derived water indices, and data from other sources are integrated to maximize the ability of identifying water without human interference. The approach has been implemented with open-source libraries to facilitate processing large amounts of Landsat images on high-performance computing machines. It has been applied to the ~9,000 Landsat scenes of the Global Land Survey (GLS) 2000 data collection to produce a global, 30m resolution inland surface water body data set, which will be made available on the Global Land Cover Facility (GLCF) website (http://www.landcover.org).

First-principles study of water desorption from montmorillonite surface.

PubMed

Zhang, Yao; Meng, Yingfeng; Liu, Houbin; Yang, Mingli

2016-05-01

Knowledge about water desorption is important to give a full picture of water diffusion in montmorillonites (MMT), which is a driving factor in MMT swelling. The desorption paths and energetics of water molecules from the surface of MMT with trapped Li(+), Na(+) or K(+) counterions were studied using periodic density functional theory calculations. Two paths--surface and vacuum desorption--were designed for water desorption starting from a stationary structure in which water bonds with both the counterion and the MMT surface. Surface desorption is energetically more favorable than vacuum desorption due to water-surface hydrogen bonds that help stabilize the intermediate structure of water released from the counterion. The energy barriers of water desorption are in the order of Li(+) > Na(+) > K(+), which can be attributed to the short ionic radius of Li(+), which favors strong binding with the water molecule. The temperature dependence of water adsorption and desorption rates were compared based on the computed activation energies. Our calculations reveal that the water desorption on the MMT surface has a different mechanism from water adsorption, which results from surface effects favoring stabilization of water conformers during the desorption process.

Calculation of water drop trajectories to and about arbitrary three-dimensional lifting and nonlifting bodies in potential airflow

NASA Technical Reports Server (NTRS)

Norment, H. G.

1985-01-01

Subsonic, external flow about nonlifting bodies, lifting bodies or combinations of lifting and nonlifting bodies is calculated by a modified version of the Hess lifting code. Trajectory calculations can be performed for any atmospheric conditions and for all water drop sizes, from the smallest cloud droplet to large raindrops. Experimental water drop drag relations are used in the water drop equations of motion and effects of gravity settling are included. Inlet flow can be accommodated, and high Mach number compressibility effects are corrected for approximately. Seven codes are described: (1) a code used to debug and plot body surface description data; (2) a code that processes the body surface data to yield the potential flow field; (3) a code that computes flow velocities at arrays of points in space; (4) a code that computes water drop trajectories from an array of points in space; (5) a code that computes water drop trajectories and fluxes to arbitrary target points; (6) a code that computes water drop trajectories tangent to the body; and (7) a code that produces stereo pair plots which include both the body and trajectories. Accuracy of the calculations is discussed, and trajectory calculation results are compared with prior calculations and with experimental data.

PALADYN v1.0, a comprehensive land surface-vegetation-carbon cycle model of intermediate complexity

NASA Astrophysics Data System (ADS)

Willeit, Matteo; Ganopolski, Andrey

2016-10-01

PALADYN is presented; it is a new comprehensive and computationally efficient land surface-vegetation-carbon cycle model designed to be used in Earth system models of intermediate complexity for long-term simulations and paleoclimate studies. The model treats in a consistent manner the interaction between atmosphere, terrestrial vegetation and soil through the fluxes of energy, water and carbon. Energy, water and carbon are conserved. PALADYN explicitly treats permafrost, both in physical processes and as an important carbon pool. It distinguishes nine surface types: five different vegetation types, bare soil, land ice, lake and ocean shelf. Including the ocean shelf allows the treatment of continuous changes in sea level and shelf area associated with glacial cycles. Over each surface type, the model solves the surface energy balance and computes the fluxes of sensible, latent and ground heat and upward shortwave and longwave radiation. The model includes a single snow layer. Vegetation and bare soil share a single soil column. The soil is vertically discretized into five layers where prognostic equations for temperature, water and carbon are consistently solved. Phase changes of water in the soil are explicitly considered. A surface hydrology module computes precipitation interception by vegetation, surface runoff and soil infiltration. The soil water equation is based on Darcy's law. Given soil water content, the wetland fraction is computed based on a topographic index. The temperature profile is also computed in the upper part of ice sheets and in the ocean shelf soil. Photosynthesis is computed using a light use efficiency model. Carbon assimilation by vegetation is coupled to the transpiration of water through stomatal conductance. PALADYN includes a dynamic vegetation module with five plant functional types competing for the grid cell share with their respective net primary productivity. PALADYN distinguishes between mineral soil carbon, peat carbon, buried carbon and shelf carbon. Each soil carbon type has its own soil carbon pools generally represented by a litter, a fast and a slow carbon pool in each soil layer. Carbon can be redistributed between the layers by vertical diffusion and advection. For the vegetated macro surface type, decomposition is a function of soil temperature and soil moisture. Carbon in permanently frozen layers is assigned a long turnover time which effectively locks carbon in permafrost. Carbon buried below ice sheets and on flooded ocean shelves is treated differently. The model also includes a dynamic peat module. PALADYN includes carbon isotopes 13C and 14C, which are tracked through all carbon pools. Isotopic discrimination is modelled only during photosynthesis. A simple methane module is implemented to represent methane emissions from anaerobic carbon decomposition in wetlands (including peatlands) and flooded ocean shelf. The model description is accompanied by a thorough model evaluation in offline mode for the present day and the historical period.

Water Resources Data for California, 1965; Part 1: Surface Water Records; Volume 2: Northern Great Basin and Central Valley

USGS Publications Warehouse

1965-01-01

The surface-water records for the 1965 water year for gaging stations, partial-record stations, and miscellaneous sites within California are given in this report. For convenience, also included are records for a few pertinent gaging stations in bordering States. The records were collected and computed by the Water Resources Division of the U.S. Geological Survey, under the direction of Walter Hofmann, district chief, Menlo Park, Calif.

Computational Fluid Dynamic Simulation of Flow in Abrasive Water Jet Machining

NASA Astrophysics Data System (ADS)

Venugopal, S.; Sathish, S.; Jothi Prakash, V. M.; Gopalakrishnan, T.

2017-03-01

Abrasive water jet cutting is one of the most recently developed non-traditional manufacturing technologies. In this machining, the abrasives are mixed with suspended liquid to form semi liquid mixture. The general nature of flow through the machining, results in fleeting wear of the nozzle which decrease the cutting performance. The inlet pressure of the abrasive water suspension has main effect on the major destruction characteristics of the inner surface of the nozzle. The aim of the project is to analyze the effect of inlet pressure on wall shear and exit kinetic energy. The analysis could be carried out by changing the taper angle of the nozzle, so as to obtain optimized process parameters for minimum nozzle wear. The two phase flow analysis would be carried by using computational fluid dynamics tool CFX. It is also used to analyze the flow characteristics of abrasive water jet machining on the inner surface of the nozzle. The availability of optimized process parameters of abrasive water jet machining (AWJM) is limited to water and experimental test can be cost prohibitive. In this case, Computational fluid dynamics analysis would provide better results.

REGRESSION ANALYSIS OF SEA-SURFACE-TEMPERATURE PATTERNS FOR THE NORTH PACIFIC OCEAN.

DTIC Science & Technology

SEA WATER, *SURFACE TEMPERATURE, *OCEANOGRAPHIC DATA, PACIFIC OCEAN, REGRESSION ANALYSIS , STATISTICAL ANALYSIS, UNDERWATER EQUIPMENT, DETECTION, UNDERWATER COMMUNICATIONS, DISTRIBUTION, THERMAL PROPERTIES, COMPUTERS.

Water Resources Data for California, 1967; Part 1: Surface Water Records; Volume 2: Northern Great Basin and Central Valley

USGS Publications Warehouse

1968-01-01

The surface-water records for the 1967 water year for gaging stations, partial-record stations, and miscellaneous sites within California are given in this report. For convenience, also included are records for a few pertinent gaging stations in bordering States. The records were collected and computed by the Water Resources Division of the U.S. Geological Survey, under the direction of R. Stanley Lord, district chief, Menlo Park, Calif.

Water Resources Data for California, 1967; Part 1: Surface Water Records; Volume 1: Colorado River Basin, Southern Great Basin, and Pacific Slope Basins excluding Central Valley

USGS Publications Warehouse

1968-01-01

The surface-water records for the 1967 water year for gaging stations, partial-record stations, and miscellaneous sites within California are given in this report. For convenience, also included are records for a few pertinent gaging stations in bordering States. The records were collected and computed by the Water Resources Division of the U.S. Geological Survey, under the direction of R. Stanley Lord, district chief, Menlo Park, Calif.

Water resources data for California, 1968; Part 1: Surface water records; Volume 1: Colorado River Basin, Southern Great Basin, and Pacific Slope Basins excluding Central Valley

USGS Publications Warehouse

,

1969-01-01

The surface-water records for the 1968 water year for gaging stations, partial-record stations, and miscellaneous sites within California are given in this report. For convenience, also included are records for a few pertinent gaging stations in bordering States. The records were collected and computed by the Water Resources Division of the U.S. Geological Survey, under the direction of R. Stanley Lord, district chief, Menlo Park, Calif.

Water Resources Data for California, 1968; Part 1: Surface Water Records; Volume 2: Northern Great Basin and Central Valley

USGS Publications Warehouse

,

1969-01-01

The surface-water records for the 1968 water year for gaging stations, partial-record stations, and miscellaneous sites within California are given in this report. For convenience, also included are records for a few pertinent gaging stations in bordering States. The records were collected and computed by the water Resources Division of the U.S. Geological Survey, under the direction of R. Stanley Lord, district chief, Menlo Park, Calif.

Water Resources Data for California, 1966; Part 1: Surface Water Records; Volume 2: Northern Great Basin and Central Valley

USGS Publications Warehouse

1967-01-01

The surface-water records for the 1966 water year for gaging stations, partial-record stations, and miscellaneous sites within California are given in this report. For convenience, also included are records for a few pertinent gaging stations in bordering States. The records were collected and computed by the Water Resources Division of the U.S. Geological Survey, under the direction of Walter Hofmann and R. Stanley Lord, successive district chiefs, Menlo Park, Calif.

Water Resources Data for California, 1965; Part 1: Surface Water Records; Volume 1: Colorado River Basin, Southern Great Basin, and Pacific Slope Basins excluding Central Valley

USGS Publications Warehouse

1965-01-01

The surface-water records for the 1965 water year for gaging stations, partial-record stations, and miscellaneous sites within California are given in this report. For convenience, also included are records for a few pertinent gaging stations in bordering States. The records were collected and computed by the Water Resources Division of the U.S. Geological Survey, under the direction of Walter Hofmann, district chief, Menlo Park, Calif.

Using Flux Site Observations to Calibrate Root System Architecture Stencils for Water Uptake of Plant Functional Types in Land Surface Models.

NASA Astrophysics Data System (ADS)

Bouda, M.

2017-12-01

Root system architecture (RSA) can significantly affect plant access to water, total transpiration, as well as its partitioning by soil depth, with implications for surface heat, water, and carbon budgets. Despite recent advances in land surface model (LSM) descriptions of plant hydraulics, RSA has not been included because of its three-dimensional complexity, which makes RSA modelling generally too computationally costly. This work builds upon the recently introduced "RSA stencil," a process-based 1D layered model that captures the dynamic shifts in water potential gradients of 3D RSA in response to heterogeneous soil moisture profiles. In validations using root systems calibrated to the rooting profiles of four plant functional types (PFT) of the Community Land Model, the RSA stencil predicts plant water potentials within 2% of the outputs of full 3D models, despite its trivial computational cost. In transient simulations, the RSA stencil yields improved predictions of water uptake and soil moisture profiles compared to a 1D model based on root fraction alone. Here I show how the RSA stencil can be calibrated to time-series observations of soil moisture and transpiration to yield a water uptake PFT definition for use in terrestrial models. This model-data integration exercise aims to improve LSM predictions of soil moisture dynamics and, under water-limiting conditions, surface fluxes. These improvements can be expected to significantly impact predictions of downstream variables, including surface fluxes, climate-vegetation feedbacks and soil nutrient cycling.

Water Quality Records in California

USGS Publications Warehouse

1964-01-01

The quality-of-water investigations of the U.S. Geological Survey are concerned with the chemical and physical characteristics of surface and ground water supplies of the Nation in conjunction with water usage and its availability. The basic records for the 1964 water year for quality of surface waters within the State of California are given in this report. For convenience and interest there are also records for a few water quality stations in bordering States. The data were collected and computed by the Water Resources Division of the U.S. Geological Survey, under the direction of Eugene Brown, district chemist, Quality of Water Branch.

Quality of waters in California

USGS Publications Warehouse

,

1963-01-01

The quality-of-water investigations of the U.S. Geological Survey are concerned with the chemical and physical characteristics of surface and ground water supplies of the nation in conjunction with water usage and its availability. The basic records for the 1963 water year for quality of surface waters within the State of California are given in this report. For convenience and interest there are also records for a few water quality stations in bordering states. The data were collected and computed by the Water Resources Division of the U.S. Geological Survey, under the direction of Eugene Brown, district chemist, Quality of Water Branch.

A summary of measured hydraulic data for the series of steady and unsteady flow experiments over patterned roughness

USGS Publications Warehouse

Collins, Dannie L.; Flynn, Kathleen M.

1979-01-01

This report summarizes and makes available to other investigators the measured hydraulic data collected during a series of experiments designed to study the effect of patterned bed roughness on steady and unsteady open-channel flow. The patterned effect of the roughness was obtained by clear-cut mowing of designated areas of an otherwise fairly dense coverage of coastal Bermuda grass approximately 250 mm high. All experiments were conducted in the Flood Plain Simulation Facility during the period of October 7 through December 12, 1974. Data from 18 steady flow experiments and 10 unsteady flow experiments are summarized. Measured data included are ground-surface elevations, grass heights and densities, water-surface elevations and point velocities for all experiments. Additional tables of water-surface elevations and measured point velocities are included for the clear-cut areas for most experiments. One complete set of average water-surface elevations and one complete set of measured point velocities are tabulated for each steady flow experiment. Time series data, on a 2-minute time interval, are tabulated for both water-surface elevations and point velocities for each unsteady flow experiment. All data collected, including individual records of water-surface elevations for the steady flow experiments, have been stored on computer disk storage and can be retrieved using the computer programs listed in the attachment to this report. (Kosco-USGS)

Application of X-ray computed microtomography to soil craters formed by raindrop splash

NASA Astrophysics Data System (ADS)

Beczek, Michał; Ryżak, Magdalena; Lamorski, Krzysztof; Sochan, Agata; Mazur, Rafał; Bieganowski, Andrzej

2018-02-01

The creation of craters on the soil surface is part of splash erosion. Due to the small size of these craters, they are difficult to study. The main aim of this paper was to test X-ray computed microtomography to investigate craters formed by raindrop impacts. Measurements were made on soil samples moistened to three different levels corresponding with soil water potentials of 0.1, 3.16 and 16 kPa. Using images obtained by X-ray microtomography, geometric parameters of the craters were recorded and analysed. X-ray computed microtomography proved to be a useful and efficient tool for the investigation of craters formed on the soil surface after the impact of water drops. The parameters of the craters changed with the energy of the water drops and were dependent on the initial moisture content of the soil. Crater depth is more dependent on the increased energy of the water drop than crater diameter.

Event-based estimation of water budget components using the network of multi-sensor capacitance probes

USDA-ARS?s Scientific Manuscript database

A time-scale-free approach was developed for estimation of water fluxes at boundaries of monitoring soil profile using water content time series. The approach uses the soil water budget to compute soil water budget components, i.e. surface-water excess (Sw), infiltration less evapotranspiration (I-E...

Toward ab initio molecular dynamics modeling for sum-frequency generation spectra; an efficient algorithm based on surface-specific velocity-velocity correlation function.

PubMed

Ohto, Tatsuhiko; Usui, Kota; Hasegawa, Taisuke; Bonn, Mischa; Nagata, Yuki

2015-09-28

Interfacial water structures have been studied intensively by probing the O-H stretch mode of water molecules using sum-frequency generation (SFG) spectroscopy. This surface-specific technique is finding increasingly widespread use, and accordingly, computational approaches to calculate SFG spectra using molecular dynamics (MD) trajectories of interfacial water molecules have been developed and employed to correlate specific spectral signatures with distinct interfacial water structures. Such simulations typically require relatively long (several nanoseconds) MD trajectories to allow reliable calculation of the SFG response functions through the dipole moment-polarizability time correlation function. These long trajectories limit the use of computationally expensive MD techniques such as ab initio MD and centroid MD simulations. Here, we present an efficient algorithm determining the SFG response from the surface-specific velocity-velocity correlation function (ssVVCF). This ssVVCF formalism allows us to calculate SFG spectra using a MD trajectory of only ∼100 ps, resulting in the substantial reduction of the computational costs, by almost an order of magnitude. We demonstrate that the O-H stretch SFG spectra at the water-air interface calculated by using the ssVVCF formalism well reproduce those calculated by using the dipole moment-polarizability time correlation function. Furthermore, we applied this ssVVCF technique for computing the SFG spectra from the ab initio MD trajectories with various density functionals. We report that the SFG responses computed from both ab initio MD simulations and MD simulations with an ab initio based force field model do not show a positive feature in its imaginary component at 3100 cm(-1).

Estimated depth to the water table and estimated rate of recharge in outcrops of the Chicot and Evangeline aquifers near Houston, Texas

USGS Publications Warehouse

Noble, J.E.; Bush, P.W.; Kasmarek, M.C.; Barbie, D.L.

1996-01-01

In 1989, the U.S. Geological Survey, in cooperation with the Harris-Galveston Coastal Subsidence District, began a field study to determine the depth to the water table and to estimate the rate of recharge in outcrops of the Chicot and Evangeline aquifers near Houston, Texas. The study area comprises about 2,000 square miles of outcrops of the Chicot and Evangeline aquifers in northwest Harris County, Montgomery County, and southern Walker County. Because of the scarcity of measurable water-table wells, depth to the water table below land surface was estimated using a surface geophysical technique, seismic refraction. The water table in the study area generally ranges from about 10 to 30 foot below land surface and typically is deeper in areas of relatively high land-surface altitude than in areas of relatively low land- surface altitude. The water table has demonstrated no long-term trends since ground-water development began, with the probable exception of the water table in the Katy area: There the water table is more than 75 feet deep, probably due to ground-water pumpage from deeper zones. An estimated rate of recharge in the aquifer outcrops was computed using the interface method in which environmental tritium is a ground-water tracer. The estimated average total recharge rate in the study area is 6 inches per year. This rate is an upper bound on the average recharge rate during the 37 years 1953-90 because it is based on the deepest penetration (about 80 feet) of postnuclear-testing tritium concentrations. The rate, which represents one of several components of a complex regional hydrologic budget, is considered reasonable but is not definitive because of uncertainty regarding the assumptions and parameters used in its computation.

Modification of silicon nitride surfaces with GOPES and APTES for antibody immobilization: computational and experimental studies

NASA Astrophysics Data System (ADS)

Dien To, Thien; Nguyen, Anh Tuan; Nhat Thanh Phan, Khoa; Thu Thi Truong, An; Doan, Tin Chanh Duc; Mau Dang, Chien

2015-12-01

Chemical modification of silicon nitride (SiN) surfaces by silanization has been widely studied especially with 3-(aminopropyl)triethoxysilane (APTES) and 3-(glycidyloxypropyl) dimethylethoxysilane (GOPES). However few reports performed the experimental and computational studies together. In this study, surface modification of SiN surfaces with GOPES and APTES covalently bound with glutaraldehyde (GTA) was investigated for antibody immobilization. The monoclonal anti-cytokeratin-FITC (MACF) antibody was immobilized on the modified SiN surfaces. The modified surfaces were characterized by water contact angle measurements, atomic force microscopy and fluorescence microscopy. The FITC-fluorescent label indicated the existence of MACF antibody on the SiN surfaces and the efficiency of the silanization reaction. Absorption of APTES and GOPES on the oxidized SiN surfaces was computationally modeled and calculated by Materials Studio software. The computational and experimental results showed that modification of the SiN surfaces with APTES and GTA was more effective than the modification with GOPES.

Water adsorption on the Fe3O4(111) surface: dissociation and network formation.

PubMed

Zaki, Eman; Mirabella, Francesca; Ivars-Barceló, Francisco; Seifert, Jan; Carey, Spencer; Shaikhutdinov, Shamil; Freund, Hans-Joachim; Li, Xiaoke; Paier, Joachim; Sauer, Joachim

2018-06-13

We monitored adsorption of water on a well-defined Fe3O4(111) film surface at different temperatures as a function of coverage using infrared reflection-absorption spectroscopy, temperature programmed desorption, and single crystal adsorption calorimetry. Additionally, density functional theory was employed using a Fe3O4(111)-(2 × 2) slab model to generate 15 energy minimum structures for various coverages. Corresponding vibrational properties of the adsorbed water species were also computed. The results show that water molecules readily dissociate on regular surface Fetet1-O ion pairs to form "monomers", i.e., terminal Fe-OH and surface OH groups. Further water molecules adsorb on the hydroxyl covered surface non-dissociatively and form "dimers" and larger oligomers, which ultimately assemble into an ordered (2 × 2) hydrogen-bonded network structure with increasing coverage prior to the formation of a solid water film.

Energetic and entropic components of the Tolman length for mW and TIP4P/2005 water nanodroplets

NASA Astrophysics Data System (ADS)

Joswiak, Mark N.; Do, Ryan; Doherty, Michael F.; Peters, Baron

2016-11-01

The surface free energy of a droplet is approximately γ ( R ) = γ ( ∞ ) ( 1 - 2 δ / R ) , with R being the droplet radius and δ being the Tolman length. Here we use the mitosis method to compute δ = - 0.56 ± 0.1 Å at 300 K for mW water, indicating that γ ( R ) increases as the droplet size decreases. The computed Tolman length agrees quite well with a previous study of TIP4P/2005 water. We also decompose the size-dependent surface free energy into energetic and entropic contributions for the mW and TIP4P/2005 force fields. Despite having similar Tolman lengths, the energy-entropy decompositions are very different for the two force fields. We discuss critical assumptions which lead to these findings and their relation to experiments on the nucleation of water droplets. We also discuss surface broken bonds and structural correlations as possible explanations for the energetic and entropic contributions.

Reconnaissance of surface-water resources in the Kobuk River basin, Alaska, 1979-80

USGS Publications Warehouse

Childers, J.M.; Kernodle, D.R.

1983-01-01

Surface water data were collected at selected sites in the Kobuk River Basin in northwest Alaska in August 1979 and April 1980. In August 1979, frequent heavy rains caused abnormally high flows in the basin; unit runoff values, computed from discharge measurements at 25 sites, ranged from 0.08 to 12.2 cu ft/sec/sq mi. Mean unit runoff for August computed from 13 years of record at a stream gaging station on the Kobuk River ranged from 1 to 3 cu ft/sec/sq mi. Unit runoff computed from discharge measurements made at eight sites in April 1980 ranged from 0 to 0.30 cubic feet per second per square mile. These values are in reasonable agreement with those derived from the record at the gaging station. High-water marks of maximum evident floods and evidence of ice-affected flooding were found at near bankfull stages at 17 sites on the Kobuk River and its tributaries. Computed unit runoff for the maximum evident floods generally decreases with increasing drainage area. Unit runoff ranges from about 50 to 75 cu ft/sec/sq mi for drainage areas < 1,000 sq mi to < 25 cu ft/sec/sq mi for larger areas. Field determinations were made of water temperature, pH, alkalinity, dissolved-oxygen concentration, and specific conductance, and discharge was measured at about 40 stream sites and one spring. Water samples for laboratory analysis of dissolved inorganic constituents and biological samples were collected in August 1979. Water quality data indicate that the surface waters would be acceptable for most uses; they are a calcium bicarbonate type having dissolved-solids concentrations between 50 and 140 milligm/liter. The pristine nature of the waters is also indicated by the overall diversity and composition of its benthic invertebrate community. A more highly mineralized (about 550 milligm/liter dissolved solids) sodium bicarbonate water flows from Reed River Hot Spring. (USGS)

Interaction of SO2 with the Surface of a Water Nanodroplet.

PubMed

Zhong, Jie; Zhu, Chongqin; Li, Lei; Richmond, Geraldine L; Francisco, Joseph S; Zeng, Xiao Cheng

2017-11-29

We present a comprehensive computational study of interaction of a SO 2 with water molecules in the gas phase and with the surface of various sized water nanodroplets to investigate the solvation behavior of SO 2 in different atmospheric environments. Born-Oppenheimer molecular dynamics (BOMD) simulation shows that, in the gas phase and at a temperature of 300 K, the dominant interaction between SO 2 and H 2 O is (SO 2 ) S···O (H 2 O) , consistent with previous density-functional theory (DFT) computation at 0 K. However, at the surface of a water nanodroplet, BOMD simulation shows that the hydrogen-bonding interaction of (SO 2 ) O···H (H 2 O) becomes increasingly important with the increase of droplet size, reflecting a marked effect of the water surface on the SO 2 solvation. This conclusion is in good accordance with spectroscopy evidence obtained previously (J. Am. Chem. Soc. 2005, 127, 16806; J. Am. Chem. Soc. 2006, 128, 3256). The prevailing interaction (SO 2 ) O···H (H 2 O) on a large droplet is mainly due to favorable exposure of H atoms of H 2 O at the air-water interface. Indeed, the conversion of the dominant interaction in the gas phase (SO 2 ) S···O (H 2 O) to the dominant interaction on the water nanodroplet (SO 2 ) O···H (H 2 O) may incur effects on the SO 2 chemistry in atmospheric aerosols because the solvation of SO 2 at the water surface can affect the reactive sites and electrophilicity of SO 2 . Hence, the solvation of SO 2 on the aerosol surface may have new implications when studying SO 2 chemistry in the aerosol-containing troposphere.

Simulated peak flows and water-surface profiles for Scott Creek near Sylva, North Carolina

USGS Publications Warehouse

Pope, B.F.

1996-01-01

Peak flows were simulated for Scott Creek, just upstream from Sylva, in Jackson County, North Carolina, in order to provide Jackson County officials with information that can be used to improve preparation for and response to flash floods along the reach of Scott Creek that flows through Sylva. A U.S. Geological Survey rainfall-runoff model was calibrated using observed rainfall and streamflow data collected from March 1994 through September 1995. Standard errors for calibration were 34 percent for runoff volumes and 21 percent for peak flows. The calibrated model was used to simulate peak flows resulting from syn- thetic rainfall amounts of 1.0, 2.5, 5.0, and 7.5 inches in 24-hour periods. For each rainfall amount, peak flows were simulated under low-, moderate-, and high-antecedent soil-moisture conditions, represented by selected 3-month periods of daily rainfall and evaporation record from nearby climatic-data measuring stations. Simulated peak flows ranged from 89 to 10,100 cubic feet per second. Profiles of water-surface elevations for selected observed and simu- lated peak flows were computed for the reach of Scott Creek that flows through Sylva, North Carolina. The profiles were computed using the U.S. Army Corps of Engineers HEC-2 Water Surface Profiles computer program and channel cross-section data collected by the Tennessee Valley Authority. The stage-discharge relation for Scott Creek at the simulation site has changed since the collection of the cross-section data. These changes, however, are such that the water-surface profiles presented in this report likely overestimate the true water-surface elevations at the simulation site for a given peak flow

Calm water resistance prediction of a bulk carrier using Reynolds averaged Navier-Stokes based solver

NASA Astrophysics Data System (ADS)

Rahaman, Md. Mashiur; Islam, Hafizul; Islam, Md. Tariqul; Khondoker, Md. Reaz Hasan

2017-12-01

Maneuverability and resistance prediction with suitable accuracy is essential for optimum ship design and propulsion power prediction. This paper aims at providing some of the maneuverability characteristics of a Japanese bulk carrier model, JBC in calm water using a computational fluid dynamics solver named SHIP Motion and OpenFOAM. The solvers are based on the Reynolds average Navier-Stokes method (RaNS) and solves structured grid using the Finite Volume Method (FVM). This paper comprises the numerical results of calm water test for the JBC model with available experimental results. The calm water test results include the total drag co-efficient, average sinkage, and trim data. Visualization data for pressure distribution on the hull surface and free water surface have also been included. The paper concludes that the presented solvers predict the resistance and maneuverability characteristics of the bulk carrier with reasonable accuracy utilizing minimum computational resources.

Do initial conditions matter? A comparison of model climatologies generated from different initial states

NASA Technical Reports Server (NTRS)

Spar, J.; Cohen, C.; Wu, P.

1981-01-01

A coarse mesh (8 by 10) 7 layer global climate model was used to compute 15 months of meteorological history in two perpetual January experiments on a water planet (without continents) with a zonally symmetric climatological January sea surface temperature field. In the first of the two water planet experiments the initial atmospheric state was a set of zonal mean values of specific humidity, temperature, and wind at each latitude. In the second experiment the model was initialized with globally uniform mean values of specific humidity and temperature on each sigma level surface, constant surface pressure (1010 mb), and zero wind everywhere. A comparison was made of the mean January climatic states generated by the two water planet experiments. The first two months of each 15 January run were discarded, and 13 month averages were computed from months 3 through 15.

Water Resources Data for California, 1966; Part 1: Surface Water Records; Volume 1: Colorado River Basin, Southern Great Basin, and Pacific Slope Basins excluding Cenral Valley

USGS Publications Warehouse

1967-01-01

The surface-water records for the 1966 water year for gaging stations, partial-record stations, and miscellaneous sites within California are given in this report. For convenience, also included are records for a few pertinent gaging stations in bordering States. The records were collected and computed by the Water Resources Division of the U.S. Geological Survey, under the direction of Walter Hofmann and R. Stanley Lord, successive district chiefs, Menlo Park, Calif.

Numerical modeling of chemical spills and assessment of their environmental impacts

USDA-ARS?s Scientific Manuscript database

Chemical spills in surface water bodies often occur in modern societies, which cause significant impacts on water quality, eco-environment and drinking water safety. In this paper, chemical spill contamination in water resources was studied using a depth-integrated computational model, CCHE2D, for p...

Effective use of integrated hydrological models in basin-scale water resources management: surrogate modeling approaches

NASA Astrophysics Data System (ADS)

Zheng, Y.; Wu, B.; Wu, X.

2015-12-01

Integrated hydrological models (IHMs) consider surface water and subsurface water as a unified system, and have been widely adopted in basin-scale water resources studies. However, due to IHMs' mathematical complexity and high computational cost, it is difficult to implement them in an iterative model evaluation process (e.g., Monte Carlo Simulation, simulation-optimization analysis, etc.), which diminishes their applicability for supporting decision-making in real-world situations. Our studies investigated how to effectively use complex IHMs to address real-world water issues via surrogate modeling. Three surrogate modeling approaches were considered, including 1) DYCORS (DYnamic COordinate search using Response Surface models), a well-established response surface-based optimization algorithm; 2) SOIM (Surrogate-based Optimization for Integrated surface water-groundwater Modeling), a response surface-based optimization algorithm that we developed specifically for IHMs; and 3) Probabilistic Collocation Method (PCM), a stochastic response surface approach. Our investigation was based on a modeling case study in the Heihe River Basin (HRB), China's second largest endorheic river basin. The GSFLOW (Coupled Ground-Water and Surface-Water Flow Model) model was employed. Two decision problems were discussed. One is to optimize, both in time and in space, the conjunctive use of surface water and groundwater for agricultural irrigation in the middle HRB region; and the other is to cost-effectively collect hydrological data based on a data-worth evaluation. Overall, our study results highlight the value of incorporating an IHM in making decisions of water resources management and hydrological data collection. An IHM like GSFLOW can provide great flexibility to formulating proper objective functions and constraints for various optimization problems. On the other hand, it has been demonstrated that surrogate modeling approaches can pave the path for such incorporation in real-world situations, since they can dramatically reduce the computational cost of using IHMs in an iterative model evaluation process. In addition, our studies generated insights into the human-nature water conflicts in the specific study area and suggested potential solutions to address them.

Towards Large-area Field-scale Operational Evapotranspiration for Water Use Mapping

NASA Astrophysics Data System (ADS)

Senay, G. B.; Friedrichs, M.; Morton, C.; Huntington, J. L.; Verdin, J.

2017-12-01

Field-scale evapotranspiration (ET) estimates are needed for improving surface and groundwater use and water budget studies. Ideally, field-scale ET estimates would be at regional to national levels and cover long time periods. As a result of large data storage and computational requirements associated with processing field-scale satellite imagery such as Landsat, numerous challenges remain to develop operational ET estimates over large areas for detailed water use and availability studies. However, the combination of new science, data availability, and cloud computing technology is enabling unprecedented capabilities for ET mapping. To demonstrate this capability, we used Google's Earth Engine cloud computing platform to create nationwide annual ET estimates with 30-meter resolution Landsat ( 16,000 images) and gridded weather data using the Operational Simplified Surface Energy Balance (SSEBop) model in support of the National Water Census, a USGS research program designed to build decision support capacity for water management agencies and other natural resource managers. By leveraging Google's Earth Engine Application Programming Interface (API) and developing software in a collaborative, open-platform environment, we rapidly advance from research towards applications for large-area field-scale ET mapping. Cloud computing of the Landsat image archive combined with other satellite, climate, and weather data, is creating never imagined opportunities for assessing ET model behavior and uncertainty, and ultimately providing the ability for more robust operational monitoring and assessment of water use at field-scales.

Flood boundaries and water-surface profile for the computed 100-year flood, Swift Creek at Afton, Wyoming, 1986

USGS Publications Warehouse

Rankl, James G.; Wallace, Joe C.

1989-01-01

Flood flows on Swift Creek near Afton, Wyoming, were analyzed. Peak discharge with an average recurrence interval of 100 years was computed and used to determine the flood boundaries and water surface profile in the study reach. The study was done in cooperation with Lincoln County and the Town of Afton to determine the extent of flooding in the Town of Afton from a 100-year flood on Swift Creek. The reach of Swift Creek considered in the analysis extends upstream from the culvert at Allred County Road No. 12-135 to the US Geological Survey streamflow-gaging station located in the Bridger National Forest , a distance of 3.2 miles. Boundaries of the 100-year flood are delineated on a map using the computed elevation of the flood at each cross section, survey data, and a 1983 aerial photograph. The computed water surface elevation for the 100-year flood was plotted at each cross section, then the lateral extent of the flood was transferred to the flood map. Boundaries between cross sections were sketched using information taken from the aerial photograph. Areas that are inundated, but not part of the active flow, are designated on the cross sections. (Lantz-PTT)

Water adsorption on surface-modified cellulose nanocrystals

NASA Astrophysics Data System (ADS)

Wei, Zonghui; Sinko, Robert; Keten, Sinan; Luijten, Erik

Cellulose nanocrystals (CNCs) have attracted much attention as a filler phase for polymer nanocomposites due to their impressive mechanical properties, low cost, and environmental sustainability. Despite their promise for this application, there are still numerous obstacles that prevent optimal performance of CNC-polymer nanocomposites, such as poor filler dispersion and high levels of water absorption. One way to mitigate these negative effects is to modify CNC surfaces. Computational approaches can be utilized to obtain direct insight into the properties of modified CNC surfaces and probe the interactions of CNCs with other materials to facilitate the experimental design of nanocomposites. We use atomistic grand-canonical Monte Carlo simulations to study how surface modification of ion-exchanged sulfated cellulose nanocrystals (Na-CNCs) impacts water adsorption. We find that methyl(triphenyl)phosphonium-exchanged CNCs adsorb less water than Na-CNCs at the same relative humidity, supporting recent experimental dynamic vapor sorption measurements. By characterizing the distribution and configuration of water molecules near the modified CNC surfaces we determine how surface modifications disrupt CNC-water interactions.

Chattahoochee River Water Quality Analysis.

DTIC Science & Technology

1978-04-01

in 1972 with WRE for addition of storm water quality computations. Since then the HEC has added other capabilities including snowmelt and land surface...Geological Survey. The storm water quality data were reported in reference 2. Quantity The quantity calibration involved adjusting the pervious area

Computer-Generated Phase Diagrams for Binary Mixtures.

ERIC Educational Resources Information Center

Jolls, Kenneth R.; And Others

1983-01-01

Computer programs that generate projections of thermodynamic phase surfaces through computer graphics were used to produce diagrams representing properties of water and steam and the pressure-volume-temperature behavior of most of the common equations of state. The program, program options emphasizing thermodynamic features of interest, and…

CFD Model of Water Droplet Transport for ISS Hygiene Activity

NASA Technical Reports Server (NTRS)

Son, Chang H.

2011-01-01

The goal of the study is to assess the impacts of free water propagation in the Waste and Hygiene Compartment (WHC). Free water can be generated inside the WHC in small quantities due to crew hygiene activity. To mitigate potential impact of free water in Node 3 cabin the WHC doorway is enclosed by a waterproof bump-out, Kabin, with openings at the top and bottom. At the overhead side of the rack, there is a screen that prevents large drops of water from exiting. However, as the avionics fan in the WHC causes airflow toward the deck side of the rack, small quantities of free water may exit at the bottom of the Kabin. A Computational Fluid Dynamics (CFD) analysis of Node 3 cabin airflow made possible to identify the paths of water transport. The Node 3 airflow was computed for several ventilation scenarios. To simulate the droplet transport the Lagrangian discrete phase approach was used. Various initial droplet distributions were considered in the study. The droplet diameter was varied in the range of 2-20 mm. The results of the computations showed that most of the drops fall to the rack surface not far from the WHC curtain. The probability of the droplet transport to the adjacent rack surface with electronic equipment was predicted.

Experimental Investigation of 2D thermal signature and 3D X-Ray Computed Tomography in contrasting Wettable and Water-Repellent Beads

NASA Astrophysics Data System (ADS)

Alsih, Abdulkareem; Flavel, Richard; McGrath, Gavan

2017-04-01

This study presents experimental results investigating spatial patterns of infiltration and evaporation in heterogeneous water repellent media. Infrared camera measurements and 3D X-ray computed tomography imaging was performed across wet-dry cycles on glass beads with engineered patches of water repellence. The imaging revealed spatial variability in infiltration and the redistribution of water in the media resulting in differences in relative evaporation rates during drying. It appears that the spatial organization of the heterogeneity play a role in the breakdown of water repellence at the interface of the two media. This suggests a potential mechanism for self-organization of repellency spatial patterns in field soils. At the interface between wettable and water repellent beads a lateral drying front propagates towards the wettable beads from the repellent beads. During this drying the relative surface temperatures change from a relatively cooler repellent media surface to a relatively cooler wettable media surface indicating the changes in evaporative water loss between the beads of varying water repellence. The lateral drying front was confirmed using thermography in a small-scale model of glass beads with chemically induced repellence and then subjected to 3D X-ray imaging. Pore-scale imaging identified the hydrology at the interface of the two media and at the drying front giving insights into the physics of water flow in water repellent soil.

Molecular dynamics simulations of the surface tension of oxygen-supersaturated water

NASA Astrophysics Data System (ADS)

Jain, S.; Qiao, L.

2017-04-01

In this work, non-reactive molecular dynamic simulations were conducted to determine the surface tension of water as a function of the concentration of the dissolved gaseous molecules (O2), which would in turn help to predict the pressure inside the nanobubbles under supersaturation conditions. Knowing the bubble pressure is a prerequisite for understanding the mechanisms behind the spontaneous combustion of the H2/O2 gases inside the nanobubbles. First, the surface tension of pure water was determined using the planar interface method and the Irving and Kirkwood formula. Next, the surface tension of water containing four different supersaturation concentrations (S) of O2 gas molecules was computed considering the curved interface of a nanobubble. The surface tension of water was found to decrease with an increase in the supersaturation ratio or the concentration of the dissolved O2 gas molecules.

40 CFR 721.91 - Computation of estimated surface water concentrations: Instructions.

Code of Federal Regulations, 2010 CFR

2010-07-01

... shall be computed for each site using the stream flow rate appropriate for the site according to... computing the equation, the number of kilograms released, and receiving stream flow. (a) Number of kilograms... chemical changes and/or changes in location, temperature, pressure, physical state, or similar...

40 CFR 721.91 - Computation of estimated surface water concentrations: Instructions.

Code of Federal Regulations, 2014 CFR

2014-07-01

... shall be computed for each site using the stream flow rate appropriate for the site according to... computing the equation, the number of kilograms released, and receiving stream flow. (a) Number of kilograms... diagram which describes each manufacturing, processing, or use operation involving the substance. The...

40 CFR 721.91 - Computation of estimated surface water concentrations: Instructions.

Code of Federal Regulations, 2011 CFR

2011-07-01

... shall be computed for each site using the stream flow rate appropriate for the site according to... computing the equation, the number of kilograms released, and receiving stream flow. (a) Number of kilograms... diagram which describes each manufacturing, processing, or use operation involving the substance. The...

Plans for a sensitivity analysis of bridge-scour computations

USGS Publications Warehouse

Dunn, David D.; Smith, Peter N.

1993-01-01

Plans for an analysis of the sensitivity of Level 2 bridge-scour computations are described. Cross-section data from 15 bridge sites in Texas are modified to reflect four levels of field effort ranging from no field surveys to complete surveys. Data from United States Geological Survey (USGS) topographic maps will be used to supplement incomplete field surveys. The cross sections are used to compute the water-surface profile through each bridge for several T-year recurrence-interval design discharges. The effect of determining the downstream energy grade-line slope from topographic maps is investigated by systematically varying the starting slope of each profile. The water-surface profile analyses are then used to compute potential scour resulting from each of the design discharges. The planned results will be presented in the form of exceedance-probability versus scour-depth plots with the maximum and minimum scour depths at each T-year discharge presented as error bars.

The Ocean`s Thermohaline Circulation in a Fish Tank

NASA Astrophysics Data System (ADS)

Lavender, K.; Joyce, P.; Graziano, L.; Harris, S.; Jaroslow, G.; Lea, C.; Schell, J.; Witting, J.

2005-12-01

This demonstration develops intuition about density stratification, a concept critical to understanding the ocean`s thermohaline circulation. In addition, students learn how temperature and salinity affect density, how these characteristics may be density-compensating, and students gain practice in graphing and interpreting vertical profiles and temperature-salinity (T-S) diagrams. The demonstration requires a rectangular fish tank (5-10 gallons) with a plexiglass partition, preparation of three colored ''water masses'' representing surface water (warm and fresh), ''mystery'' Mediterranean Water (warm and salty), and North Atlantic Deep Water (NADW; cold and salty), a kitchen sponge, and a temperature and salinity probe. Density may be computed using an Equation of State calculator (e.g. online version at http://fermi.jhuapl.edu/denscalc.html). The larger side of the fish tank is filled halfway with NADW, then surface water is layered on top by carefully pouring it on a floating sponge. A student volunteer measures the temperature and salinity of the two water masses, while another computes the densities. Students draw vertical profiles and T-S diagrams representing the temperature, salinity, and density of the water column. The properties of the ''mystery'' water are measured and students predict what will happen when the water is poured on the opposite side of the partition and is allowed to overflow into the layered water. If the density gradients are sufficiently large, a beautiful internal wave develops as the mystery water overflows the sill and becomes intermediate Mediterranean Water. If time permits, having a student blow on the surface illustrates the limited influence of ''wind'' with depth; an internal wave may by forced by depressing the thermocline with a large, flat spoon; and pouring extra NADW on the sponge floating at the surface may illustrate deep convection.

Terrestrial water storage variations and surface vertical deformation derived from GPS and GRACE observations in Nepal and Himalayas

NASA Astrophysics Data System (ADS)

Pan, Y.; Shen, W.; Hwang, C.

2015-12-01

As an elastic Earth, the surface vertical deformation is in response to hydrological mass change on or near Earth's surface. The continuous GPS (CGPS) records show surface vertical deformations which are significant information to estimate the variation of terrestrial water storage. We compute the loading deformations at GPS stations based on synthetic models of seasonal water load distribution and then invert the synthetic GPS data for surface mass distribution. We use GRACE gravity observations and hydrology models to evaluate seasonal water storage variability in Nepal and Himalayas. The coherence among GPS inversion results, GRACE and hydrology models indicate that GPS can provide quantitative estimates of terrestrial water storage variations by inverting the surface deformation observations. The annual peak-to-peak surface mass change derived from GPS and GRACE results reveal seasonal loads oscillations of water, snow and ice. Meanwhile, the present uplifting of Nepal and Himalayas indicates the hydrology mass loss. This study is supported by National 973 Project China (grant Nos. 2013CB733302 and 2013CB733305), NSFC (grant Nos. 41174011, 41429401, 41210006, 41128003, 41021061).

Mars surface-based factory: Computer control of a water treatment system to support a space colony on Mars

NASA Technical Reports Server (NTRS)

Brice, R.; Mosley, J.; Willis, D.; Coleman, K.; Martin, C.; Shelby, L.; Kelley, U.; Renfro, E.; Griffith, G.; Warsame, A.

1989-01-01

In a continued effort to design a surface-based factory on Mars for the production of oxygen and water, the Design Group at Prairie View A&M University made a preliminary study of the surface and atmospheric composition on Mars and determined the mass densities of the various gases in the martian atmosphere. Based on the initial studies, the design group determined oxygen and water to be the two products that could be produced economically under the martian conditions. Studies were also made on present production techniques to obtain water and oxygen. Analyses were made to evaluate the current methods of production that were adaptable to the martian conditions. The detailed report was contained in an Interim Report submitted to NASA/USRA in Aug. of 1986. Even though the initial effort was the production of oxygen and water, we found it necessary to produce some diluted gases that can be mixed with oxygen to constitute 'breathable' air. In Phase 2--Task 1A, the Prairie View A&M University team completed the conceptual design of a breathable-air manufacturing system, a means of drilling for underground water, and storage of water for future use. The design objective of the team for the 1987-1988 academic year was the conceptual design of an integrated system for the supply of quality water for biological consumption, farming, and residential and industrial use. The design has also been completed. Phase 2--Task 1C is the present task for the Prairie View Design Team. This is a continuation of the previous task, and the continuation of this effort is the investigation into the extraction of water from beneath the surface and an alternative method of extraction from ice formations on the surface of Mars if accessible. In addition to investigation of water extraction, a system for computer control of extraction and treatment was developed with emphasis on fully automated control with robotic repair and maintenance. It is expected that oxygen- and water-producing plants on Mars will be limited in the amount of human control that will be available to operate large and/or isolated plants. Therefore, it is imperative that computers be integrated into plant operation with the capability to maintain life support systems and analyze and replace defective parts or systems with no human interface.

Controllability of Surface Water Networks

NASA Astrophysics Data System (ADS)

Riasi, M. Sadegh; Yeghiazarian, Lilit

2017-12-01

To sustainably manage water resources, we must understand how to control complex networked systems. In this paper, we study surface water networks from the perspective of structural controllability, a concept that integrates classical control theory with graph-theoretic formalism. We present structural controllability theory and compute four metrics: full and target controllability, control centrality and control profile (FTCP) that collectively determine the structural boundaries of the system's control space. We use these metrics to answer the following questions: How does the structure of a surface water network affect its controllability? How to efficiently control a preselected subset of the network? Which nodes have the highest control power? What types of topological structures dominate controllability? Finally, we demonstrate the structural controllability theory in the analysis of a wide range of surface water networks, such as tributary, deltaic, and braided river systems.

Dynamically balanced absolute sea level of the global ocean derived from near-surface velocity observations

NASA Astrophysics Data System (ADS)

Niiler, Pearn P.; Maximenko, Nikolai A.; McWilliams, James C.

2003-11-01

The 1992-2002 time-mean absolute sea level distribution of the global ocean is computed for the first time from observations of near-surface velocity. For this computation, we use the near-surface horizontal momentum balance. The velocity observed by drifters is used to compute the Coriolis force and the force due to acceleration of water parcels. The anomaly of horizontal pressure gradient is derived from satellite altimetry and corrects the temporal bias in drifter data distribution. NCEP reanalysis winds are used to compute the force due to Ekman currents. The mean sea level gradient force, which closes the momentum balance, is integrated for mean sea level. We find that our computation agrees, within uncertainties, with the sea level computed from the geostrophic, hydrostatic momentum balance using historical mean density, except in the Antarctic Circumpolar Current. A consistent horizontally and vertically dynamically balanced, near-surface, global pressure field has now been derived from observations.

Simulated hydrologic effects of possible ground-water and surface-water management alternatives in and near the Platte River, south-central Nebraska

USGS Publications Warehouse

Burns, Alan W.

1981-01-01

Digital computer models were developed and used to simulate the hydrologic effects of hypothetical water-management alternatives on the wetland habitat area near Grand Island, Nebr. Areally distributed recharge to and discharge from the aquifer system adjacent to the Platte River between Overton and Grand Island were computed for four hypothetical water-management alternatives. Using stream-aquifer response functions, the stream depletions resulting from the different alternatives ranged from 53,000 acre-feet per year for increased surface-water irrigation to 177,000 acre-feet per year for increased ground-water pumpage. Current conditions would result in stream depletions of 125,000 acre-feet per year. Using the relationship between discharge and river stage, frequency curves of the stage in the river near the wildlife habitat area were computed using a 50-year sequence of historical streamflow at Overton, minus the stream depletions resulting from various management practices. For the management alternatives previously discussed, differences in the stage-frequency curves were minimal. For comparative purposes, three additional water-management alternatives whose application would change the incoming streamflow at Overton were simulated. Although in these alternatives the amounts of water that were diverted or imported were similar to the amounts in the previous alternatives, their effects on the stage-frequency curves were much more dramatic. (USGS)

Computational Modeling Approaches to Multiscale Design of Icephobic Surfaces

NASA Technical Reports Server (NTRS)

Tallman, Aaron; Wang, Yan; Vargas, Mario

2017-01-01

To aid in the design of surfaces that prevent icing, a model and computational simulation of impact ice formation at the single droplet scale was implemented. The nucleation of a single supercooled droplet impacting on a substrate, in rime ice conditions, was simulated. Open source computational fluid dynamics (CFD) software was used for the simulation. To aid in the design of surfaces that prevent icing, a model of impact ice formation at the single droplet scale was proposed•No existing model simulates simultaneous impact and freezing of a single super-cooled water droplet•For the 10-week project, a low-fidelity feasibility study was the goal.

Numerical Simulation of the Effects of Water Surface in Building Environment

NASA Astrophysics Data System (ADS)

Li, Guangyao; Pan, Yuqing; Yang, Li

2018-03-01

Water body could affect the thermal environment and airflow field in the building districts, because of its special thermal characteristics, evaporation and flat surface. The thermal influence of water body in Tongji University Jiading Campus front area was evaluated. First, a suitable evaporation model was selected and then was applied to calculate the boundary conditions of the water surface in the Fluent software. Next, the computational fluid dynamics (CFD) simulations were conducted on the models both with and without water, following the CFD practices guidelines. Finally, the outputs of the two simulations were compared with each other. Results showed that the effect of evaporative cooling from water surface strongly depends on the wind direction and temperature decrease was about 2∼5°C. The relative humidity within the enclosing area was affected by both the building arrangement and surrounding water. An increase of about 0.1∼0.2m/s of wind speed induced by the water evaporation was observed in the open space.

Noncontact methods for measuring water-surface elevations and velocities in rivers: Implications for depth and discharge extraction

USGS Publications Warehouse

Nelson, Jonathan M.; Kinzel, Paul J.; McDonald, Richard R.; Schmeeckle, Mark

2016-01-01

Recently developed optical and videographic methods for measuring water-surface properties in a noninvasive manner hold great promise for extracting river hydraulic and bathymetric information. This paper describes such a technique, concentrating on the method of infrared videog- raphy for measuring surface velocities and both acoustic (laboratory-based) and laser-scanning (field-based) techniques for measuring water-surface elevations. In ideal laboratory situations with simple flows, appropriate spatial and temporal averaging results in accurate water-surface elevations and water-surface velocities. In test cases, this accuracy is sufficient to allow direct inversion of the governing equations of motion to produce estimates of depth and discharge. Unlike other optical techniques for determining local depth that rely on transmissivity of the water column (bathymetric lidar, multi/hyperspectral correlation), this method uses only water-surface information, so even deep and/or turbid flows can be investigated. However, significant errors arise in areas of nonhydrostatic spatial accelerations, such as those associated with flow over bedforms or other relatively steep obstacles. Using laboratory measurements for test cases, the cause of these errors is examined and both a simple semi-empirical method and computational results are presented that can potentially reduce bathymetric inversion errors.

Water adsorption on the P-rich GaP(100) surface: optical spectroscopy from first principles

NASA Astrophysics Data System (ADS)

May, Matthias M.; Sprik, Michiel

2018-03-01

The contact of water with semiconductors typically changes its surface electronic structure by oxidation or corrosion processes. A detailed knowledge—or even control of—the surface structure is highly desirable, as it impacts the performance of opto-electronic devices from gas-sensing to energy conversion applications. It is also a prerequisite for density functional theory-based modelling of the electronic structure in contact with an electrolyte. The P-rich GaP(100) surface is extraordinary with respect to its contact with gas-phase water, as it undergoes a surface reordering, but does not oxidise. We investigate the underlying changes of the surface in contact with water by means of theoretically derived reflection anisotropy spectroscopy (RAS). A comparison of our results with experiment reveals that a water-induced hydrogen-rich phase on the surface is compatible with the boundary conditions from experiment, reproducing the optical spectra. We discuss potential reaction paths that comprise a water-enhanced hydrogen mobility on the surface. Our results also show that computational RAS—required for the interpretation of experimental signatures—is feasible for GaP in contact with water double layers. Here, RAS is sensitive to surface electric fields, which are an important ingredient of the Helmholtz-layer. This paves the way for future investigations of RAS at the semiconductor–electrolyte interface.

DAM package version 7807: Software fixes and enhancements

NASA Technical Reports Server (NTRS)

Schlosser, E.

1979-01-01

The Detection and Mapping package is an integrated set of manual procedures, computer programs, and graphic devices designed for efficient production of precisely registered, formatted, and interpreted maps from digital LANDSAT multispectral scanner data. This report documents changes to the DAM package in support of its use by the Corps of Engineers for inventorying impounded surface water. Although these changes are presented in terms of their application to detecting and mapping surface water, they are equally relevant to other land surface materials.

Assimilation of Surface Temperature in Land Surface Models

NASA Technical Reports Server (NTRS)

Lakshmi, Venkataraman

1998-01-01

Hydrological models have been calibrated and validated using catchment streamflows. However, using a point measurement does not guarantee correct spatial distribution of model computed heat fluxes, soil moisture and surface temperatures. With the advent of satellites in the late 70s, surface temperature is being measured two to four times a day from various satellite sensors and different platforms. The purpose of this paper is to demonstrate use of satellite surface temperature in (a) validation of model computed surface temperatures and (b) assimilation of satellite surface temperatures into a hydrological model in order to improve the prediction accuracy of soil moistures and heat fluxes. The assimilation is carried out by comparing the satellite and the model produced surface temperatures and setting the "true"temperature midway between the two values. Based on this "true" surface temperature, the physical relationships of water and energy balance are used to reset the other variables. This is a case of nudging the water and energy balance variables so that they are consistent with each other and the true" surface temperature. The potential of this assimilation scheme is demonstrated in the form of various experiments that highlight the various aspects. This study is carried over the Red-Arkansas basin in the southern United States (a 5 deg X 10 deg area) over a time period of a year (August 1987 - July 1988). The land surface hydrological model is run on an hourly time step. The results show that satellite surface temperature assimilation improves the accuracy of the computed surface soil moisture remarkably.

A Computational Approach for Probabilistic Analysis of LS-DYNA Water Impact Simulations

NASA Technical Reports Server (NTRS)

Horta, Lucas G.; Mason, Brian H.; Lyle, Karen H.

2010-01-01

NASA s development of new concepts for the Crew Exploration Vehicle Orion presents many similar challenges to those worked in the sixties during the Apollo program. However, with improved modeling capabilities, new challenges arise. For example, the use of the commercial code LS-DYNA, although widely used and accepted in the technical community, often involves high-dimensional, time consuming, and computationally intensive simulations. Because of the computational cost, these tools are often used to evaluate specific conditions and rarely used for statistical analysis. The challenge is to capture what is learned from a limited number of LS-DYNA simulations to develop models that allow users to conduct interpolation of solutions at a fraction of the computational time. For this problem, response surface models are used to predict the system time responses to a water landing as a function of capsule speed, direction, attitude, water speed, and water direction. Furthermore, these models can also be used to ascertain the adequacy of the design in terms of probability measures. This paper presents a description of the LS-DYNA model, a brief summary of the response surface techniques, the analysis of variance approach used in the sensitivity studies, equations used to estimate impact parameters, results showing conditions that might cause injuries, and concluding remarks.

Robust Representation of Integrated Surface-subsurface Hydrology at Watershed Scales

NASA Astrophysics Data System (ADS)

Painter, S. L.; Tang, G.; Collier, N.; Jan, A.; Karra, S.

2015-12-01

A representation of integrated surface-subsurface hydrology is the central component to process-rich watershed models that are emerging as alternatives to traditional reduced complexity models. These physically based systems are important for assessing potential impacts of climate change and human activities on groundwater-dependent ecosystems and water supply and quality. Integrated surface-subsurface models typically couple three-dimensional solutions for variably saturated flow in the subsurface with the kinematic- or diffusion-wave equation for surface flows. The computational scheme for coupling the surface and subsurface systems is key to the robustness, computational performance, and ease-of-implementation of the integrated system. A new, robust approach for coupling the subsurface and surface systems is developed from the assumption that the vertical gradient in head is negligible at the surface. This tight-coupling assumption allows the surface flow system to be incorporated directly into the subsurface system; effects of surface flow and surface water accumulation are represented as modifications to the subsurface flow and accumulation terms but are not triggered until the subsurface pressure reaches a threshold value corresponding to the appearance of water on the surface. The new approach has been implemented in the highly parallel PFLOTRAN (www.pflotran.org) code. Several synthetic examples and three-dimensional examples from the Walker Branch Watershed in Oak Ridge TN demonstrate the utility and robustness of the new approach using unstructured computational meshes. Representation of solute transport in the new approach is also discussed. Notice: This manuscript has been authored by UT-Battelle, LLC, under Contract No. DE-AC0500OR22725 with the U.S. Department of Energy. The United States Government retains and the publisher, by accepting the article for publication, acknowledges that the United States Government retains a non-exclusive, paid-up, irrevocable, world-wide license to publish or reproduce the published form of this manuscript, or allow others to do so, for the United States Government purposes.

Simulated effects of groundwater pumping and artificial recharge on surface-water resources and riparian vegetation in the Verde Valley sub-basin, Central Arizona

USGS Publications Warehouse

Leake, Stanley A.; Pool, Donald R.

2010-01-01

In the Verde Valley sub-basin, groundwater use has increased in recent decades. Residents and stakeholders in the area have established several groups to help in planning for sustainability of water and other resources of the area. One of the issues of concern is the effect of groundwater pumping in the sub-basin on surface water and on groundwater-dependent riparian vegetation. The Northern Arizona Regional Groundwater-Flow Model by Pool and others (in press) is the most comprehensive and up-to-date tool available to understand the effects of groundwater pumping in the sub-basin. Using a procedure by Leake and others (2008), this model was modified and used to calculate effects of groundwater pumping on surface-water flow and evapotranspiration for areas in the sub-basin. This report presents results for the upper two model layers for pumping durations of 10 and 50 years. Results are in the form of maps that indicate the fraction of the well pumping rate that can be accounted for as the combined effect of reduced surface-water flow and evapotranspiration. In general, the highest and most rapid responses to pumping were computed to occur near surface-water features simulated in the modified model, but results are not uniform along these features. The results are intended to indicate general patterns of model-computed response over large areas. For site-specific projects, improved results may require detailed studies of the local hydrologic conditions and a refinement of the modified model in the area of interest.

Evaluation of Ten Methods for Initializing a Land Surface Model

NASA Technical Reports Server (NTRS)

Rodell, M.; Houser, P. R.; Berg, A. A.; Famiglietti, J. S.

2005-01-01

Land surface models (LSMs) are computer programs, similar to weather and climate prediction models, which simulate the stocks and fluxes of water (including soil moisture, snow, evaporation, and runoff) and energy (including the temperature of and sensible heat released from the soil) after they arrive on the land surface as precipitation and sunlight. It is not currently possible to measure all of the variables of interest everywhere on Earth with sufficient accuracy and space-time resolution. Hence LSMs have been developed to integrate the available observations with our understanding of the physical processes involved, using powerful computers, in order to map these stocks and fluxes as they change in time. The maps are used to improve weather forecasts, support water resources and agricultural applications, and study the Earth"s water cycle and climate variability. NASA"s Global Land Data Assimilation System (GLDAS) project facilitates testing of several different LSMs with a variety of input datasets (e.g., precipitation, plant type).

Measurement and computation of hydrodynamic coupling at an air/water interface with an insoluble monolayer

NASA Astrophysics Data System (ADS)

Hirsa, Amir H.; Lopez, Juan M.; Miraghaie, Reza

2001-09-01

The coupling between a bulk vortical flow and a surfactant-influenced air/water interface has been examined in a canonical flow geometry through experiments and computations. The flow in an annular region bounded by stationary inner and outer cylinders is driven by the constant rotation of the floor and the free surface is initially covered by a uniformly distributed insoluble monolayer. When driven slowly, this geometry is referred to as the deep-channel surface viscometer and the flow is essentially azimuthal. The only interfacial property that affects the flow in this regime is the surface shear viscosity, [mu]s, which is uniform on the surface due to the vanishingly small concentration gradient. However, when operated at higher Reynolds number, secondary flow drives the surfactant film towards the inner cylinder until the Marangoni stress balances the shear stress on the bulk fluid. In general, the flow can be influenced by the surface tension, [sigma], and the surface dilatational viscosity, [kappa]s, as well as [mu]s. However, because of the small capillary number of the present flow, the effects of surface tension gradients dominate the surface viscosities in the radial stress balance, and the effect of [mu]s can only come through the azimuthal stress. Vitamin K1 was chosen for this study since it forms a well-behaved insoluble monolayer on water and [mu]s is essentially zero in the range of concentration on the surface, c, encountered. Thus the effect of Marangoni elasticity on the interfacial stress could be isolated. The flow near the interface was measured in an optical channel using digital particle image velocimetry. Steady axisymmetric flow was observed at the nominal Reynolds number of 8500. A numerical model has been developed using the axisymmetric Navier Stokes equations to examine the details of the coupling between the bulk and the interface. The nonlinear equation of state, [sigma](c), for the vitamin K1 monolayer was measured and utilized in the computations. Agreement was demonstrated between the measurements and computations, but the flow is critically dependent on the nonlinear equation of state.

An efficient and guaranteed stable numerical method for continuous modeling of infiltration and redistribution with a shallow dynamic water table

NASA Astrophysics Data System (ADS)

Lai, Wencong; Ogden, Fred L.; Steinke, Robert C.; Talbot, Cary A.

2015-03-01

We have developed a one-dimensional numerical method to simulate infiltration and redistribution in the presence of a shallow dynamic water table. This method builds upon the Green-Ampt infiltration with Redistribution (GAR) model and incorporates features from the Talbot-Ogden (T-O) infiltration and redistribution method in a discretized moisture content domain. The redistribution scheme is more physically meaningful than the capillary weighted redistribution scheme in the T-O method. Groundwater dynamics are considered in this new method instead of hydrostatic groundwater front. It is also computationally more efficient than the T-O method. Motion of water in the vadose zone due to infiltration, redistribution, and interactions with capillary groundwater are described by ordinary differential equations. Numerical solutions to these equations are computationally less expensive than solutions of the highly nonlinear Richards' (1931) partial differential equation. We present results from numerical tests on 11 soil types using multiple rain pulses with different boundary conditions, with and without a shallow water table and compare against the numerical solution of Richards' equation (RE). Results from the new method are in satisfactory agreement with RE solutions in term of ponding time, deponding time, infiltration rate, and cumulative infiltrated depth. The new method, which we call "GARTO" can be used as an alternative to the RE for 1-D coupled surface and groundwater models in general situations with homogeneous soils with dynamic water table. The GARTO method represents a significant advance in simulating groundwater surface water interactions because it very closely matches the RE solution while being computationally efficient, with guaranteed mass conservation, and no stability limitations that can affect RE solvers in the case of a near-surface water table.

Numerical analysis of heat and mass transfer for water recovery in an evaporative cooling tower

NASA Astrophysics Data System (ADS)

Lee, Hyunsub; Son, Gihun

2017-11-01

Numerical analysis is performed for water recovery in an evaporative cooling tower using a condensing heat exchanger, which consists of a humid air channel and an ambient dry air channel. The humid air including water vapor produced in an evaporative cooling tower is cooled by the ambient dry air so that the water vapor is condensed and recovered to the liquid water. The conservation equations of mass, momentum, energy and vapor concentration in each fluid region and the energy equation in a solid region are simultaneously solved with the heat and mass transfer boundary conditions coupled to the effect of condensation on the channel surface of humid air. The present computation demonstrates the condensed water film distribution on the humid air channel, which is caused by the vapor mass transfer between the humid air and the colder water film surface, which is coupled to the indirect heat exchange with the ambient air. Computations are carried out to predict water recovery rate in parallel, counter and cross-flow type heat exchangers. The effects of air flow rate and channel interval on the water recovery rate are quantified.

Method Evaluations for Adsorption Free Energy Calculations at the Solid/Water Interface through Metadynamics, Umbrella Sampling, and Jarzynski's Equality.

PubMed

Wei, Qichao; Zhao, Weilong; Yang, Yang; Cui, Beiliang; Xu, Zhijun; Yang, Xiaoning

2018-03-19

Considerable interest in characterizing protein/peptide-surface interactions has prompted extensive computational studies on calculations of adsorption free energy. However, in many cases, each individual study has focused on the application of free energy calculations to a specific system; therefore, it is difficult to combine the results into a general picture for choosing an appropriate strategy for the system of interest. Herein, three well-established computational algorithms are systemically compared and evaluated to compute the adsorption free energy of small molecules on two representative surfaces. The results clearly demonstrate that the characteristics of studied interfacial systems have crucial effects on the accuracy and efficiency of the adsorption free energy calculations. For the hydrophobic surface, steered molecular dynamics exhibits the highest efficiency, which appears to be a favorable method of choice for enhanced sampling simulations. However, for the charged surface, only the umbrella sampling method has the ability to accurately explore the adsorption free energy surface. The affinity of the water layer to the surface significantly affects the performance of free energy calculation methods, especially at the region close to the surface. Therefore, a general principle of how to discriminate between methodological and sampling issues based on the interfacial characteristics of the system under investigation is proposed. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Earth-atmosphere system and surface reflectivities in arid regions from LANDSAT multispectral scanner measurements

NASA Technical Reports Server (NTRS)

Otterman, J.; Fraser, R. S.

1976-01-01

Programs for computing atmospheric transmission and scattering solar radiation were used to compute the ratios of the Earth-atmosphere system (space) directional reflectivities in the vertical direction to the surface reflectivity, for the four bands of the LANDSAT multispectral scanner (MSS). These ratios are presented as graphs for two water vapor levels, as a function of the surface reflectivity, for various sun elevation angles. Space directional reflectivities in the vertical direction are reported for selected arid regions in Asia, Africa and Central America from the spectral radiance levels measured by the LANDSAT MSS. From these space reflectivities, surface vertical reflectivities were computed applying the pertinent graphs. These surface reflectivities were used to estimate the surface albedo for the entire solar spectrum. The estimated albedos are in the range 0.34-0.52, higher than the values reported by most previous researchers from space measurements, but are consistent with laboratory measurements.

Molecular dynamics simulation of water at mineral surfaces: Structure, dynamics, energetics and hydrogen bonding

NASA Astrophysics Data System (ADS)

Kalinichev, A. G.; Wang, J.; Kirkpatrick, R.

2006-05-01

Fundamental molecular-level understanding of the properties of aqueous mineral interfaces is of great importance for many geochemical and environmental systems. Interaction between water and mineral surfaces substantially affects the properties of both phases, including the reactivity and functionality of the substrate surface, and the structure, dynamics, and energetics of the near surface aqueous phase. Experimental studies of interfacial water structure and dynamics using surface-sensitive techniques such as sum-frequency vibrational spectroscopy or X-ray and neutron reflectivity are not always possible for many practically important substrates, and their results often require interpretation concerning the atomistic mechanisms responsible for the observed behavior. Molecular computer simulations can provide new insight into the underlying molecular- level relationships between the inorganic substrate structure and composition and the structure, ordering, and dynamics of interfacial water. We have performed a series of molecular dynamics (MD) computer simulations of aqueous interfaces with several silicates (quartz, muscovite, and talc) and hydroxides (brucite, portlandite, gibbsite, Ca/Al and Mg/Al double hydroxides) to quantify the effects of the substrate mineral structure and composition on the structural, transport, and thermodynamic properties of water on these mineral surfaces. Due to the prevalent effects of the development of well-interconnected H-bonding networks across the mineral- water interfaces, all the hydroxide surfaces (including a fully hydroxylated quartz surface) show very similar H2O density profiles perpendicular to the interface. However, the predominant orientations of the interfacial H2O molecules and their detailed 2-dimensional near-surface structure and dynamics parallel to the interface are quite different reflecting the differences in the substrate structural charge distribution and the density and orientations of the surface OH groups. The H2O density profiles and other structural and dynamic characteristics of water at the two siloxane surfaces are very different from each other and from the hydroxide surfaces, since the muscovite surface is negatively charged and hydrophilic, while the talc surface is electrostatically neutral and hydrophobic. In general, at hydrophilic neutral surfaces both donating and accepting H-bonds from the H2O molecules are contributing to the development of the interfacial H-bond network, whereas at hydrophilic but charged surfaces only accepting or donating H-bonds with H2O molecules are possible. At the hydrophobic talc surface H-bonds among H2O molecules dominate the interfacial H-bond network and the water-surface interactions are very weak. The first water layer at all substrates is well ordered parallel to the surface, reflecting substrate crystal structures and indicating the reduced translational and orientational mobility of interfacial H2O molecules. At longer time scale (~100ps) their dynamics can be decomposed into a slow, virtually frozen, regime due to the substrate- bound H2O and a faster regime of almost free water reflecting the dynamics far from the surface. At shorter times (>10ps) the two dynamical regimes are superimposed. The much higher ordering of interfacial water (compared to bulk liquid) can not be adequately described as simply "ice-like". To some extent, it rather resembles the behavior of supercooled water.

Water Level Prediction of Lake Cascade Mahakam Using Adaptive Neural Network Backpropagation (ANNBP)

NASA Astrophysics Data System (ADS)

Mislan; Gaffar, A. F. O.; Haviluddin; Puspitasari, N.

2018-04-01

A natural hazard information and flood events are indispensable as a form of prevention and improvement. One of the causes is flooding in the areas around the lake. Therefore, forecasting the surface of Lake water level to anticipate flooding is required. The purpose of this paper is implemented computational intelligence method namely Adaptive Neural Network Backpropagation (ANNBP) to forecasting the Lake Cascade Mahakam. Based on experiment, performance of ANNBP indicated that Lake water level prediction have been accurate by using mean square error (MSE) and mean absolute percentage error (MAPE). In other words, computational intelligence method can produce good accuracy. A hybrid and optimization of computational intelligence are focus in the future work.

Meteorology and GNSS? What is the benefit?

NASA Astrophysics Data System (ADS)

Drummond, P.; Grünig, S.

2010-12-01

Due to the strong correlation between water vapor in the atmosphere and GNSS tropospheric propagation delays, we can estimate the Integrated Precipitable Water Vapor (IPWV) in the atmosphere through GNSS measurements. This parameter is crucial for meteorologists as the water content in the atmosphere is a key parameter in the weather models. The Total Electron Content (TEC) in the ionosphere has a huge impact on the ionospheric propagation delay in GNSS signals. By computing the ionospheric delay from GNSS measurements it is possible to predict the TEC which is an excellent indicator for ionospheric activity. The benefit is that we can estimate the influence on the RTK performance from TEC values. The atmospheric feature in the Trimble Atmosphere App (as well as in VRSNet software) allows computing both IPWV and TEC values from a CORS network. IPWV is computed using surface meteorological data such as temperature and pressure as well as radiosonde data. The results are shown in a table like form as well as in numerous graphical forms such as contour and surface plots, station and condition charts. The computed values can be animated in a movie over the last 24 hours.

Numerical Simulation of the Water Cycle Change Over the 20th Century

NASA Technical Reports Server (NTRS)

Bosilovich, Michael G.; Schubert, Siegfried D.

2003-01-01

We have used numerical models to test the impact of the change in Sea Surface Temperatures (SSTs) and carbon dioxide (CO2) concentration on the global circulation, particularly focusing on the hydrologic cycle, namely the global cycling of water and continental recycling of water. We have run four numerical simulations using mean annual SST from the early part of the 20th century (1900-1920) and the later part (1980-2000). In addition, we vary the CO2 concentrations for these periods as well. The duration of the simulations is 15 years, and the spatial resolution is 2 degrees. We use passive tracers to study the geographical sources of water. Surface evaporation from predetermined continental and oceanic regions provides the source of water for each passive tracer. In this way, we compute the percent of precipitation of each region over the globe. This can also be used to estimate precipitation recycling. In addition, we are using the passive tracers to independently compute the global cycling of water (compared to the traditional, Q/P calculation).

Sources of groundwater and characteristics of surface-water recharge at Bell, White, and Suwannee Springs, Florida, 2012–13

USGS Publications Warehouse

Stamm, John F.; McBride, W. Scott

2016-12-21

Discharge from springs in Florida is sourced from aquifers, such as the Upper Floridan aquifer, which is overlain by an upper confining unit that locally can have properties of an aquifer. Water levels in aquifers are affected by several factors, such as precipitation, recharge, and groundwater withdrawals, which in turn can affect discharge from springs. Therefore, identifying groundwater sources and recharge characteristics can be important in assessing how these factors might affect flows and water levels in springs and can be informative in broader applications such as groundwater modeling. Recharge characteristics include the residence time of water at the surface, apparent age of recharge, and recharge water temperature.The groundwater sources and recharge characteristics of three springs that discharge from the banks of the Suwannee River in northern Florida were assessed for this study: Bell Springs, White Springs, and Suwannee Springs. Sources of groundwater were also assessed for a 150-foot-deep well finished within the Upper Floridan aquifer, hereafter referred to as the UFA well. Water samples were collected for geochemical analyses in November 2012 and October 2013 from the three springs and the UFA well. Samples were analyzed for a suite of major ions, dissolved gases, and isotopes of sulfur, strontium, oxygen, and hydrogen. Daily means of water level and specific conductance at White Springs were continuously recorded from October 2012 through December 2013 by the Suwannee River Water Management District. Suwannee River stage at White Springs was computed on the basis of stage at a U.S. Geological Survey streamgage about 2.4 miles upstream. Water levels in two wells, located about 2.5 miles northwest and 13 miles southeast of White Springs, were also used in the analyses.Major ion concentrations were used to differentiate water from the springs and Upper Floridan aquifer into three groups: Bell Springs, UFA well, and White and Suwannee Springs. When considered together, evidence from water-level, specific conductance, major-ion concentration, and isotope data indicated that groundwater at Bell Springs and the UFA well was a mixture of surface water and groundwater from the upper confining unit, and that groundwater at White and Suwannee Springs was a mixture of surface water, groundwater from the upper confining unit, and groundwater from the Upper Floridan aquifer. Higher concentrations of magnesium in groundwater samples at the UFA well than in samples at Bell Springs might indicate less mixing with surface water at the UFA well than at Bell Springs. Characteristics of surface-water recharge, such as residence time at the surface, apparent age, and recharge water temperature, were estimated on the basis of isotopic ratios, and dissolved concentrations of gases such as argon, tritium, and sulfur hexafluoride. Oxygen and deuterium isotopic ratios were consistent with rapid recharge by rainwater for samples collected in 2012, and longer residence time at the surface (ponding) for samples collected in 2013. Apparent ages of groundwater samples, computed on the basis of tritium activity and sulfur hexafluoride concentration, indicated groundwater recharge occurred after the late 1980s; however, the estimated apparent ages likely represent the average of ages of multiple sources. Recharge since the 1980s is consistent with groundwater from shallow sources, such as the upper confining unit and Upper Floridan aquifer. Recharge water temperature computed for the three springs and UFA well averaged 20.1 degrees Celsius, which is similar to the mean annual air temperature of 20.6 degrees Celsius at a nearby weather station for 1960–2014.

Interfacial Effects on the Band Edges of Functionalized Si Surfaces in Liquid Water

DOE PAGES

Pham, Tuan Anh; Lee, Donghwa; Schwegler, Eric; ...

2014-11-17

By combining ab initio molecular dynamics simulations and many-body perturbation theory calculations of electronic energy levels, we determined the band edge positions of functionalized Si(111) surfaces in the presence of liquid water, with respect to vacuum and to water redox potentials. We considered surface terminations commonly used for Si photoelectrodes in water splitting experiments. We found that, when exposed to water, the semiconductor band edges were shifted by approximately 0.5 eV in the case of hydrophobic surfaces, irrespective of the termination. The effect of the liquid on band edge positions of hydrophilic surfaces was much more significant and determined bymore » a complex combination of structural and electronic effects. These include structural rearrangements of the semiconductor surfaces in the presence of water, changes in the orientation of interfacial water molecules with respect to the bulk liquid, and charge transfer at the interfaces, between the solid and the liquid. Our results showed that the use of many-body perturbation theory is key to obtain results in agreement with experiments; they also showed that the use of simple computational schemes that neglect the detailed microscopic structure of the solid–liquid interface may lead to substantial errors in predicting the alignment between the solid band edges and water redox potentials.« less

Models of Fate and Transport of Pollutants in Surface Waters

NASA Astrophysics Data System (ADS)

Okome, Gloria Eloho

There is the need to answer very crucial questions of "what happens to pollutants in surface waters?" This question must be answered to determine the factors controlling fate and transport of chemicals and their evolutionary state in surface waters. Monitoring and experimental methods are used in establishing the environmental states. These measurements are used with the known scientific principles to identify processes and to estimate the future environmental conditions. Conceptual and computational models are needed to analyze environmental processes by applying the knowledge gained from experimentation and theory. Usually, a computational framework includes the mathematics and the physics of the phenomenon, and the measured characteristics to model pollutants interactions and transport in surface water. However, under certain conditions, the complexity of the situation in the actual environment precludes the utilization of these techniques. Pollutants in several forms: Nitrogen (Nitrate, Nitrite, Kjeldhal Nitrogen and Ammonia), Phosphorus (orthophosphate and total phosphorus), bacteria (E-coli and Fecal coliform), Salts (Chloride and Sulfate) are chosen to follow for this research. The objective of this research is to model the fate and transport of these pollutants in non-ideal conditions of surface water measurements and to develop computational methods to forecast their fate and transport. In an environment of extreme drought such as in the Brazos River basin, where small streams flow intermittently, there is added complexity due to the absence of regularly sampled data. The usual modeling techniques are no longer applicable because of sparse measurements in space and time. Still, there is a need to estimate the conditions of the environment from the information that is present. Alternative methods for this estimation must be devised and applied to this situation, which is the task of this dissertation. This research devices a forecasting technique that is based upon sparse data. The method uses the equations of functions that fit the time series data for pollutants at each water quality monitoring stations to interpolate and extrapolate the data and to make estimates of present and future pollution levels. This method was applied to data obtained from the Leon River watershed (Indian creek) and Navasota River.

Adsorption and solvation of ethanol at the water liquid-vapor interface: a molecular dynamics study

NASA Technical Reports Server (NTRS)

Wilson, M. A.; Pohorille, A.

1997-01-01

The free energy profiles of methanol and ethanol at the water liquid-vapor interface at 310K were calculated using molecular dynamics computer simulations. Both alcohols exhibit a pronounced free energy minimum at the interface and, therefore, have positive adsorption at this interface. The surface excess was computed from the Gibbs adsorption isotherm and was found to be in good agreement with experimental results. Neither compound exhibits a free energy barrier between the bulk and the surface adsorbed state. Scattering calculations of ethanol molecules from a gas phase thermal distribution indicate that the mass accommodation coefficient is 0.98, and the molecules become thermalized within 10 ps of striking the interface. It was determined that the formation of the solvation structure around the ethanol molecule at the interface is not the rate-determining step in its uptake into water droplets. The motion of an ethanol molecule in a water lamella was followed for 30 ns. The time evolution of the probability distribution of finding an ethanol molecule that was initially located at the interface is very well described by the diffusion equation on the free energy surface.

Connecticut Highlands Technical Report - Documentation of the Regional Rainfall-Runoff Model

USGS Publications Warehouse

Ahearn, Elizabeth A.; Bjerklie, David M.

2010-01-01

This report provides the supporting data and describes the data sources, methodologies, and assumptions used in the assessment of existing and potential water resources of the Highlands of Connecticut and Pennsylvania (referred to herein as the “Highlands”). Included in this report are Highlands groundwater and surface-water use data and the methods of data compilation. Annual mean streamflow and annual mean base-flow estimates from selected U.S. Geological Survey (USGS) gaging stations were computed using data for the period of record through water year 2005. The methods of watershed modeling are discussed and regional and sub-regional water budgets are provided. Information on Highlands surface-water-quality trends is presented. USGS web sites are provided as sources for additional information on groundwater levels, streamflow records, and ground- and surface-water-quality data. Interpretation of these data and the findings are summarized in the Highlands study report.

Culvert analysis program for indirect measurement of discharge

USGS Publications Warehouse

Fulford, Janice M.; ,

1993-01-01

A program based on the U.S. Geological Survey (USGS) methods for indirectly computing peak discharges through culverts allows users to employ input data formats used by the water surface profile program (WSPRO). The program can be used to compute discharge rating surfaces or curves that describe the behavior of flow through a particular culvert or to compute discharges from measurements of upstream of the gradually varied flow equations and has been adapted slightly to provide solutions that minimize the need for the user to determine between different flow regimes. The program source is written in Fortran 77 and has been run on mini-computers and personal computers. The program does not use or require graphics capability, a color monitor, or a mouse.

Two-dimensional description of surface-bounded exospheres with application to the migration of water molecules on the Moon

NASA Astrophysics Data System (ADS)

Schorghofer, Norbert

2015-05-01

On the Moon, water molecules and other volatiles are thought to migrate along ballistic trajectories. Here, this migration process is described in terms of a two-dimensional partial differential equation for the surface concentration, based on the probability distribution of thermal ballistic hops. A random-walk model, a corresponding diffusion coefficient, and a continuum description are provided. In other words, a surface-bounded exosphere is described purely in terms of quantities on the surface, which can provide computational and conceptual advantages. The derived continuum equation can be used to calculate the steady-state distribution of the surface concentration of volatile water molecules. An analytic steady-state solution is obtained for an equatorial ring; it reveals the width and mass of the pileup of molecules at the morning terminator.

Retrieval of surface temperature by remote sensing. [of earth surface using brightness temperature of air pollutants

NASA Technical Reports Server (NTRS)

Gupta, S. K.; Tiwari, S. N.

1976-01-01

A simple procedure and computer program were developed for retrieving the surface temperature from the measurement of upwelling infrared radiance in a single spectral region in the atmosphere. The program evaluates the total upwelling radiance at any altitude in the region of the CO fundamental band (2070-2220 1/cm) for several values of surface temperature. Actual surface temperature is inferred by interpolation of the measured upwelling radiance between the computed values of radiance for the same altitude. Sensitivity calculations were made to determine the effect of uncertainty in various surface, atmospheric and experimental parameters on the inferred value of surface temperature. It is found that the uncertainties in water vapor concentration and surface emittance are the most important factors affecting the accuracy of the inferred value of surface temperature.

A comparison of operational remote sensing-based models for estimating crop evapotranspiration

USDA-ARS?s Scientific Manuscript database

The integration of remotely sensed data into models of actual evapotranspiration has allowed for the estimation of water consumption across agricultural regions. Two modeling approaches have been successfully applied. The first approach computes a surface energy balance using the radiometric surface...

HYSEP: A Computer Program for Streamflow Hydrograph Separation and Analysis

USGS Publications Warehouse

Sloto, Ronald A.; Crouse, Michele Y.

1996-01-01

HYSEP is a computer program that can be used to separate a streamflow hydrograph into base-flow and surface-runoff components. The base-flow component has traditionally been associated with ground-water discharge and the surface-runoff component with precipitation that enters the stream as overland runoff. HYSEP includes three methods of hydrograph separation that are referred to in the literature as the fixed interval, sliding-interval, and local-minimum methods. The program also describes the frequency and duration of measured streamflow and computed base flow and surface runoff. Daily mean stream discharge is used as input to the program in either an American Standard Code for Information Interchange (ASCII) or binary format. Output from the program includes table,s graphs, and data files. Graphical output may be plotted on the computer screen or output to a printer, plotter, or metafile.

The Displacement of Water from a Steel Surface.

DTIC Science & Technology

1982-11-08

example Report No. NADC-78015-20 indicates the fifteeth Center report for the year 1978, and prepared by the Systems. Directorate. The numerical ...50 Software Computer Directorate 60 Aircraft & Crew Systems Technology Directorate 70 Planning Assessment Resources 80 Eneing.Support Group . PRODUCT...Table I.- Water Displacement Tests TEST METHD Continuous water layer, A thin continuous layer of water is references (a) and (d) placed onto a steel

Optimizing conjunctive use of surface water and groundwater resources with stochastic dynamic programming

NASA Astrophysics Data System (ADS)

Davidsen, Claus; Liu, Suxia; Mo, Xingguo; Rosbjerg, Dan; Bauer-Gottwein, Peter

2014-05-01

Optimal management of conjunctive use of surface water and groundwater has been attempted with different algorithms in the literature. In this study, a hydro-economic modelling approach to optimize conjunctive use of scarce surface water and groundwater resources under uncertainty is presented. A stochastic dynamic programming (SDP) approach is used to minimize the basin-wide total costs arising from water allocations and water curtailments. Dynamic allocation problems with inclusion of groundwater resources proved to be more complex to solve with SDP than pure surface water allocation problems due to head-dependent pumping costs. These dynamic pumping costs strongly affect the total costs and can lead to non-convexity of the future cost function. The water user groups (agriculture, industry, domestic) are characterized by inelastic demands and fixed water allocation and water supply curtailment costs. As in traditional SDP approaches, one step-ahead sub-problems are solved to find the optimal management at any time knowing the inflow scenario and reservoir/aquifer storage levels. These non-linear sub-problems are solved using a genetic algorithm (GA) that minimizes the sum of the immediate and future costs for given surface water reservoir and groundwater aquifer end storages. The immediate cost is found by solving a simple linear allocation sub-problem, and the future costs are assessed by interpolation in the total cost matrix from the following time step. Total costs for all stages, reservoir states, and inflow scenarios are used as future costs to drive a forward moving simulation under uncertain water availability. The use of a GA to solve the sub-problems is computationally more costly than a traditional SDP approach with linearly interpolated future costs. However, in a two-reservoir system the future cost function would have to be represented by a set of planes, and strict convexity in both the surface water and groundwater dimension cannot be maintained. The optimization framework based on the GA is still computationally feasible and represents a clean and customizable method. The method has been applied to the Ziya River basin, China. The basin is located on the North China Plain and is subject to severe water scarcity, which includes surface water droughts and groundwater over-pumping. The head-dependent groundwater pumping costs will enable assessment of the long-term effects of increased electricity prices on the groundwater pumping. The coupled optimization framework is used to assess realistic alternative development scenarios for the basin. In particular the potential for using electricity pricing policies to reach sustainable groundwater pumping is investigated.

Section 1. Simulation of surface-water integrated flow and transport in two-dimensions: SWIFT2D user's manual

USGS Publications Warehouse

Schaffranek, Raymond W.

2004-01-01

A numerical model for simulation of surface-water integrated flow and transport in two (horizontal-space) dimensions is documented. The model solves vertically integrated forms of the equations of mass and momentum conservation and solute transport equations for heat, salt, and constituent fluxes. An equation of state for salt balance directly couples solution of the hydrodynamic and transport equations to account for the horizontal density gradient effects of salt concentrations on flow. The model can be used to simulate the hydrodynamics, transport, and water quality of well-mixed bodies of water, such as estuaries, coastal seas, harbors, lakes, rivers, and inland waterways. The finite-difference model can be applied to geographical areas bounded by any combination of closed land or open water boundaries. The simulation program accounts for sources of internal discharges (such as tributary rivers or hydraulic outfalls), tidal flats, islands, dams, and movable flow barriers or sluices. Water-quality computations can treat reactive and (or) conservative constituents simultaneously. Input requirements include bathymetric and topographic data defining land-surface elevations, time-varying water level or flow conditions at open boundaries, and hydraulic coefficients. Optional input includes the geometry of hydraulic barriers and constituent concentrations at open boundaries. Time-dependent water level, flow, and constituent-concentration data are required for model calibration and verification. Model output consists of printed reports and digital files of numerical results in forms suitable for postprocessing by graphical software programs and (or) scientific visualization packages. The model is compatible with most mainframe, workstation, mini- and micro-computer operating systems and FORTRAN compilers. This report defines the mathematical formulation and computational features of the model, explains the solution technique and related model constraints, describes the model framework, documents the type and format of inputs required, and identifies the type and format of output available.

Use of hydrologic budgets and hydrochemistry to determine ground-water and surface-water interactions for Rapid Creek, Western South Dakota

USGS Publications Warehouse

Anderson, Mark T.

1995-01-01

The study of ground-water and surface-water interactions often employs streamflow-gaging records and hydrologic budgets to determine ground-water seepage. Because ground-water seepage usually is computed as a residual in the hydrologic budget approach, all uncertainty of measurement and estimation of budget components is associated with the ground-water seepage. This uncertainty can exceed the estimate, especially when streamflow and its associated error of measurement, is large relative to other budget components. In a study of Rapid Creek in western South Dakota, the hydrologic budget approach with hydrochemistry was combined to determine ground-water seepage. The City of Rapid City obtains most of its municipal water from three infiltration galleries (Jackson Springs, Meadowbrook, and Girl Scout) constructed in the near-stream alluvium along Rapid Creek. The reach of Rapid Creek between Pactola Reservoir and Rapid City and, in particular the two subreaches containing the galleries, were studied intensively to identify the sources of water to each gallery. Jackson Springs Gallery was found to pump predominantly ground water with a minor component of surface water. Meadowbrook and Girl Scout Galleries induce infiltration of surface water from Rapid Creek but also have a significant component of ground water.

A microphysical parameterization of aqSOA and sulfate formation in clouds

NASA Astrophysics Data System (ADS)

McVay, Renee; Ervens, Barbara

2017-07-01

Sulfate and secondary organic aerosol (cloud aqSOA) can be chemically formed in cloud water. Model implementation of these processes represents a computational burden due to the large number of microphysical and chemical parameters. Chemical mechanisms have been condensed by reducing the number of chemical parameters. Here an alternative is presented to reduce the number of microphysical parameters (number of cloud droplet size classes). In-cloud mass formation is surface and volume dependent due to surface-limited oxidant uptake and/or size-dependent pH. Box and parcel model simulations show that using the effective cloud droplet diameter (proportional to total volume-to-surface ratio) reproduces sulfate and aqSOA formation rates within ≤30% as compared to full droplet distributions; other single diameters lead to much greater deviations. This single-class approach reduces computing time significantly and can be included in models when total liquid water content and effective diameter are available.

A simple analytical formula to compute clear sky total and photosynthetically available solar irradiance at the ocean surface

NASA Technical Reports Server (NTRS)

Frouin, Robert; Lingner, David W.; Gautier, Catherine; Baker, Karen S.; Smith, Ray C.

1989-01-01

A simple but accurate analytical formula was developed for computing the total and the photosynthetically available solar irradiances at the ocean surface under clear skies, which takes into account the processes of scattering by molecules and aerosols within the atmosphere and of absorption by the water vapor, ozone, and aerosols. These processes are parameterized as a function of solar zenith angle, aerosol type, atmospheric visibility, and vertically integrated water-vapor and ozone amounts. Comparisons of the calculated and measured total and photosynthetically available solar irradiances for several experiments in tropical and mid-latitude ocean regions show 39 and 14 Wm/sq m rms errors (6.5 and 4.7 percent of the average measured values) on an hourly time scale, respectively. The proposed forumula is unique in its ability to predict surface solar irradiance in the photosynthetically active spectral interval.

Bathymetric surveys of Morse and Geist Reservoirs in central Indiana made with acoustic Doppler current profiler and global positioning system technology, 1996

USGS Publications Warehouse

Wilson, J.T.; Morlock, S.E.; Baker, N.T.

1997-01-01

Acoustic Doppler current profiler, global positioning system, and geographic information system technology were used to map the bathymetry of Morse and Geist Reservoirs, two artificial lakes used for public water supply in central Indiana. The project was a pilot study to evaluate the use of the technologies for bathymetric surveys. Bathymetric surveys were last conducted in 1978 on Morse Reservoir and in 1980 on Geist Reservoir; those surveys were done with conventional methods using networks of fathometer transects. The 1996 bathymetric surveys produced updated estimates of reservoir volumes that will serve as base-line data for future estimates of storage capacity and sedimentation rates.An acoustic Doppler current profiler and global positioning system receiver were used to collect water-depth and position data from April 1996 through October 1996. All water-depth and position data were imported to a geographic information system to create a data base. The geographic information system then was used to generate water-depth contour maps and to compute the volumes for each reservoir.The computed volume of Morse Reservoir was 22,820 acre-feet (7.44 billion gallons), with a surface area of 1,484 acres. The computed volume of Geist Reservoir was 19,280 acre-feet (6.29 billion gallons), with a surface area of 1,848 acres. The computed 1996 reservoir volumes are less than the design volumes and indicate that sedimentation has occurred in both reservoirs. Cross sections were constructed from the computer-generated surfaces for 1996 and compared to the fathometer profiles from the 1978 and 1980 surveys; analysis of these cross sections also indicates that some sedimentation has occurred in both reservoirs.The acoustic Doppler current profiler, global positioning system, and geographic information system technologies described in this report produced bathymetric maps and volume estimates more efficiently and with comparable or greater resolution than conventional bathymetry methods.

Effect of Surface Oxidation on Interfacial Water Structure at a Pyrite (100) Surface as Studied by Molecular Dynamics Simulation

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

Jin, Jiaqi; Miller, Jan D.; Dang, Liem X.

2015-06-01

In the first part of this paper, a Scanning Electron Microscopy and contact angle study of a pyrite surface (100) is reported describing the relationship between surface oxidation and the hydrophilic surface state. In addition to these experimental results, the following simulated surface states were examined using Molecular Dynamics Simulation (MDS): fresh unoxidized (100) surface; polysulfide at the (100) surface; elemental sulfur at the (100) surface. Crystal structures for the polysulfide and elemental sulfur at the (100) surface were simulated using Density Functional Theory (DFT) quantum chemical calculations. The well known oxidation mechanism which involves formation of a metal deficientmore » layer was also described with DFT. Our MDS results of the behavior of interfacial water at the fresh and oxidized pyrite (100) surfaces without/with the presence of ferric hydroxide include simulated contact angles, number density distribution for water, water dipole orientation, water residence time, and hydrogen-bonding considerations. The significance of the formation of ferric hydroxide islands in accounting for the corresponding hydrophilic surface state is revealed not only from experimental contact angle measurements but also from simulated contact angle measurements using MDS. The hydrophilic surface state developed at oxidized pyrite surfaces has been described by MDS, on which basis the surface state is explained based on interfacial water structure. The Division of Chemical Sciences, Geosciences, and Biosciences, Office of Basic Energy Sciences (BES), of the DOE funded work performed by Liem X. Dang. Battelle operates the Pacific Northwest National Laboratory for DOE. The calculations were carried out using computer resources provided by BES.« less

Earth-atmosphere system and surface reflectivities in arid regions from Landsat MSS data

NASA Technical Reports Server (NTRS)

Otterman, J.; Fraser, R. S.

1976-01-01

Previously developed programs for computing atmospheric transmission and scattering of the solar radiation are used to compute the ratios of the earth-atmosphere system (space) directional reflectivities in the nadir direction to the surface Lambertian reflectivity, for the four bands of the Landsat multispectral scanner (MSS). These ratios are presented as graphs for two water vapor levels, as a function of the surface reflectivity, for various sun elevation angles. Space directional reflectivities in the vertical direction are reported for selected arid regions in Asia, Africa, and Central America from the spectral radiance levels measured by the Landsat MSS. From these space reflectivities, surface reflectivities are computed applying the pertinent graphs. These surface reflectivities are used to estimate the surface albedo for the entire solar spectrum. The estimated albedos are in the range 0.34-0.52, higher than the values reported by most previous researchers from space measurements, but are consistent with laboratory and in situ measurements.

Evaluation and Analysis of Urmia Lake Water Level Fluctuations Bettwen 1998-2006 Using Landsat Images and TOPEX Altimetry Data

NASA Astrophysics Data System (ADS)

Zahir, N.; Ali, A.

2015-12-01

The Lake Urmiah has undergone a drastic shrinkage in size over the past few decades. The initial intention of this paper is to present an approach for determining the so called "salient times" during which the trend of the shrinkage process is accelerated or decelerated. To find these salient times, a quasi_continuous curve was optimally fitted to the Topex altimetry data within the period 1998 to 2006. To find the salient points within this period of time, the points of inflections of the fitted curve is computed using a second derivative approach. The water volume was also computed using 16 cloud free Landsat images of the Lake within the periods of 1998 to 2006. In the first stage of the water volume calculation, the pixels of the Lake were segmented using the Automated Water Extraction Index (AWEI) and the shorelines of the Lake were extracted by a boundary detecting operator using the generated binary image of the Lake surface. The water volume fluctuation rate was then computed under the assumption that the two successive Lake surfaces and their corresponding water level differences demonstrate approximately a truncated pyramid. The analysis of the water level fluctuation rates were further extended by a sinusoidal curve fitted to the Topex altimetry data. This curve was intended to model the seasonal fluctuations of the water level. In the final stage of this article, the correlation between the fluctuation rates and the precipitation and temperature variations were also numerically determined. This paper reports in some details the stages mentioned above.

TOPMODEL simulations of streamflow and depth to water table in Fishing Brook Watershed, New York, 2007-09

USGS Publications Warehouse

Nystrom, Elizabeth A.; Burns, Douglas A.

2011-01-01

TOPMODEL uses a topographic wetness index computed from surface-elevation data to simulate streamflow and subsurface-saturation state, represented by the saturation deficit. Depth to water table was computed from simulated saturation-deficit values using computed soil properties. In the Fishing Brook Watershed, TOPMODEL was calibrated to the natural logarithm of streamflow at the study area outlet and depth to water table at Sixmile Wetland using a combined multiple-objective function. Runoff and depth to water table responded differently to some of the model parameters, and the combined multiple-objective function balanced the goodness-of-fit of the model realizations with respect to these parameters. Results show that TOPMODEL reasonably simulated runoff and depth to water table during the study period. The simulated runoff had a Nash-Sutcliffe efficiency of 0.738, but the model underpredicted total runoff by 14 percent. Depth to water table computed from simulated saturation-deficit values matched observed water-table depth moderately well; the root mean squared error of absolute depth to water table was 91 millimeters (mm), compared to the mean observed depth to water table of 205 mm. The correlation coefficient for temporal depth-to-water-table fluctuations was 0.624. The variability of the TOPMODEL simulations was assessed using prediction intervals grouped using the combined multiple-objective function. The calibrated TOPMODEL results for the entire study area were applied to several subwatersheds within the study area using computed hydrogeomorphic properties of the subwatersheds.

Multidimensional effects in the thermal response of fuel rod simulators. [PWR

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

Dabbs, R.D.; Ott, L.J.

1980-01-01

One of the primary objectives of the Oak Ridge National Laboratory Pressurized-Water Reactor Blowdown Heat Transfer Separate-Effects Program is the determination of the transient surface temperature and surface heat flux of fuel pin simulators (FPSs) from internal thermocouple signals obtained during a loss-of-coolant experiment (LOCE) in the Thermal-Hydraulics Test Facility. This analysis requires the solution of the classical inverse heat conduction problem. The assumptions that allow the governing differential equation to be reduced to one dimension can introduce significant errors in the computed surface heat flux and surface temperature. The degree to which these computed variables are perturbed is addressedmore » and quantified.« less

Passivation of surface states of α-Fe2O3(0001) surface by deposition of Ga2O3 overlayers: A density functional theory study.

PubMed

Ulman, Kanchan; Nguyen, Manh-Thuong; Seriani, Nicola; Gebauer, Ralph

2016-03-07

There is a big debate in the community regarding the role of surface states of hematite in the photoelectrochemical water splitting. Experimental studies on non-catalytic overlayers passivating the hematite surface states claim a favorable reduction in the overpotential for the water splitting reaction. As a first step towards understanding the effect of these overlayers, we have studied the system Ga2O3 overlayers on hematite (0001) surfaces using first principles computations in the PBE+U framework. Our computations suggest that stoichiometric terminations of Ga2O3 overlayers are energetically more favored than the bare surface, at ambient oxygen chemical potentials. Energetics suggest that the overlayers prefer to grow via a layer-plus-island (Stranski-Krastanov) growth mode with a critical layer thickness of 1-2 layers. Thus, a complete wetting of the hematite surface by an overlayer of gallium oxide is thermodynamically favored. We establish that the effect of deposition of the Ga2O3 overlayers on the bare hematite surface is to passivate the surface states for the stoichiometric termination. For the oxygen terminated surface which is the most stable termination under photoelectrochemical conditions, the effect of deposition of the Ga2O3 overlayer is to passivate the hole-trapping surface state.

Dynamic effects of root system architecture improve root water uptake in 1-D process-based soil-root hydrodynamics

NASA Astrophysics Data System (ADS)

Bouda, Martin; Saiers, James E.

2017-12-01

Root system architecture (RSA) can significantly affect plant access to water, total transpiration, as well as its partitioning by soil depth, with implications for surface heat, water, and carbon budgets. Despite recent advances in land surface model (LSM) descriptions of plant hydraulics, descriptions of RSA have not been included because of their three-dimensional complexity, which makes them generally too computationally costly. Here we demonstrate a new, process-based 1D layered model that captures the dynamic shifts in water potential gradients of 3D RSA under different soil moisture conditions: the RSA stencil. Using root systems calibrated to the rooting profiles of four plant functional types (PFT) of the Community Land Model, we show that the RSA stencil predicts plant water potentials within 2% to the outputs of a full 3D model, under the same assumptions on soil moisture heterogeneity, despite its trivial computational cost, resulting in improved predictions of water uptake and soil moisture compared to a model without RSA in a transient simulation. Our results suggest that LSM predictions of soil moisture dynamics and dependent variables can be improved by the implementation of this model, calibrated for individual PFTs using field observations.

The putative liquid-liquid transition is a liquid-solid transition in atomistic models of water. II

NASA Astrophysics Data System (ADS)

Limmer, David T.; Chandler, David

2013-06-01

This paper extends our earlier studies of free energy functions of density and crystalline order parameters for models of supercooled water, which allows us to examine the possibility of two distinct metastable liquid phases [D. T. Limmer and D. Chandler, J. Chem. Phys. 135, 134503 (2011), 10.1063/1.3643333 and preprint arXiv:1107.0337 (2011)]. Low-temperature reversible free energy surfaces of several different atomistic models are computed: mW water, TIP4P/2005 water, Stillinger-Weber silicon, and ST2 water, the last of these comparing three different treatments of long-ranged forces. In each case, we show that there is one stable or metastable liquid phase, and there is an ice-like crystal phase. The time scales for crystallization in these systems far exceed those of structural relaxation in the supercooled metastable liquid. We show how this wide separation in time scales produces an illusion of a low-temperature liquid-liquid transition. The phenomenon suggesting metastability of two distinct liquid phases is actually coarsening of the ordered ice-like phase, which we elucidate using both analytical theory and computer simulation. For the latter, we describe robust methods for computing reversible free energy surfaces, and we consider effects of electrostatic boundary conditions. We show that sensible alterations of models and boundary conditions produce no qualitative changes in low-temperature phase behaviors of these systems, only marginal changes in equations of state. On the other hand, we show that altering sampling time scales can produce large and qualitative non-equilibrium effects. Recent reports of evidence of a liquid-liquid critical point in computer simulations of supercooled water are considered in this light.

The putative liquid-liquid transition is a liquid-solid transition in atomistic models of water. II.

PubMed

Limmer, David T; Chandler, David

2013-06-07

This paper extends our earlier studies of free energy functions of density and crystalline order parameters for models of supercooled water, which allows us to examine the possibility of two distinct metastable liquid phases [D. T. Limmer and D. Chandler, J. Chem. Phys. 135, 134503 (2011) and preprint arXiv:1107.0337 (2011)]. Low-temperature reversible free energy surfaces of several different atomistic models are computed: mW water, TIP4P/2005 water, Stillinger-Weber silicon, and ST2 water, the last of these comparing three different treatments of long-ranged forces. In each case, we show that there is one stable or metastable liquid phase, and there is an ice-like crystal phase. The time scales for crystallization in these systems far exceed those of structural relaxation in the supercooled metastable liquid. We show how this wide separation in time scales produces an illusion of a low-temperature liquid-liquid transition. The phenomenon suggesting metastability of two distinct liquid phases is actually coarsening of the ordered ice-like phase, which we elucidate using both analytical theory and computer simulation. For the latter, we describe robust methods for computing reversible free energy surfaces, and we consider effects of electrostatic boundary conditions. We show that sensible alterations of models and boundary conditions produce no qualitative changes in low-temperature phase behaviors of these systems, only marginal changes in equations of state. On the other hand, we show that altering sampling time scales can produce large and qualitative non-equilibrium effects. Recent reports of evidence of a liquid-liquid critical point in computer simulations of supercooled water are considered in this light.

Natural flow and water consumption in the Milk River basin, Montana and Alberta, Canada

USGS Publications Warehouse

Thompson, R.E.

1986-01-01

A study was conducted to determine the differences between natural and nonnatural Milk River streamflow, to delineate and quantify the types and effects of water consumption on streamflow, and to refine the current computation procedure into one which computes and apportions natural flow. Water consumption consists principally of irrigated agriculture, municipal use, and evapotranspiration. Mean daily water consumption by irrigation ranged from 10 cu ft/sec to 26 cu ft/sec in the Canada part and from 6 cu ft/sec to 41 cu ft/sec in the US part. Two Canadian municipalities consume about 320 acre-ft and one US municipality consumes about 20 acre-ft yearly. Evaporation from the water surface comprises 80% 0 90% of the flow reduction in the Milk River attributed to total evapotranspiration. The current water-budget approach for computing natural flow of the Milk River where it reenters the US was refined into an interim procedure which includes allowances for man-induced consumption and a method for apportioning computed natural flow between the US and Canada. The refined procedure is considered interim because further study of flow routing, tributary inflow, and man-induced consumption is needed before a more accurate procedure for computing natural flow can be developed. (Author 's abstract)

Microwave remote sensing of soil water content

NASA Technical Reports Server (NTRS)

Cihlar, J.; Ulaby, F. T.

1975-01-01

Microwave remote sensing of soils to determine water content was considered. A layered water balance model was developed for determining soil water content in the upper zone (top 30 cm), while soil moisture at greater depths and near the surface during the diurnal cycle was studied using experimental measurements. Soil temperature was investigated by means of a simulation model. Based on both models, moisture and temperature profiles of a hypothetical soil were generated and used to compute microwave soil parameters for a clear summer day. The results suggest that, (1) soil moisture in the upper zone can be predicted on a daily basis for 1 cm depth increments, (2) soil temperature presents no problem if surface temperature can be measured with infrared radiometers, and (3) the microwave response of a bare soil is determined primarily by the moisture at and near the surface. An algorithm is proposed for monitoring large areas which combines the water balance and microwave methods.

Drawbar Pull

DTIC Science & Technology

2017-01-26

Includes procedures for hard surface, soil , and water tests. Discusses vehicle preparation, instrumentation method of computing results, data reduction...and amphibious vehicles. 15. SUBJECT TERMS Bollard pull Soft- soil mobility Drawbar pull Vehicle, amphibious Drawbar horsepower Vehicle...4.3 Drawbar Pull in Soft Soil ................................................. 8 4.4 Amphibious Vehicle Tests (Drawbar Pull in Water and Bollard Pull

TESTING LINKAGES BETWEEN GROUNDWATER, WATERSHED, AND IN-STREAM MODELS IN THE CONTENTNEA CREEK BASIN, NORTH CAROLINA, USA

EPA Science Inventory

Computer modeling provides support for the development of TMDLs (total maximum daily loads) of impaired water bodies. Evaluations of TMDLs for nutrients, especially for nitrogen, benefits from a multi-media assessment (i.e., atmosphere, landscape, subsurface, surface water). In t...

Estimating changes in heat energy stored within a column of wetland surface water and factors controlling their importance in the surface energy budget

USGS Publications Warehouse

Shoemaker, W. Barclay; Sumner, David M.; Castillo, Adrian

2005-01-01

Changes in heat energy stored within a column of wetland surface water can be a considerable component of the surface energy budget, an attribute that is demonstrated by comparing changes in stored heat energy to net radiation at seven sites in the wetland areas of southern Florida, including the Everglades. The magnitude of changes in stored heat energy approached the magnitude of net radiation more often during the winter dry season than during the summer wet season. Furthermore, the magnitude of changes in stored heat energy in wetland surface water generally decreased as surface energy budgets were upscaled temporally. A new method was developed to estimate changes in stored heat energy that overcomes an important data limitation, namely, the limited spatial and temporal availability of water temperature measurements. The new method is instead based on readily available air temperature measurements and relies on the convolution of air temperature changes with a regression‐defined transfer function to estimate changes in water temperature. The convolution‐computed water temperature changes are used with water depths and heat capacity to estimate changes in stored heat energy within the Everglades wetland areas. These results likely can be adapted to other humid subtropical wetlands characterized by open water, saw grass, and rush vegetation type communities.

Communicating why land surface heterogeneity matters

NASA Astrophysics Data System (ADS)

Tague, C.; Burke, W.; Bart, R. R.; Turpin, E.; Wood, T.; Gordon, D.

2017-12-01

As hydrologic scientists, we know that land surface heterogeneity can have nuanced and sometimes dramatic impacts on the water cycle. Land surface characteristics, including the structure and composition of vegetation and soil storage and drainage properties, alter how incoming precipitation is translated into streamflow and evapotranspiration. Land surface heterogeneity can explain why this partitioning of incoming precipitation cannot always be computed by a simple water budget calculation. We also know that land surface characteristics are dynamic - vegetation grows and changes with fire, disease and human actions and these changes will alter the partitioning of water - how much so, however depends itself on other site characteristics - soil water storage and the timing and magnitude of precipitation. This complex impact of space-time dynamics on the water cycle is something we need to effectively communicate to non-experts. For example, we may want to explain why sometimes forest management practices increase water availability but sometimes they don't - or why the impacts of urbanization or fire are location specific. If we do not communicate these dependencies we risk over-simplifying and eroding scientific credibility when observed effects don't match simple generalizations. On the other hand excessive detail can overwhelm and disengage audiences. So how do we help different communities public, private landowners, other scientists, NGOs, governments to better understand the role of space-time heterogeneity. To address this issue, we present some results from ongoing work that looks at the impact of fuel treatment of forest ecohydrology. This work stem from a collaboration between an ecohydrologic modeling team, social-scientists, a visual artist and compute graphics students. We use a coupled model, validated with field measurements, to show why spatial heterogeneity matters for understanding the impact of fuel treatments on the water cycle for the Sierra Critical Zone Observatory. We summarize current findings and present initial designs for translating these science based results into interactive visualization and conceptual art installations with the goal of better communicating the different components of landscape heterogeneity and why it matters

Hyperresolution Global Land Surface Modeling: Meeting a Grand Challenge for Monitoring Earth's Terrestrial Water

NASA Technical Reports Server (NTRS)

Wood, Eric F.; Roundy, Joshua K.; Troy, Tara J.; van Beek, L. P. H.; Bierkens, Marc F. P.; 4 Blyth, Eleanor; de Roo, Ad; Doell. Petra; Ek, Mike; Famiglietti, James;

Hyperresolution global land surface modeling: Meeting a grand challenge for monitoring Earth's terrestrial water

NASA Astrophysics Data System (ADS)

Wood, Eric F.; Roundy, Joshua K.; Troy, Tara J.; van Beek, L. P. H.; Bierkens, Marc F. P.; Blyth, Eleanor; de Roo, Ad; DöLl, Petra; Ek, Mike; Famiglietti, James; Gochis, David; van de Giesen, Nick; Houser, Paul; Jaffé, Peter R.; Kollet, Stefan; Lehner, Bernhard; Lettenmaier, Dennis P.; Peters-Lidard, Christa; Sivapalan, Murugesu; Sheffield, Justin; Wade, Andrew; Whitehead, Paul

2011-05-01

Monitoring Earth's terrestrial water conditions is critically important to many hydrological applications such as global food production; assessing water resources sustainability; and flood, drought, and climate change prediction. These needs have motivated the development of pilot monitoring and prediction systems for terrestrial hydrologic and vegetative states, but to date only at the rather coarse spatial resolutions (˜10-100 km) over continental to global domains. Adequately addressing critical water cycle science questions and applications requires systems that are implemented globally at much higher resolutions, on the order of 1 km, resolutions referred to as hyperresolution in the context of global land surface models. This opinion paper sets forth the needs and benefits for a system that would monitor and predict the Earth's terrestrial water, energy, and biogeochemical cycles. We discuss six major challenges in developing a system: improved representation of surface-subsurface interactions due to fine-scale topography and vegetation; improved representation of land-atmospheric interactions and resulting spatial information on soil moisture and evapotranspiration; inclusion of water quality as part of the biogeochemical cycle; representation of human impacts from water management; utilizing massively parallel computer systems and recent computational advances in solving hyperresolution models that will have up to 109 unknowns; and developing the required in situ and remote sensing global data sets. We deem the development of a global hyperresolution model for monitoring the terrestrial water, energy, and biogeochemical cycles a "grand challenge" to the community, and we call upon the international hydrologic community and the hydrological science support infrastructure to endorse the effort.

The Solar Ultraviolet Environment at the Ocean.

PubMed

Mobley, Curtis D; Diffey, Brian L

2018-05-01

Atmospheric and oceanic radiative transfer models were used to compute spectral radiances between 285 and 400 nm onto horizontal and vertical plane surfaces over water. The calculations kept track of the contributions by the sun's direct beam, by diffuse-sky radiance, by radiance reflected from the sea surface and by water-leaving radiance. Clear, hazy and cloudy sky conditions were simulated for a range of solar zenith angles, wind speeds and atmospheric ozone concentrations. The radiances were used to estimate erythemal exposures due to the sun and sky, as well as from radiation reflected by the sea surface and backscattered from the water column. Diffuse-sky irradiance is usually greater than direct-sun irradiance at wavelengths below 330 nm, and reflected and water-leaving irradiance accounts for <20% of the UV exposure on a vertical surface. Total exposure depends strongly on solar zenith angle and azimuth angle relative to the sun. Sea surface roughness affects the UV exposures by only a few percent. For very clear waters and the sun high in the sky, the UV index within the water can be >10 at depths down to two meters and >6 down to 5 m. © 2018 The American Society of Photobiology.

A novel theoretical probe of the SrTiO3 surface under water-splitting conditions

NASA Astrophysics Data System (ADS)

Letchworth-Weaver, Kendra; Gunceler, Deniz; Arias, Tomás; Plaza, Manuel; Huang, Xin; Brock, Joel; Rodriguez-López, Joaquin; Abruña, Hector

2014-03-01

Understanding the reaction mechanisms required to generate hydrogen fuel by photoelectrolysis of water is essential to energy conversion research. These reaction pathways are strongly influenced by the geometry and electronic structure of the electrode surface under water-splitting conditions. Electrochemical microscopy has demonstrated that biasing a SrTiO3 (001) surface can lead to an increase in water-splitting activity. In operando X-ray reflectivity measurements at the Cornell High Energy Synchrotron Source (CHESS) correlate this increase in activity to a significant reorganization in the surface structure but are unable to determine the exact nature of this change. Joint Density-Functional Theory (JDFT), a rigorous yet computationally efficient alternative to molecular dynamics, provides a quantum-mechanical description of an electrode surface in contact with an aqueous environment, and a microscopically detailed description of the interfacial liquid structure. Our JDFT calculations determine the structure of the activated SrTiO3 surface and explore why it is correlated with higher activity for water splitting. With no empirical parameters whatsoever, we predict the X-ray crystal truncation rods for SrTiO3, finding excellent agreement with experiment. Funded by the Energy Materials Center at Cornell (EMC2).

Thermodynamic properties of water solvating biomolecular surfaces

NASA Astrophysics Data System (ADS)

Heyden, Matthias

Changes in the potential energy and entropy of water molecules hydrating biomolecular interfaces play a significant role for biomolecular solubility and association. Free energy perturbation and thermodynamic integration methods allow calculations of free energy differences between two states from simulations. However, these methods are computationally demanding and do not provide insights into individual thermodynamic contributions, i.e. changes in the solvent energy or entropy. Here, we employ methods to spatially resolve distributions of hydration water thermodynamic properties in the vicinity of biomolecular surfaces. This allows direct insights into thermodynamic signatures of the hydration of hydrophobic and hydrophilic solvent accessible sites of proteins and small molecules and comparisons to ideal model surfaces. We correlate dynamic properties of hydration water molecules, i.e. translational and rotational mobility, to their thermodynamics. The latter can be used as a guide to extract thermodynamic information from experimental measurements of site-resolved water dynamics. Further, we study energy-entropy compensations of water at different hydration sites of biomolecular surfaces. This work is supported by the Cluster of Excellence RESOLV (EXC 1069) funded by the Deutsche Forschungsgemeinschaft.

Evapotranspiration and canopy resistance at an undeveloped prairie in a humid subtropical climate

USGS Publications Warehouse

Bidlake, W.R.

2002-01-01

Reliable estimates of evapotranspiration from areas of wildland vegetation are needed for many types of water-resource investigations. However, little is known about surface fluxes from many areally important vegetation types, and relatively few comparisons have been made to examine how well evapotranspiration models can predict evapotranspiration for soil-, climate-, or vegetation-types that differ from those under which the models have been calibrated. In this investigation at a prairie site in west-central Florida, latent heat flux (??E) computed from the energy balance and alternatively by eddy covariance during a 15-month period differed by 4 percent and 7 percent on hourly and daily time scales, respectively. Annual evapotranspiration computed from the energy balance and by eddy covariance were 978 and 944 mm, respectively. An hourly Penman-Monteith (PM) evapotranspiration model with stomatal control predicated on water-vapor-pressure deficit at canopy level, incoming solar radiation intensity, and soil water deficit was developed and calibrated using surface fluxes from eddy covariance. Model-predicted ??E agreed closely with ??E computed from the energy balance except when moisture from dew or precipitation covered vegetation surfaces. Finally, an hourly PM model developed for an Amazonian pasture predicted ??E for the Florida prairie with unexpected reliability. Additional comparisons of PM-type models that have been developed for differing types of short vegetation could aid in assessing interchangeability of such models.

Design and evaluation of a computer based system to monitor and generalise, by areas, data from ERTS precision imagery tapes

NASA Technical Reports Server (NTRS)

Clayton, K. M. (Principal Investigator)

1975-01-01

The author has identified the following significant results. An objective system for regionalization is described, using ERTS-1 (or LANDSAT) computer compatible tapes. A range of computer programs for analysis of these tapes was developed. Emphasis is on a level of generalization appropriate to a satellite system whith repetitive global coverage. The main variables are land/water ratios and vegetation cover. The scale or texture of the pattern of change in these variables varies a good deal across the earth's surface, and it seems best if the unit of generalization adopted varies in sympathy with the surface being analyzed.

How well Can We Classify SWOT-derived Water Surface Profiles?

NASA Astrophysics Data System (ADS)

Frasson, R. P. M.; Wei, R.; Picamilh, C.; Durand, M. T.

2015-12-01

The upcoming Surface Water Ocean Topography (SWOT) mission will detect water bodies and measure water surface elevation throughout the globe. Within its continental high resolution mask, SWOT is expected to deliver measurements of river width, water elevation and slope of rivers wider than ~50 m. The definition of river reaches is an integral step of the computation of discharge based on SWOT's observables. As poorly defined reaches can negatively affect the accuracy of discharge estimations, we seek strategies to break up rivers into physically meaningful sections. In the present work, we investigate how accurately we can classify water surface profiles based on simulated SWOT observations. We assume that most river sections can be classified as either M1 (mild slope, with depth larger than the normal depth), or A1 (adverse slope with depth larger than the critical depth). This assumption allows the classification to be based solely on the second derivative of water surface profiles, with convex profiles being classified as A1 and concave profiles as M1. We consider a HEC-RAS model of the Sacramento River as a representation of the true state of the river. We employ the SWOT instrument simulator to generate a synthetic pass of the river, which includes our best estimates of height measurement noise and geolocation errors. We process the resulting point cloud of water surface heights with the RiverObs package, which delineates the river center line and draws the water surface profile. Next, we identify inflection points in the water surface profile and classify the sections between the inflection points. Finally, we compare our limited classification of simulated SWOT-derived water surface profile to the "exact" classification of the modeled Sacramento River. With this exercise, we expect to determine if SWOT observations can be used to find inflection points in water surface profiles, which would bring knowledge of flow regimes into the definition of river reaches.

Anomalous water dynamics at surfaces and interfaces: synergistic effects of confinement and surface interactions

NASA Astrophysics Data System (ADS)

Biswas, Rajib; Bagchi, Biman

2018-01-01

In nature, water is often found in contact with surfaces that are extended on the scale of molecule size but small on a macroscopic scale. Examples include lipid bilayers and reverse micelles as well as biomolecules like proteins, DNA and zeolites, to name a few. While the presence of surfaces and interfaces interrupts the continuous hydrogen bond network of liquid water, confinement on a mesoscopic scale introduces new features. Even when extended on a molecular scale, natural and biological surfaces often have features (like charge, hydrophobicity) that vary on the scale of the molecular diameter of water. As a result, many new and exotic features, which are not seen in the bulk, appear in the dynamics of water close to the surface. These different behaviors bear the signature of both water-surface interactions and of confinement. In other words, the altered properties are the result of the synergistic effects of surface-water interactions and confinement. Ultrafast spectroscopy, theoretical modeling and computer simulations together form powerful synergistic approaches towards an understanding of the properties of confined water in such systems as nanocavities, reverse micelles (RMs), water inside and outside biomolecules like proteins and DNA, and also between two hydrophobic walls. We shall review the experimental results and place them in the context of theory and simulations. For water confined within RMs, we discuss the possible interference effects propagating from opposite surfaces. Similar interference is found to give rise to an effective attractive force between two hydrophobic surfaces immersed and kept fixed at a separation of d, with the force showing an exponential dependence on this distance. For protein and DNA hydration, we shall examine a multitude of timescales that arise from frustration effects due to the inherent heterogeneity of these surfaces. We pay particular attention to the role of orientational correlations and modification of the same due to interaction with the surfaces.

Bridge-scour analysis using the water surface profile (WSPRO) model

USGS Publications Warehouse

Mueller, David S.; ,

1993-01-01

A program was developed to extract hydraulic information required for bridge-scour computations, from the Water-Surface Profile computation model (WSPRO). The program is written in compiled BASIC and is menu driven. Using only ground points, the program can compute average ground elevation, cross-sectional area below a specified datum, or create a Drawing Exchange Format (DXF) fie of cross section. Using both ground points ad hydraulic information form the equal-conveyance tubes computed by WSPRO, the program can compute hydraulic parameters at a user-specified station or in a user-specified subsection of the cross section. The program can identify the maximum velocity in a cross section and the velocity and depth at a user-specified station. The program also can identify the maximum velocity in the cross section and the average velocity, average depth, average ground elevation, width perpendicular to the flow, cross-sectional area of flow, and discharge in a subsection of the cross section. This program does not include any help or suggestions as to what data should be extracted; therefore, the used must understand the scour equations and associated variables to the able to extract the proper information from the WSPRO output.

Uncertainty in surface water flood risk modelling

NASA Astrophysics Data System (ADS)

Butler, J. B.; Martin, D. N.; Roberts, E.; Domuah, R.

2009-04-01

Two thirds of the flooding that occurred in the UK during summer 2007 was as a result of surface water (otherwise known as ‘pluvial') rather than river or coastal flooding. In response, the Environment Agency and Interim Pitt Reviews have highlighted the need for surface water risk mapping and warning tools to identify, and prepare for, flooding induced by heavy rainfall events. This need is compounded by the likely increase in rainfall intensities due to climate change. The Association of British Insurers has called for the Environment Agency to commission nationwide flood risk maps showing the relative risk of flooding from all sources. At the wider European scale, the recently-published EC Directive on the assessment and management of flood risks will require Member States to evaluate, map and model flood risk from a variety of sources. As such, there is now a clear and immediate requirement for the development of techniques for assessing and managing surface water flood risk across large areas. This paper describes an approach for integrating rainfall, drainage network and high-resolution topographic data using Flowroute™, a high-resolution flood mapping and modelling platform, to produce deterministic surface water flood risk maps. Information is provided from UK case studies to enable assessment and validation of modelled results using historical flood information and insurance claims data. Flowroute was co-developed with flood scientists at Cambridge University specifically to simulate river dynamics and floodplain inundation in complex, congested urban areas in a highly computationally efficient manner. It utilises high-resolution topographic information to route flows around individual buildings so as to enable the prediction of flood depths, extents, durations and velocities. As such, the model forms an ideal platform for the development of surface water flood risk modelling and mapping capabilities. The 2-dimensional component of Flowroute employs uniform flow formulae (Manning's Equation) to direct flow over the model domain, sourcing water from the channel or sea so as to provide a detailed representation of river and coastal flood risk. The initial development step was to include spatially-distributed rainfall as a new source term within the model domain. This required optimisation to improve computational efficiency, given the ubiquity of ‘wet' cells early on in the simulation. Collaboration with UK water companies has provided detailed drainage information, and from this a simplified representation of the drainage system has been included in the model via the inclusion of sinks and sources of water from the drainage network. This approach has clear advantages relative to a fully coupled method both in terms of reduced input data requirements and computational overhead. Further, given the difficulties associated with obtaining drainage information over large areas, tests were conducted to evaluate uncertainties associated with excluding drainage information and the impact that this has upon flood model predictions. This information can be used, for example, to inform insurance underwriting strategies and loss estimation as well as for emergency response and planning purposes. The Flowroute surface-water flood risk platform enables efficient mapping of areas sensitive to flooding from high-intensity rainfall events due to topography and drainage infrastructure. As such, the technology has widespread potential for use as a risk mapping tool by the UK Environment Agency, European Member States, water authorities, local governments and the insurance industry. Keywords: Surface water flooding, Model Uncertainty, Insurance Underwriting, Flood inundation modelling, Risk mapping.

1DTempPro V2: new features for inferring groundwater/surface-water exchange

USGS Publications Warehouse

Koch, Franklin W.; Voytek, Emily B.; Day-Lewis, Frederick D.; Healy, Richard W.; Briggs, Martin A.; Lane, John W.; Werkema, Dale D.

2016-01-01

A new version of the computer program 1DTempPro extends the original code to include new capabilities for (1) automated parameter estimation, (2) layer heterogeneity, and (3) time-varying specific discharge. The code serves as an interface to the U.S. Geological Survey model VS2DH and supports analysis of vertical one-dimensional temperature profiles under saturated flow conditions to assess groundwater/surface-water exchange and estimate hydraulic conductivity for cases where hydraulic head is known.

The validity of the potential model in predicting the structural, dynamical, thermodynamic properties of the unary and binary mixture of water-alcohol: Methanol-water case

NASA Astrophysics Data System (ADS)

Obeidat, Abdalla; Abu-Ghazleh, Hind

2018-06-01

Two intermolecular potential models of methanol (TraPPE-UA and OPLS-AA) have been used in order to examine their validity in reproducing the selected structural, dynamical, and thermodynamic properties in the unary and binary systems. These two models are combined with two water models (SPC/E and TIP4P). The temperature dependence of density, surface tension, diffusion and structural properties for the unary system has been computed over specific range of temperatures (200-300K). The very good performance of the TraPPE-UA potential model in predicting surface tension, diffusion, structure, and density of the unary system led us to examine its accuracy and performance in its aqueous solution. In the binary system the same properties were examined, using different mole fractions of methanol. The TraPPE-UA model combined with TIP4P-water shows a very good agreement with the experimental results for density and surface tension properties; whereas the OPLS-AA combined with SPCE-water shows a very agreement with experimental results regarding the diffusion coefficients. Two different approaches have been used in calculating the diffusion coefficient in the mixture, namely the Einstein equation (EE) and Green-Kubo (GK) method. Our results show the advantageous of applying GK over EE in reproducing the experimental results and in saving computer time.

Improvements in lake water budget computations using Landsat data

NASA Technical Reports Server (NTRS)

Gervin, J. C.; Shih, S. F.

1979-01-01

A supervised multispectral classification was performed on Landsat data for Lake Okeechobee's extensive littoral zone to provide two types of information. First, the acreage of a given plant species as measured by satellite was combined with a more accurate transpiration rate to give a better estimate of evapotranspiration from the littoral zone. Second, the surface area coupled by plant communities was used to develop a better estimate of the water surface as a function of lake stage. Based on this information, more detailed representations of evapotranspiration and total water surface (and hence total lake volume) were provided to the water balance budget model for lake volume predictions. The model results based on information derived from satellite demonstrated a 94 percent reduction in cumulative lake stage error and a 70 percent reduction in the maximum deviation of the lake stage.

Hydrogeochemical analysis and evaluation of surface water quality of Pratapgarh district, Uttar Pradesh, India

NASA Astrophysics Data System (ADS)

Tiwari, Ashwani Kumar; Singh, Abhay Kumar; Singh, Amit Kumar; Singh, M. P.

2017-07-01

The hydrogeochemical study of surface water in Pratapgarh district has been carried out to assess the major ion chemistry and water quality for drinking and domestic purposes. For this purpose, twenty-five surface water samples were collected from river, ponds and canals and analysed for pH, electrical conductivity, total dissolved solids (TDS), turbidity, hardness, major cations (Ca2+, Mg2+, Na+ and K+), major anions (HCO3 -, F-, Cl-, NO3 -, SO4 2-) and dissolved silica concentration. The analytical results show mildly acidic to alkaline nature of surface water resources of Pratapgarh district. HCO3 - and Cl- are the dominant anions, while cation chemistry is dominated by Na+ and Ca2+. The statistical analysis and data plotted on the Piper diagram reveals that the surface water chemistry is mainly controlled by rock weathering with secondary contributions from agriculture and anthropogenic sources. Ca2+-Mg2+-HCO3 -, Ca2+-Mg2+-Cl- and Na+-HCO3 --Cl- are the dominant hydrogeochemical facies in the surface water of the area. For quality assessment, values of analysed parameters were compared with Indian and WHO water quality standards, which shows that the concentrations of TDS, F-, NO3 -, Na+, Mg2+ and total hardness are exceeding the desirable limits in some water samples. Water Quality Index (WQI) is one of the most effective tools to communicate information on the quality of any water body. The computed WQI values of Pratapgarh district surface water range from 28 to 198 with an average value of 82, and more than half of the study area is under excellent to good category.

Verification and transfer of thermal pollution model. Volume 4: User's manual for three-dimensional rigid-lid model

NASA Technical Reports Server (NTRS)

Lee, S. S.; Nwadike, E. V.; Sinha, S. E.

1982-01-01

The theory of a three dimensional (3-D) mathematical thermal discharge model and a related one dimensional (1-D) model are described. Model verification at two sites, a separate user's manual for each model are included. The 3-D model has two forms: free surface and rigid lid. The former allows a free air/water interface and is suited for significant surface wave heights compared to mean water depth, estuaries and coastal regions. The latter is suited for small surface wave heights compared to depth because surface elevation was removed as a parameter. These models allow computation of time dependent velocity and temperature fields for given initial conditions and time-varying boundary conditions. The free surface model also provides surface height variations with time.

Fast Photon Monte Carlo for Water Cherenkov Detectors

NASA Astrophysics Data System (ADS)

Latorre, Anthony; Seibert, Stanley

2012-03-01

We present Chroma, a high performance optical photon simulation for large particle physics detectors, such as the water Cerenkov far detector option for LBNE. This software takes advantage of the CUDA parallel computing platform to propagate photons using modern graphics processing units. In a computer model of a 200 kiloton water Cerenkov detector with 29,000 photomultiplier tubes, Chroma can propagate 2.5 million photons per second, around 200 times faster than the same simulation with Geant4. Chroma uses a surface based approach to modeling geometry which offers many benefits over a solid based modelling approach which is used in other simulations like Geant4.

Computational investigation of surface freezing in a molecular model of water.

PubMed

Haji-Akbari, Amir; Debenedetti, Pablo G

2017-03-28

Water freezes in a wide variety of low-temperature environments, from meteors and atmospheric clouds to soil and biological cells. In nature, ice usually nucleates at or near interfaces, because homogenous nucleation in the bulk can only be observed at deep supercoolings. Although the effect of proximal surfaces on freezing has been extensively studied, major gaps in understanding remain regarding freezing near vapor-liquid interfaces, with earlier experimental studies being mostly inconclusive. The question of how a vapor-liquid interface affects freezing in its vicinity is therefore still a major open question in ice physics. Here, we address this question computationally by using the forward-flux sampling algorithm to compute the nucleation rate in a freestanding nanofilm of supercooled water. We use the TIP4P/ice force field, one of the best existing molecular models of water, and observe that the nucleation rate in the film increases by seven orders of magnitude with respect to bulk at the same temperature. By analyzing the nucleation pathway, we conclude that freezing in the film initiates not at the surface, but within an interior region where the formation of double-diamond cages (DDCs) is favored in comparison with the bulk. This, in turn, facilitates freezing by favoring the formation of nuclei rich in cubic ice, which, as demonstrated by us earlier, are more likely to grow and overcome the nucleation barrier. The films considered here are ultrathin because their interior regions are not truly bulk-like, due to their subtle structural differences with the bulk.

Computational investigation of surface freezing in a molecular model of water

PubMed Central

Haji-Akbari, Amir; Debenedetti, Pablo G.

2017-01-01

Water freezes in a wide variety of low-temperature environments, from meteors and atmospheric clouds to soil and biological cells. In nature, ice usually nucleates at or near interfaces, because homogenous nucleation in the bulk can only be observed at deep supercoolings. Although the effect of proximal surfaces on freezing has been extensively studied, major gaps in understanding remain regarding freezing near vapor–liquid interfaces, with earlier experimental studies being mostly inconclusive. The question of how a vapor–liquid interface affects freezing in its vicinity is therefore still a major open question in ice physics. Here, we address this question computationally by using the forward-flux sampling algorithm to compute the nucleation rate in a freestanding nanofilm of supercooled water. We use the TIP4P/ice force field, one of the best existing molecular models of water, and observe that the nucleation rate in the film increases by seven orders of magnitude with respect to bulk at the same temperature. By analyzing the nucleation pathway, we conclude that freezing in the film initiates not at the surface, but within an interior region where the formation of double-diamond cages (DDCs) is favored in comparison with the bulk. This, in turn, facilitates freezing by favoring the formation of nuclei rich in cubic ice, which, as demonstrated by us earlier, are more likely to grow and overcome the nucleation barrier. The films considered here are ultrathin because their interior regions are not truly bulk-like, due to their subtle structural differences with the bulk. PMID:28292905

Effects of geometry and chemistry on hydrophobic solvation

PubMed Central

Harris, Robert C.; Pettitt, B. Montgomery

2014-01-01

Inserting an uncharged van der Waals (vdw) cavity into water disrupts the distribution of water and creates attractive dispersion interactions between the solvent and solute. This free-energy change is the hydrophobic solvation energy (ΔGvdw). Frequently, it is assumed to be linear in the solvent-accessible surface area, with a positive surface tension (γ) that is independent of the properties of the molecule. However, we found that γ for a set of alkanes differed from that for four configurations of decaalanine, and γ = −5 was negative for the decaalanines. These findings conflict with the notion that ΔGvdw favors smaller A. We broke ΔGvdw into the free energy required to exclude water from the vdw cavity (ΔGrep) and the free energy of forming the attractive interactions between the solute and solvent (ΔGatt) and found that γ < 0 for the decaalanines because −γatt > γrep and γatt < 0. Additionally, γatt and γrep for the alkanes differed from those for the decaalanines, implying that none of ΔGatt, ΔGrep, and ΔGvdw can be computed with a constant surface tension. We also showed that ΔGatt could not be computed from either the initial or final water distributions, implying that this quantity is more difficult to compute than is sometimes assumed. Finally, we showed that each atom’s contribution to γrep depended on multibody interactions with its surrounding atoms, implying that these contributions are not additive. These findings call into question some hydrophobic models. PMID:25258413

Guidelines and standard procedures for continuous water-quality monitors: Site selection, field operation, calibration, record computation, and reporting

USGS Publications Warehouse

Wagner, Richard J.; Mattraw, Harold C.; Ritz, George F.; Smith, Brett A.

2000-01-01

The U.S. Geological Survey uses continuous water-quality monitors to assess variations in the quality of the Nation's surface water. A common system configuration for data collection is the four-parameter water-quality monitoring system, which collects temperature, specific conductance, dissolved oxygen, and pH data, although systems can be configured to measure other properties such as turbidity or chlorophyll. The sensors that are used to measure these water properties require careful field observation, cleaning, and calibration procedures, as well as thorough procedures for the computation and publication of final records. Data from sensors can be used in conjunction with collected samples and chemical analyses to estimate chemical loads. This report provides guidelines for site-selection considerations, sensor test methods, field procedures, error correction, data computation, and review and publication processes. These procedures have evolved over the past three decades, and the process continues to evolve with newer technologies.

Free-Surface Fluid-Object Interaction for the Large-Scale Computation of Ship Hydrodynamics Phenomena

DTIC Science & Technology

2014-05-21

simulating air-water free -surface flow, fluid-object interaction (FOI), and fluid-structure interaction (FSI) phenomena for complex geometries, and...with no limitations on the motion of the free surface, and with particular emphasis on ship hydrodynamics. The following specific research objectives...were identified for this project: 1) Development of a theoretical framework for free -surface flow, FOI and FSI that is a suitable starting point

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.

Understanding and managing the effects of groundwater pumping on streamflow

USGS Publications Warehouse

Leake, Stanley A.; Barlow, Paul M.

2013-01-01

Groundwater is a critical resource in the United States because it provides drinking water, irrigates crops, supports industry, and is a source of water for rivers, streams, lakes, and springs. Wells that pump water out of aquifers can reduce the amount of groundwater that flows into rivers and streams, which can have detrimental impacts on aquatic ecosystems and the availability of surface water. Estimation of rates, locations, and timing of streamflow depletion due to groundwater pumping is needed for water-resource managers and users throughout the United States, but the complexity of groundwater and surface-water systems and their interactions presents a major challenge. The understanding of streamflow depletion and evaluation of water-management practices have improved during recent years through the use of computer models that simulate aquifer conditions and the effects of pumping groundwater on streams.

DFT simulations of water adsorption and activation on low-index α-Ga2O3 surfaces.

PubMed

Zhou, Xin; Hensen, Emiel J M; van Santen, Rutger A; Li, Can

2014-06-02

Density functional theory (DFT) calculations are used to explore water adsorption and activation on different α-Ga2O3 surfaces, namely (001), (100), (110), and (012). The geometries and binding energies of molecular and dissociative adsorption are studied as a function of coverage. The simulations reveal that dissociative water adsorption on all the studied low-index surfaces are thermodynamically favorable. Analysis of surface energies suggests that the most preferentially exposed surface is (012). The contribution of surface relaxation to the respective surface energies is significant. Calculations of electron local density of states indicate that the electron-energy band gaps for the four investigated surfaces appears to be less related to the difference in coordinative unsaturation of the surface atoms, but rather to changes in the ionicity of the surface chemical bonds. The electrochemical computation is used to investigate the hydrogen evolution reaction (HER) and the oxygen evolution reaction (OER) on α-Ga2O3 surfaces. Our results indicate that the (100) and (110) surfaces, which have low stability, are the most favorable ones for HER and OER, respectively. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Perspective: Surface freezing in water: A nexus of experiments and simulations

NASA Astrophysics Data System (ADS)

Haji-Akbari, Amir; Debenedetti, Pablo G.

2017-08-01

Surface freezing is a phenomenon in which crystallization is enhanced at a vapor-liquid interface. In some systems, such as n-alkanes, this enhancement is dramatic and results in the formation of a crystalline layer at the free interface even at temperatures slightly above the equilibrium bulk freezing temperature. There are, however, systems in which the enhancement is purely kinetic and only involves faster nucleation at or near the interface. The first, thermodynamic, type of surface freezing is easier to confirm in experiments, requiring only the verification of the existence of crystalline order at the interface. The second, kinetic, type of surface freezing is far more difficult to prove experimentally. One material that is suspected of undergoing the second type of surface freezing is liquid water. Despite strong indications that the freezing of liquid water is kinetically enhanced at vapor-liquid interfaces, the findings are far from conclusive, and the topic remains controversial. In this perspective, we present a simple thermodynamic framework to understand conceptually and distinguish these two types of surface freezing. We then briefly survey fifteen years of experimental and computational work aimed at elucidating the surface freezing conundrum in water.

Advanced computational simulations of water waves interacting with wave energy converters

NASA Astrophysics Data System (ADS)

Pathak, Ashish; Freniere, Cole; Raessi, Mehdi

2017-03-01

Wave energy converter (WEC) devices harness the renewable ocean wave energy and convert it into useful forms of energy, e.g. mechanical or electrical. This paper presents an advanced 3D computational framework to study the interaction between water waves and WEC devices. The computational tool solves the full Navier-Stokes equations and considers all important effects impacting the device performance. To enable large-scale simulations in fast turnaround times, the computational solver was developed in an MPI parallel framework. A fast multigrid preconditioned solver is introduced to solve the computationally expensive pressure Poisson equation. The computational solver was applied to two surface-piercing WEC geometries: bottom-hinged cylinder and flap. Their numerically simulated response was validated against experimental data. Additional simulations were conducted to investigate the applicability of Froude scaling in predicting full-scale WEC response from the model experiments.

A simulation-optimization model for effective water resources management in the coastal zone

NASA Astrophysics Data System (ADS)

Spanoudaki, Katerina; Kampanis, Nikolaos

2015-04-01

Coastal areas are the most densely-populated areas in the world. Consequently water demand is high, posing great pressure on fresh water resources. Climatic change and its direct impacts on meteorological variables (e.g. precipitation) and indirect impact on sea level rise, as well as anthropogenic pressures (e.g. groundwater abstraction), are strong drivers causing groundwater salinisation and subsequently affecting coastal wetlands salinity with adverse effects on the corresponding ecosystems. Coastal zones are a difficult hydrologic environment to represent with a mathematical model due to the large number of contributing hydrologic processes and variable-density flow conditions. Simulation of sea level rise and tidal effects on aquifer salinisation and accurate prediction of interactions between coastal waters, groundwater and neighbouring wetlands requires the use of integrated surface water-groundwater mathematical models. In the past few decades several computer codes have been developed to simulate coupled surface and groundwater flow. However, most integrated surface water-groundwater models are based on the assumption of constant fluid density and therefore their applicability to coastal regions is questionable. Thus, most of the existing codes are not well-suited to represent surface water-groundwater interactions in coastal areas. To this end, the 3D integrated surface water-groundwater model IRENE (Spanoudaki et al., 2009; Spanoudaki, 2010) has been modified in order to simulate surface water-groundwater flow and salinity interactions in the coastal zone. IRENE, in its original form, couples the 3D shallow water equations to the equations describing 3D saturated groundwater flow of constant density. A semi-implicit finite difference scheme is used to solve the surface water flow equations, while a fully implicit finite difference scheme is used for the groundwater equations. Pollution interactions are simulated by coupling the advection-diffusion equation describing the fate and transport of contaminants introduced in a 3D turbulent flow field to the partial differential equation describing the fate and transport of contaminants in 3D transient groundwater flow systems. The model has been further developed to include the effects of density variations on surface water and groundwater flow, while the already built-in solute transport capabilities are used to simulate salinity interactions. The refined model is based on the finite volume method using a cell-centred structured grid, providing thus flexibility and accuracy in simulating irregular boundary geometries. For addressing water resources management problems, simulation models are usually externally coupled with optimisation-based management models. However this usually requires a very large number of iterations between the optimisation and simulation models in order to obtain the optimal management solution. As an alternative approach, for improved computational efficiency, an Artificial Neural Network (ANN) is trained as an approximate simulator of IRENE. The trained ANN is then linked to a Genetic Algorithm (GA) based optimisation model for managing salinisation problems in the coastal zone. The linked simulation-optimisation model is applied to a hypothetical study area for performance evaluation. Acknowledgement The work presented in this paper has been funded by the Greek State Scholarships Foundation (IKY), Fellowships of Excellence for Postdoctoral Studies (Siemens Program), 'A simulation-optimization model for assessing the best practices for the protection of surface water and groundwater in the coastal zone', (2013 - 2015). References Spanoudaki, K., Stamou, A.I. and Nanou-Giannarou, A. (2009). Development and verification of a 3-D integrated surface water-groundwater model. Journal of Hydrology, 375 (3-4), 410-427. Spanoudaki, K. (2010). Integrated numerical modelling of surface water groundwater systems (in Greek). Ph.D. Thesis, National Technical University of Athens, Greece.

DITTY - a computer program for calculating population dose integrated over ten thousand years

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

Napier, B.A.; Peloquin, R.A.; Strenge, D.L.

The computer program DITTY (Dose Integrated Over Ten Thousand Years) was developed to determine the collective dose from long term nuclear waste disposal sites resulting from the ground-water pathways. DITTY estimates the time integral of collective dose over a ten-thousand-year period for time-variant radionuclide releases to surface waters, wells, or the atmosphere. This document includes the following information on DITTY: a description of the mathematical models, program designs, data file requirements, input preparation, output interpretations, sample problems, and program-generated diagnostic messages.

Numerical investigation of roughness effects in aircraft icing calculations

NASA Astrophysics Data System (ADS)

Matheis, Brian Daniel

2008-10-01

Icing codes are playing a role of increasing significance in the design and certification of ice protected aircraft surfaces. However, in the interest of computational efficiency certain small scale physics of the icing problem are grossly approximated by the codes. One such small scale phenomena is the effect of ice roughness on the development of the surface water film and on the convective heat transfer. This study uses computational methods to study the potential effect of ice roughness on both of these small scale phenomena. First, a two-dimensional condensed layer code is used to examine the effect of roughness on surface water development. It is found that the Couette approximation within the film breaks down as the wall shear goes to zero, depending on the film thickness. Roughness elements with initial flow separation in the air induce flow separation in the water layer at steady state, causing a trapping of the film. The amount of trapping for different roughness configurations is examined. Second, a three-dimensional incompressible Navier-Stokes code is developed to examine large scale ice roughness on the leading edge. The effect on the convective heat transfer and potential effect on the surface water dynamics is examined for a number of distributed roughness parameters including Reynolds number, roughness height, streamwise extent, roughness spacing and roughness shape. In most cases the roughness field increases the net average convective heat transfer on the leading edge while narrowing surface shear lines, indicating a choking of the surface water flow. Both effects show significant variation on the scale of the ice roughness. Both the change in heat transfer as well as the potential change in surface water dynamics are presented in terms of the development of singularities in the surface shear pattern. Of particular interest is the effect of the smooth zone upstream of the roughness which shows both a relatively large increase in convective heat transfer as well as excessive choking of the surface shear lines at the upstream end of the roughness field. A summary of the heat transfer results is presented for both the averaged heat transfer as well as the maximum heat transfer over each roughness element, indicating that the roughness Reynolds number is the primary parameter which characterizes the behavior of the roughness for the problem of interest.

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

Hammond, Glenn Edward; Bao, J; Huang, M

Hyporheic exchange is a critical mechanism shaping hydrological and biogeochemical processes along a river corridor. Recent studies on quantifying the hyporheic exchange were mostly limited to local scales due to field inaccessibility, computational demand, and complexity of geomorphology and subsurface geology. Surface flow conditions and subsurface physical properties are well known factors on modulating the hyporheic exchange, but quantitative understanding of their impacts on the strength and direction of hyporheic exchanges at reach scales is absent. In this study, a high resolution computational fluid dynamics (CFD) model that couples surface and subsurface flow and transport is employed to simulate hyporheicmore » exchanges in a 7-km long reach along the main-stem of the Columbia River. Assuming that the hyporheic exchange does not affect surface water flow conditions due to its negligible magnitude compared to the volume and velocity of river water, we developed a one-way coupled surface and subsurface water flow model using the commercial CFD software STAR-CCM+. The model integrates the Reynolds-averaged Navier-Stokes (RANS) equation solver with a realizable κ-ε two-layer turbulence model, a two-layer all y + wall treatment, and the volume of fluid (VOF) method, and is used to simulate hyporheic exchanges by tracking the free water-air interface as well as flow in the river and the subsurface porous media. The model is validated against measurements from acoustic Doppler current profiler (ADCP) in the stream water and hyporheic fluxes derived from a set of temperature profilers installed across the riverbed. The validated model is then employed to systematically investigate how hyporheic exchanges are influenced by surface water fluid dynamics strongly regulated by upstream dam operations, as well as subsurface structures (e.g. thickness of riverbed and subsurface formation layers) and hydrogeological properties (e.g. permeability). The results suggest that the thickness of riverbed alluvium layer is the dominant factor for reach-scale hyporheic exchanges, followed by the alluvium permeability, the depth of the underlying impermeable layer, and the assumption of hydrostatic pressure.« less

A Computational Study of Vocal Fold Dehydration During Phonation.

PubMed

Wu, Liang; Zhang, Zhaoyan

2017-12-01

While vocal fold dehydration is often considered an important factor contributing to vocal fatigue, it still remains unclear whether vocal fold vibration alone is able to induce severe dehydration that has a noticeable effect on phonation and perceived vocal effort. A three-dimensional model was developed to investigate vocal fold systemic dehydration and surface dehydration during phonation. Based on the linear poroelastic theory, the model considered water resupply from blood vessels through the lateral boundary, water movement within the vocal folds, water exchange between the vocal folds and the surface liquid layer through the epithelium, and surface fluid accumulation and discharge to the glottal airway. Parametric studies were conducted to investigate water loss within the vocal folds and from the surface after a 5-min sustained phonation under different permeability and vibration conditions. The results showed that the dehydration generally increased with increasing vibration amplitude, increasing epithelial permeability, and reduced water resupply. With adequate water resupply, a large-amplitude vibration can induce an overall systemic dehydration as high as 3%. The distribution of water loss within the vocal folds was non-uniform, and a local dehydration higher than 5% was observed even under conditions of a low overall systemic dehydration (<1%). Such high level of water loss may severely affect tissue properties, muscular functions, and phonations characteristics. In contrast, water loss of the surface liquid layer was generally an order of magnitude higher than water loss inside the vocal folds, indicating that the surface dehydration level is likely not a good indicator of the systemic dehydration.

Underwater refraction-polarization patterns of skylight perceived by aquatic animals through Snell's window of the flat water surface.

PubMed

Horváth, G; Varjú, D

1995-06-01

The grass shrimp (Palaemonetes vulgaris) orients itself by means of the polarization pattern of the sky visible through Snell's window of the water surface. The celestial polarization pattern viewed from water is distorted and modified because of refraction and repolarization of skylight at the air-water interface. This work provides a quantitative account of the repolarization of skylight transmitted through a flat water surface. The degree and direction of linear polarization, the transmissivity and the shape of the refraction-polarization oval are calculated at the air-water interface as functions of the polarization characteristics and the incident angle of partially linearly polarized incoming light. Two-dimensional patterns of linear polarization ellipses and of the degree and direction of polarization of skylight are presented for different zenith distances of the sun. The corresponding underwater refraction-polarization patterns are computed. Transmissivity patterns of a flat water surface are calculated for unpolarized light of an overcast sky and for partially polarized light of clear skies as a function of the zenith distance of the sun. The role of these refraction-polarization patterns in orientation and polarization vision of the grass shrimp (P. vulgaris) and rainbow trout (Oncorhyncus mykiss) is reviewed. The effects of cloud cover, surface waves and water turbidity on the refraction-polarization patterns are briefly discussed.

Guidelines and standard procedures for continuous water-quality monitors: Station operation, record computation, and data reporting

USGS Publications Warehouse

Wagner, Richard J.; Boulger, Robert W.; Oblinger, Carolyn J.; Smith, Brett A.

2006-01-01

The U.S. Geological Survey uses continuous water-quality monitors to assess the quality of the Nation's surface water. A common monitoring-system configuration for water-quality data collection is the four-parameter monitoring system, which collects temperature, specific conductance, dissolved oxygen, and pH data. Such systems also can be configured to measure other properties, such as turbidity or fluorescence. Data from sensors can be used in conjunction with chemical analyses of samples to estimate chemical loads. The sensors that are used to measure water-quality field parameters require careful field observation, cleaning, and calibration procedures, as well as thorough procedures for the computation and publication of final records. This report provides guidelines for site- and monitor-selection considerations; sensor inspection and calibration methods; field procedures; data evaluation, correction, and computation; and record-review and data-reporting processes, which supersede the guidelines presented previously in U.S. Geological Survey Water-Resources Investigations Report WRIR 00-4252. These procedures have evolved over the past three decades, and the process continues to evolve with newer technologies.

Theory of hydrophobicity: transient cavities in molecular liquids

NASA Technical Reports Server (NTRS)

Pratt, L. R.; Pohorille, A.

1992-01-01

Observation of the size distribution of transient cavities in computer simulations of water, n-hexane, and n-dodecane under benchtop conditions shows that the sizes of cavities are more sharply defined in liquid water but the most-probable-size cavities are about the same size in each of these liquids. The calculated solvent atomic density in contact with these cavities shows that water applies more force per unit area of cavity surface than do the hydrocarbon liquids. This contact density, or "squeezing" force, reaches a maximum near cavity diameters of 2.4 angstroms. The results for liquid water are compared to the predictions of simple theories and, in addition, to results for a reference simple liquid. The numerical data for water at a range of temperatures are analyzed to extract a surface free energy contribution to the work of formation of atomic-size cavities. Comparison with the liquid-vapor interfacial tensions of the model liquids studied here indicates that the surface free energies extracted for atomic-size cavities cannot be accurately identified with the macroscopic surface tensions of the systems.

Theory of hydrophobicity: Transient cavities in molecular liquids

PubMed Central

Pratt, Lawrence R.; Pohorille, Andrew

1992-01-01

Observation of the size distribution of transient cavities in computer simulations of water, n-hexane, and n-dodecane under benchtop conditions shows that the sizes of cavities are more sharply defined in liquid water but the most-probable-size cavities are about the same size in each of these liquids. The calculated solvent atomic density in contact with these cavities shows that water applies more force per unit area of cavity surface than do the hydrocarbon liquids. This contact density, or “squeezing” force, reaches a maximum near cavity diameters of 2.4 Å. The results for liquid water are compared to the predictions of simple theories and, in addition, to results for a reference simple liquid. The numerical data for water at a range of temperatures are analyzed to extract a surface free energy contribution to the work of formation of atomic-size cavities. Comparison with the liquid-vapor interfacial tensions of the model liquids studies here indicates that the surface free energies extracted for atomic-size cavities cannot be accurately identified with the macroscopic surface tensions of the systems. PMID:11537863

Ground-water-level monitoring, basin boundaries, and potentiometric surfaces of the aquifer system at Edwards Air Force Base, California, 1992

USGS Publications Warehouse

Rewis, D.L.

1995-01-01

A ground-water-level monitoring program was implemented at Edwards Air Force Base, California, from January through December 1992 to monitor spatial and temporal changes in poten-tiometric surfaces that largely are affected by ground-water pumping. Potentiometric-surface maps are needed to determine the correlation between declining ground- water levels and the distribution of land subsidence. The monitoring program focused on areas of the base where pumping has occurred, especially near Rogers Lake, and involved three phases of data collection: (1) well canvassing and selection, (2) geodetic surveys, and (3) monthly ground-water-level measurements. Construction and historical water- level data were compiled for 118 wells and pi-ezometers on or near the base, and monthly ground-water-level measurements were made in 82 wells and piezometers on the base. The compiled water-level data were used in conjunction with previously collected geologic data to identify three types of no-flow boundaries in the aquifer system: structural boundaries, a principal-aquifer boundary, and ground-water divides. Heads were computed from ground-water-level measurements and land-surface altitudes and then were used to map seasonal potentiometric surfaces for the principal and deep aquifers underlying the base. Pumping has created a regional depression in the potentiometric surface of the deep aquifer in the South Track, South Base, and Branch Park well-field area. A 15-foot decline in the potentiometric surface from April to September 1992 and 20- to 30-foot drawdowns in the three production wells in the South Track well field caused locally unconfined conditions in the deep aquifer.

Sea surface determination from space: The GSFC geoid

NASA Technical Reports Server (NTRS)

Vonbun, F. O.; Mcgoogan, J.; Marsh, J.; Lerch, F. J.

1975-01-01

The determination of the sea surface/geoid and its relative variation were investigated and results of the altimeter experiment on Skylab to test the geoid are discussed. The spaceborne altimeter on Skylab revealed that the sea surface of the world's oceans can be measured with an accuracy in the meter range. Surface variations are discussed as they relate to those computed from satellite orbital dynamics and ground based gravity data. The GSFC geoid was constructed from about 400,000 satellite tracking data (range, range rate, angles) and about 20,000 ground gravity observations. One of the last experiments on Skylab was to measure and/or test this geoid over almost one orbit. It was found that the computed water surface deviates between 5 to 20 m from the measured one. Further outlined are the influence of orbital errors on the sea surface, and numerical examples are given based upon real tracking data. Orbital height error estimates were computed for geodetic type satellites and are found to be in the order of 0.2 to 5 meters.

Assessment of Seasonal Water Balance Components over India Using Macroscale Hydrological Model

NASA Astrophysics Data System (ADS)

Joshi, S.; Raju, P. V.; Hakeem, K. A.; Rao, V. V.; Yadav, A.; Issac, A. M.; Diwakar, P. G.; Dadhwal, V. K.

2016-12-01

Hydrological models provide water balance components which are useful for water resources assessment and for capturing the seasonal changes and impact of anthropogenic interventions and climate change. The study under description is a national level modeling framework for country India using wide range of geo-spatial and hydro-meteorological data sets for estimating daily Water Balance Components (WBCs) at 0.15º grid resolution using Variable Infiltration Capacity model. The model parameters were optimized through calibration of model computed stream flow with field observed yielding Nash-Sutcliffe efficiency between 0.5 to 0.7. The state variables, evapotranspiration (ET) and soil moisture were also validated, obtaining R2 values of 0.57 and 0.69, respectively. Using long-term meteorological data sets, model computation were carried to capture hydrological extremities. During 2013, 2014 and 2015 monsoon seasons, WBCs were estimated and were published in web portal with 2-day time lag. In occurrence of disaster events, weather forecast was ingested, high surface runoff zones were identified for forewarning and disaster preparedness. Cumulative monsoon season rainfall of 2013, 2014 and 2015 were 105, 89 and 91% of long period average (LPA) respectively (Source: India Meteorological Department). Analysis of WBCs indicated that corresponding seasonal surface runoff was 116, 81 and 86% LPA and evapotranspiration was 109, 104 and 90% LPA. Using the grid-wise data, the spatial variation in WBCs among river basins/administrative regions was derived to capture the changes in surface runoff, ET between the years and in comparison with LPA. The model framework is operational and is providing periodic account of national level water balance fluxes which are useful for quantifying spatial and temporal variation in basin/sub-basin scale water resources, periodical water budgeting to form vital inputs for studies on water resources and climate change.

Atmospheric radiation model for water surfaces

NASA Technical Reports Server (NTRS)

Turner, R. E.; Gaskill, D. W.; Lierzer, J. R.

1982-01-01

An atmospheric correction model was extended to account for various atmospheric radiation components in remotely sensed data. Components such as the atmospheric path radiance which results from singly scattered sky radiation specularly reflected by the water surface are considered. A component which is referred to as the virtual Sun path radiance, i.e. the singly scattered path radiance which results from the solar radiation which is specularly reflected by the water surface is also considered. These atmospheric radiation components are coded into a computer program for the analysis of multispectral remote sensor data over the Great Lakes of the United States. The user must know certain parameters, such as the visibility or spectral optical thickness of the atmosphere and the geometry of the sensor with respect to the Sun and the target elements under investigation.

Study of lysozyme mobility and binding free energy during adsorption on a graphene surface

NASA Astrophysics Data System (ADS)

Nakano, C. Masato; Ma, Heng; Wei, Tao

2015-04-01

Understanding protein adsorption is a key to the development of biosensors and anti-biofouling materials. Hydration essentially controls the adsorption process on hydrophobic surfaces, but its effect is complicated by various factors. Here, we present an ideal model system to isolate hydration effects—lysozyme adsorption on a flat hydrophobic graphene surface. Our all-atom molecular dynamics and molecular-mechanics/Poisson-Boltzmann surface area computation study reveal that lysozyme on graphene displays much larger diffusivity than in bulk water. Protein's hydration free energy within the first hydration shell is dominated by the protein-water electrostatic interactions and acts as an energy barrier for protein adsorption. On the other hand, the surface tension, especially that from the hydrophobic graphene, can effectively weaken the barrier to promote adsorption.

Surface Protonation at the Rutile (110) Interface: Explicit Incorporation of Solvation Structure within the Refined MUSIC Model Framework

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

Machesky, Michael L.; Predota, M.; Wesolowski, David J

The detailed solvation structure at the (110) surface of rutile ({alpha}-TiO{sub 2}) in contact with bulk liquid water has been obtained primarily from experimentally verified classical molecular dynamics (CMD) simulations of the ab initio-optimized surface in contact with SPC/E water. The results are used to explicitly quantify H-bonding interactions, which are then used within the refined MUSIC model framework to predict surface oxygen protonation constants. Quantum mechanical molecular dynamics (QMD) simulations in the presence of freely dissociable water molecules produced H-bond distributions around deprotonated surface oxygens very similar to those obtained by CMD with nondissociable SPC/E water, thereby confirming thatmore » the less computationally intensive CMD simulations provide accurate H-bond information. Utilizing this H-bond information within the refined MUSIC model, along with manually adjusted Ti-O surface bond lengths that are nonetheless within 0.05 {angstrom} of those obtained from static density functional theory (DFT) calculations and measured in X-ray reflectivity experiments (as well as bulk crystal values), give surface protonation constants that result in a calculated zero net proton charge pH value (pHznpc) at 25 C that agrees quantitatively with the experimentally determined value (5.4 {+-} 0.2) for a specific rutile powder dominated by the (110) crystal face. Moreover, the predicted pH{sub znpc} values agree to within 0.1 pH unit with those measured at all temperatures between 10 and 250 C. A slightly smaller manual adjustment of the DFT-derived Ti-O surface bond lengths was sufficient to bring the predicted pH{sub znpc} value of the rutile (110) surface at 25 C into quantitative agreement with the experimental value (4.8 {+-} 0.3) obtained from a polished and annealed rutile (110) single crystal surface in contact with dilute sodium nitrate solutions using second harmonic generation (SHG) intensity measurements as a function of ionic strength. Additionally, the H-bond interactions between protolyzable surface oxygen groups and water were found to be stronger than those between bulk water molecules at all temperatures investigated in our CMD simulations (25, 150 and 250 C). Comparison with the protonation scheme previously determined for the (110) surface of isostructural cassiterite ({alpha}-SnO{sub 2}) reveals that the greater extent of H-bonding on the latter surface, and in particular between water and the terminal hydroxyl group (Sn-OH) results in the predicted protonation constant for that group being lower than for the bridged oxygen (Sn-O-Sn), while the reverse is true for the rutile (110) surface. These results demonstrate the importance of H-bond structure in dictating surface protonation behavior, and that explicit use of this solvation structure within the refined MUSIC model framework results in predicted surface protonation constants that are also consistent with a variety of other experimental and computational data.« less

Surface protonation at the rutile (110) interface: explicit incorporation of solvation structure within the refined MUSIC model framework.

PubMed

Machesky, Michael L; Predota, Milan; Wesolowski, David J; Vlcek, Lukas; Cummings, Peter T; Rosenqvist, Jörgen; Ridley, Moira K; Kubicki, James D; Bandura, Andrei V; Kumar, Nitin; Sofo, Jorge O

2008-11-04

The detailed solvation structure at the (110) surface of rutile (alpha-TiO2) in contact with bulk liquid water has been obtained primarily from experimentally verified classical molecular dynamics (CMD) simulations of the ab initio-optimized surface in contact with SPC/E water. The results are used to explicitly quantify H-bonding interactions, which are then used within the refined MUSIC model framework to predict surface oxygen protonation constants. Quantum mechanical molecular dynamics (QMD) simulations in the presence of freely dissociable water molecules produced H-bond distributions around deprotonated surface oxygens very similar to those obtained by CMD with nondissociable SPC/E water, thereby confirming that the less computationally intensive CMD simulations provide accurate H-bond information. Utilizing this H-bond information within the refined MUSIC model, along with manually adjusted Ti-O surface bond lengths that are nonetheless within 0.05 A of those obtained from static density functional theory (DFT) calculations and measured in X-ray reflectivity experiments (as well as bulk crystal values), give surface protonation constants that result in a calculated zero net proton charge pH value (pHznpc) at 25 degrees C that agrees quantitatively with the experimentally determined value (5.4+/-0.2) for a specific rutile powder dominated by the (110) crystal face. Moreover, the predicted pHznpc values agree to within 0.1 pH unit with those measured at all temperatures between 10 and 250 degrees C. A slightly smaller manual adjustment of the DFT-derived Ti-O surface bond lengths was sufficient to bring the predicted pHznpcvalue of the rutile (110) surface at 25 degrees C into quantitative agreement with the experimental value (4.8+/-0.3) obtained from a polished and annealed rutile (110) single crystal surface in contact with dilute sodium nitrate solutions using second harmonic generation (SHG) intensity measurements as a function of ionic strength. Additionally, the H-bond interactions between protolyzable surface oxygen groups and water were found to be stronger than those between bulk water molecules at all temperatures investigated in our CMD simulations (25, 150 and 250 degrees C). Comparison with the protonation scheme previously determined for the (110) surface of isostructural cassiterite (alpha-SnO2) reveals that the greater extent of H-bonding on the latter surface, and in particular between water and the terminal hydroxyl group (Sn-OH) results in the predicted protonation constant for that group being lower than for the bridged oxygen (Sn-O-Sn), while the reverse is true for the rutile (110) surface. These results demonstrate the importance of H-bond structure in dictating surface protonation behavior, and that explicit use of this solvation structure within the refined MUSIC model framework results in predicted surface protonation constants that are also consistent with a variety of other experimental and computational data.

Hydrology, description of computer models, and evaluation of selected water-management alternatives in the San Bernardino area, California

USGS Publications Warehouse

Danskin, Wesley R.; McPherson, Kelly R.; Woolfenden, Linda R.

2006-01-01

The San Bernardino area of southern California has complex water-management issues. As an aid to local water managers, this report provides an integrated analysis of the surface-water and ground-water systems, documents ground-water flow and constrained optimization models, and provides seven examples using the models to better understand and manage water resources of the area. As an aid to investigators and water managers in other areas, this report provides an expanded description of constrained optimization techniques and how to use them to better understand the local hydrogeology and to evaluate inter-related water-management problems. In this report, the hydrology of the San Bernardino area, defined as the Bunker Hill and Lytle Creek basins, is described and quantified for calendar years 1945-98. The major components of the surface-water system are identified, and a routing diagram of flow through these components is provided. Annual surface-water inflow and outflow for the area are tabulated using gaged measurements and estimated values derived from linear-regression equations. Average inflow for the 54-year period (1945-98) was 146,452 acre-feet per year; average outflow was 67,931 acre-feet per year. The probability of exceedance for annual surface-water inflow is calculated using a Log Pearson Type III analysis. Cumulative surface-water inflow and outflow and ground-water-level measurements indicate that the relation between the surface-water system and the ground-water system changed in about 1951, in about 1979, and again in about 1992. Higher ground-water levels prior to 1951 and between 1979 and 1992 induced ground-water discharge to Warm Creek. This discharge was quantified using streamflow measurements and can be estimated for other time periods using ground-water levels from a monitoring well (1S/4W-3Q1) and a logarithmic-regression equation. Annual wastewater discharge from the area is tabulated for the major sewage and power-plant facilities. More...

Standards for the Analysis and Processing of Surface-Water Data and Information Using Electronic Methods

USGS Publications Warehouse

Sauer, Vernon B.

2002-01-01

Surface-water computation methods and procedures are described in this report to provide standards from which a completely automated electronic processing system can be developed. To the greatest extent possible, the traditional U. S. Geological Survey (USGS) methodology and standards for streamflow data collection and analysis have been incorporated into these standards. Although USGS methodology and standards are the basis for this report, the report is applicable to other organizations doing similar work. The proposed electronic processing system allows field measurement data, including data stored on automatic field recording devices and data recorded by the field hydrographer (a person who collects streamflow and other surface-water data) in electronic field notebooks, to be input easily and automatically. A user of the electronic processing system easily can monitor the incoming data and verify and edit the data, if necessary. Input of the computational procedures, rating curves, shift requirements, and other special methods are interactive processes between the user and the electronic processing system, with much of this processing being automatic. Special computation procedures are provided for complex stations such as velocity-index, slope, control structures, and unsteady-flow models, such as the Branch-Network Dynamic Flow Model (BRANCH). Navigation paths are designed to lead the user through the computational steps for each type of gaging station (stage-only, stagedischarge, velocity-index, slope, rate-of-change in stage, reservoir, tide, structure, and hydraulic model stations). The proposed electronic processing system emphasizes the use of interactive graphics to provide good visual tools for unit values editing, rating curve and shift analysis, hydrograph comparisons, data-estimation procedures, data review, and other needs. Documentation, review, finalization, and publication of records are provided for with the electronic processing system, as well as archiving, quality assurance, and quality control.

An integrated theoretical and experimental investigation of insensitive munition compounds adsorption on cellulose, cellulose triacetate, chitin and chitosan surfaces.

PubMed

Gurtowski, Luke A; Griggs, Chris S; Gude, Veera G; Shukla, Manoj K

2018-02-01

This manuscript reports results of combined computational chemistry and batch adsorption investigation of insensitive munition compounds, 2,4-dinitroanisole (DNAN), triaminotrinitrobenzene (TATB), 1,1-diamino-2,2-dinitroethene (FOX-7) and nitroguanidine (NQ), and traditional munition compound 2,4,6-trinitrotoluene (TNT) on the surfaces of cellulose, cellulose triacetate, chitin and chitosan biopolymers. Cellulose, cellulose triacetate, chitin and chitosan were modeled as trimeric form of the linear chain of 4 C 1 chair conformation of β-d-glucopyranos, its triacetate form, β-N-acetylglucosamine and D-glucosamine, respectively, in the 1➔4 linkage. Geometries were optimized at the M062X functional level of the density functional theory (DFT) using the 6-31G(d,p) basis set in the gas phase and in the bulk water solution using the conductor-like polarizable continuum model (CPCM) approach. The nature of potential energy surfaces of the optimized geometries were ascertained through the harmonic vibrational frequency analysis. The basis set superposition error (BSSE) corrected interaction energies were obtained using the 6-311G(d,p) basis set at the same theoretical level. The computed BSSE in the gas phase was used to correct interaction energy in the bulk water solution. Computed and experimental results regarding the ability of considered surfaces in adsorbing the insensitive munitions compounds are discussed. Copyright © 2017. Published by Elsevier B.V.

Effects of Atmospheric Water and Surface Wind on Passive Microwave Retrievals of Sea Ice Concentration: a Simulation Study

NASA Astrophysics Data System (ADS)

Shin, D.; Chiu, L. S.; Clemente-Colon, P.

2006-05-01

The atmospheric effects on the retrieval of sea ice concentration from passive microwave sensors are examined using simulated data typical for the Arctic summer. The simulation includes atmospheric contributions of cloud liquid water, water vapor and surface wind on the microwave signatures. A plane parallel radiative transfer model is used to compute brightness temperatures at SSM/I frequencies over surfaces that contain open water, first-year (FY) ice and multi-year (MY) ice and their combinations. Synthetic retrievals in this study use the NASA Team (NT) algorithm for the estimation of sea ice concentrations. This study shows that if the satellite sensor's field of view is filled with only FY ice the retrieval is not much affected by the atmospheric conditions due to the high contrast between emission signals from FY ice surface and the signals from the atmosphere. Pure MY ice concentration is generally underestimated due to the low MY ice surface emissivity that results in the enhancement of emission signals from the atmospheric parameters. Simulation results in marginal ice areas also show that the atmospheric effects from cloud liquid water, water vapor and surface wind tend to degrade the accuracy at low sea ice concentration. FY ice concentration is overestimated and MY ice concentration is underestimated in the presence of atmospheric water and surface wind at low ice concentration. This compensating effect reduces the retrieval uncertainties of total (FY and MY) ice concentration. Over marginal ice zones, our results suggest that strong surface wind is more important than atmospheric water in contributing to the retrieval errors of total ice concentrations in the normal ranges of these variables.

Application of aerial photography to water-related programs in Michigan

NASA Technical Reports Server (NTRS)

Enslin, W. R.; Hill-Rowley, R.; Tilmann, S. E.

1977-01-01

Aerial photography and information system technology were used to generate information required for the effective operation of three water-related programs in Michigan. Potential mosquito breeding sites were identified from specially acquired low altitude 70 mm color photography for the city of Lansing; the inventory identified 35% more surface water areas than indicated on existing field maps. A comprehensive inventory of surface water sources and potential access sites was prepared to assist fire departments in Antrim County with fire truck water-recharge operations. Remotely-sensed land cover/use data for Windsor Township, Eaton County, were integrated with other resource data into a computer-based information system for regional water quality studies. Eleven thematic maps focusing on landscape features affecting non-point water pollution and waste disposal were generated from analyses of a four-hectare grid-based data file containing land cover/use, soils, topographic and geologic (well-log) data.

Using WEED to simulate the global wetland distribution in a ESM

NASA Astrophysics Data System (ADS)

Stacke, Tobias; Hagemann, Stefan

2016-04-01

Lakes and wetlands are an important land surface feature. In terms of hydrology, they regulate river discharge, mitigate flood events and constitute a significant surface water storage. Considering physical processes, they link the surface water and energy balances by altering the separation of incoming energy into sensible and latent heat fluxes. Finally, they impact biogeochemical processes and may act as carbon sinks or sources. Most global hydrology and climate models regard wetland extent and properties as constant in time. However, to study interactions between wetlands and different states of climate, it is necessary to implement surface water bodies (thereafter referred to as wetlands) with dynamical behavior into these models. Besides an improved representation of geophysical feedbacks between wetlands, land surface and atmosphere, a dynamical wetland scheme could also provide estimates of soil wetness as input for biogeochemical models, which are used to compute methane production in wetlands. Recently, a model for the representation of wetland extent dynamics (WEED) was developed as part of the hydrology model (MPI-HM) of the Max-Planck-Institute for Meteorology (MPI-M). The WEED scheme computes wetland extent in agreement with the range of observations for the high northern latitudes. It simulates a realistic seasonal cycle which shows sensitivity to northern snow-melt as well as rainy seasons in the tropics. Furthermore, flood peaks in river discharge are mitigated. However, the WEED scheme overestimates wetland extent in the Tropics which might be related to the MPI-HM's simplified potential evapotranspiration computation. In order to overcome this limitation, the WEED scheme is implemented into the MPI-M's land surface model JSBACH. Thus, not only its effect on water fluxes can be investigated but also its impact on the energy cycle, which is not included in the MPI-HM. Furthermore, it will be possible to analyze the physical effects of wetlands in a coupled land-atmosphere simulation. First simulations with JSBACH-WEED show results similar to the MPI-HM simulations. As the next step, the scheme is modified to account for energy cycle relevant issues such as the dynamical alteration of surface albedo as well as the allocation of appropriate thermal properties to the wetlands. In our presentation, we will give an overview on the functionality of the WEED scheme and the effect of wetlands in coupled land-atmosphere simulations.

Surface Adsorption in Nonpolarizable Atomic Models.

PubMed

Whitmer, Jonathan K; Joshi, Abhijeet A; Carlton, Rebecca J; Abbott, Nicholas L; de Pablo, Juan J

2014-12-09

Many ionic solutions exhibit species-dependent properties, including surface tension and the salting-out of proteins. These effects may be loosely quantified in terms of the Hofmeister series, first identified in the context of protein solubility. Here, our interest is to develop atomistic models capable of capturing Hofmeister effects rigorously. Importantly, we aim to capture this dependence in computationally cheap "hard" ionic models, which do not exhibit dynamic polarization. To do this, we have performed an investigation detailing the effects of the water model on these properties. Though incredibly important, the role of water models in simulation of ionic solutions and biological systems is essentially unexplored. We quantify this via the ion-dependent surface attraction of the halide series (Cl, Br, I) and, in so doing, determine the relative importance of various hypothesized contributions to ionic surface free energies. Importantly, we demonstrate surface adsorption can result in hard ionic models combined with a thermodynamically accurate representation of the water molecule (TIP4Q). The effect observed in simulations of iodide is commensurate with previous calculations of the surface potential of mean force in rigid molecular dynamics and polarizable density-functional models. Our calculations are direct simulation evidence of the subtle but sensitive role of water thermodynamics in atomistic simulations.

1DTempPro: analyzing temperature profiles for groundwater/surface-water exchange

USGS Publications Warehouse

Voytek, Emily B.; Drenkelfuss, Anja; Day-Lewis, Frederick D.; Healy, Richard; Lane, John W.; Werkema, Dale D.

2014-01-01

A new computer program, 1DTempPro, is presented for the analysis of vertical one-dimensional (1D) temperature profiles under saturated flow conditions. 1DTempPro is a graphical user interface to the U.S. Geological Survey code Variably Saturated 2-Dimensional Heat Transport (VS2DH), which numerically solves the flow and heat-transport equations. Pre- and postprocessor features allow the user to calibrate VS2DH models to estimate vertical groundwater/surface-water exchange and also hydraulic conductivity for cases where hydraulic head is known.

A (2+1)-dimensional Korteweg-de Vries type equation in water waves: Lie symmetry analysis; multiple exp-function method; conservation laws

NASA Astrophysics Data System (ADS)

Adem, Abdullahi Rashid

2016-05-01

We consider a (2+1)-dimensional Korteweg-de Vries type equation which models the shallow-water waves, surface and internal waves. In the analysis, we use the Lie symmetry method and the multiple exp-function method. Furthermore, conservation laws are computed using the multiplier method.

Computation of stress on the surface of a soft homogeneous arbitrarily shaped particle.

PubMed

Yang, Minglin; Ren, Kuan Fang; Wu, Yueqian; Sheng, Xinqing

2014-04-01

Prediction of the stress on the surface of an arbitrarily shaped particle of soft material is essential in the study of elastic properties of the particles with optical force. It is also necessary in the manipulation and sorting of small particles with optical tweezers, since a regular-shaped particle, such as a sphere, may be deformed under the nonuniform optical stress on its surface. The stress profile on a spherical or small spheroidal soft particle trapped by shaped beams has been studied, however little work on computing the surface stress of an irregular-shaped particle has been reported. We apply in this paper the surface integral equation with multilevel fast multipole algorithm to compute the surface stress on soft homogeneous arbitrarily shaped particles. The comparison of the computed stress profile with that predicted by the generalized Lorenz-Mie theory for a water droplet of diameter equal to 51 wavelengths in a focused Gaussian beam show that the precision of our method is very good. Then stress profiles on spheroids with different aspect ratios are computed. The particles are illuminated by a Gaussian beam of different waist radius at different incidences. Physical analysis on the mechanism of optical stress is given with help of our recently developed vectorial complex ray model. It is found that the maximum of the stress profile on the surface of prolate spheroids is not only determined by the reflected and refracted rays (orders p=0,1) but also the rays undergoing one or two internal reflections where they focus. Computational study of stress on surface of a biconcave cell-like particle, which is a typical application in life science, is also undertaken.

A Numerical Study of Currents, Water Surface Elevations, and Energy Dissipation in Chandeleur-Breton Sound, Louisiana.

DTIC Science & Technology

1978-02-01

Numerical methods in the form of a digital computer model were used to simulate and study the tide- and wind-induced circulation in Chandeleur -Breton...entrances through the Chandeleur Island chain, where speed reaches 50-60 cm/sec for short periods. Surface elevations were found to have an average tide range

Surface models for coupled modelling of runoff and sewer flow in urban areas.

PubMed

Ettrich, N; Steiner, K; Thomas, M; Rothe, R

2005-01-01

Traditional methods fail for the purpose of simulating the complete flow process in urban areas as a consequence of heavy rainfall and as required by the European Standard EN-752 since the bi-directional coupling between sewer and surface is not properly handled. The new methodology, developed in the EUREKA-project RisUrSim, solves this problem by carrying out the runoff on the basis of shallow water equations solved on high-resolution surface grids. Exchange nodes between the sewer and the surface, like inlets and manholes, are located in the computational grid and water leaving the sewer in case of surcharge is further distributed on the surface. Dense topographical information is needed to build a model suitable for hydrodynamic runoff calculations; in urban areas, in addition, many line-shaped elements like houses, curbs, etc. guide the runoff of water and require polygonal input. Airborne data collection methods offer a great chance to economically gather densely sampled input data.

Development of a classical force field for the oxidized Si surface: application to hydrophilic wafer bonding.

PubMed

Cole, Daniel J; Payne, Mike C; Csányi, Gábor; Spearing, S Mark; Colombi Ciacchi, Lucio

2007-11-28

We have developed a classical two- and three-body interaction potential to simulate the hydroxylated, natively oxidized Si surface in contact with water solutions, based on the combination and extension of the Stillinger-Weber potential and of a potential originally developed to simulate SiO(2) polymorphs. The potential parameters are chosen to reproduce the structure, charge distribution, tensile surface stress, and interactions with single water molecules of a natively oxidized Si surface model previously obtained by means of accurate density functional theory simulations. We have applied the potential to the case of hydrophilic silicon wafer bonding at room temperature, revealing maximum room temperature work of adhesion values for natively oxidized and amorphous silica surfaces of 97 and 90 mJm(2), respectively, at a water adsorption coverage of approximately 1 ML. The difference arises from the stronger interaction of the natively oxidized surface with liquid water, resulting in a higher heat of immersion (203 vs 166 mJm(2)), and may be explained in terms of the more pronounced water structuring close to the surface in alternating layers of larger and smaller densities with respect to the liquid bulk. The computed force-displacement bonding curves may be a useful input for cohesive zone models where both the topographic details of the surfaces and the dependence of the attractive force on the initial surface separation and wetting can be taken into account.

Inferring Large-Scale Terrestrial Water Storage Through GRACE and GPS Data Fusion in Cloud Computing Environments

NASA Astrophysics Data System (ADS)

Rude, C. M.; Li, J. D.; Gowanlock, M.; Herring, T.; Pankratius, V.

2016-12-01

Surface subsidence due to depletion of groundwater can lead to permanent compaction of aquifers and damaged infrastructure. However, studies of such effects on a large scale are challenging and compute intensive because they involve fusing a variety of data sets beyond direct measurements from groundwater wells, such as gravity change measurements from the Gravity Recovery and Climate Experiment (GRACE) or surface displacements measured by GPS receivers. Our work therefore leverages Amazon cloud computing to enable these types of analyses spanning the entire continental US. Changes in groundwater storage are inferred from surface displacements measured by GPS receivers stationed throughout the country. Receivers located on bedrock are anti-correlated with changes in water levels from elastic deformation due to loading, while stations on aquifers correlate with groundwater changes due to poroelastic expansion and compaction. Correlating linearly detrended equivalent water thickness measurements from GRACE with linearly detrended and Kalman filtered vertical displacements of GPS stations located throughout the United States helps compensate for the spatial and temporal limitations of GRACE. Our results show that the majority of GPS stations are negatively correlated with GRACE in a statistically relevant way, as most GPS stations are located on bedrock in order to provide stable reference locations and measure geophysical processes such as tectonic deformations. Additionally, stations located on the Central Valley California aquifer show statistically significant positive correlations. Through the identification of positive and negative correlations, deformation phenomena can be classified as loading or poroelastic expansion due to changes in groundwater. This method facilitates further studies of terrestrial water storage on a global scale. This work is supported by NASA AIST-NNX15AG84G (PI: V. Pankratius) and Amazon.

Validation and Performance Comparison of Numerical Codes for Tsunami Inundation

NASA Astrophysics Data System (ADS)

Velioglu, D.; Kian, R.; Yalciner, A. C.; Zaytsev, A.

2015-12-01

In inundation zones, tsunami motion turns from wave motion to flow of water. Modelling of this phenomenon is a complex problem since there are many parameters affecting the tsunami flow. In this respect, the performance of numerical codes that analyze tsunami inundation patterns becomes important. The computation of water surface elevation is not sufficient for proper analysis of tsunami behaviour in shallow water zones and on land and hence for the development of mitigation strategies. Velocity and velocity patterns are also crucial parameters and have to be computed at the highest accuracy. There are numerous numerical codes to be used for simulating tsunami inundation. In this study, FLOW 3D and NAMI DANCE codes are selected for validation and performance comparison. Flow 3D simulates linear and nonlinear propagating surface waves as well as long waves by solving three-dimensional Navier-Stokes (3D-NS) equations. FLOW 3D is used specificaly for flood problems. NAMI DANCE uses finite difference computational method to solve linear and nonlinear forms of shallow water equations (NSWE) in long wave problems, specifically tsunamis. In this study, these codes are validated and their performances are compared using two benchmark problems which are discussed in 2015 National Tsunami Hazard Mitigation Program (NTHMP) Annual meeting in Portland, USA. One of the problems is an experiment of a single long-period wave propagating up a piecewise linear slope and onto a small-scale model of the town of Seaside, Oregon. Other benchmark problem is an experiment of a single solitary wave propagating up a triangular shaped shelf with an island feature located at the offshore point of the shelf. The computed water surface elevation and velocity data are compared with the measured data. The comparisons showed that both codes are in fairly good agreement with each other and benchmark data. All results are presented with discussions and comparisons. The research leading to these results has received funding from the European Union's Seventh Framework Programme (FP7/2007-2013) under grant agreement No 603839 (Project ASTARTE - Assessment, Strategy and Risk Reduction for Tsunamis in Europe)

Impact of land cover change on the environmental hydrology characteristics in Kelantan river basin, Malaysia

NASA Astrophysics Data System (ADS)

Saadatkhah, Nader; Mansor, Shattri; Khuzaimah, Zailani; Asmat, Arnis; Adnan, Noraizam; Adam, Siti Noradzah

2016-09-01

Changing the land cover/ land use has serious environmental impacts affecting the ecosystem in Malaysia. The impact of land cover changes on the environmental functions such as surface water, loss water, and soil moisture is considered in this paper on the Kelantan river basin. The study area at the east coast of the peninsular Malaysia has suffered significant land cover changes in the recent years. The current research tried to assess the impact of land cover changes in the study area focused on the surface water, loss water, and soil moisture from different land use classes and the potential impact of land cover changes on the ecosystem of Kelantan river basin. To simulate the impact of land cover changes on the environmental hydrology characteristics, a deterministic regional modeling were employed in this study based on five approaches, i.e. (1) Land cover classification based on Landsat images; (2) assessment of land cover changes during last three decades; (3) Calculation the rate of water Loss/ Infiltration; (4) Assessment of hydrological and mechanical effects of the land cover changes on the surface water; and (5) evaluation the impact of land cover changes on the ecosystem of the study area. Assessment of land cover impact on the environmental hydrology was computed with the improved transient rainfall infiltration and grid based regional model (Improved-TRIGRS) based on the transient infiltration, and subsequently changes in the surface water, due to precipitation events. The results showed the direct increased in surface water from development area, agricultural area, and grassland regions compared with surface water from other land covered areas in the study area. The urban areas or lower planting density areas tend to increase for surface water during the monsoon seasons, whereas the inter flow from forested and secondary jungle areas contributes to the normal surface water.

Surface water records of Texas, 1964

USGS Publications Warehouse

,

1965-01-01

The surface-water records for the 1964 water year for gaging stations, partial-record stations, miscellaneous sites, and base-flow studies within the State of Texas are given in this report. For convenience there are also included records for a few pertinent gaging stations in bordering States. The records were collected and computed by the Water Resources Division of the U. S. Geological Survey, under the direction of Trigg Twichell, district chief, Water Resources Division. Through September 30, 1960, the records of discharge and stage of streams and contents and stage of lakes or reservoirs were published in an annual series of U.S. Geological Survey water supply papers, entitled "Surface Water Supply of the United States." Since 1951 there have been 20 volumes in the series; each volume covered an area whose boundaries coincided with those of certain natural drainage areas. The records in Texas were contained in Parts 7 and 8 of that series. Beginning with the 1961 water year, streamflow records and related data have been released by the Geological Survey in annual reports on a State-boundary basis. Distribution of these basic-data reports is limited and primarily for local needs. Records will be published in Geological Survey water-supply papers at 5-year intervals.

Structure and stability of pyrophyllite edge surfaces: Effect of temperature and water chemical potential

NASA Astrophysics Data System (ADS)

Kwon, Kideok D.; Newton, Aric G.

2016-10-01

The surfaces of clay minerals, which are abundant in atmospheric mineral dust, serve as an important medium to catalyze ice nucleation. The lateral edge surface of 2:1 clay minerals is postulated to be a potential site for ice nucleation. However, experimental investigations of the edge surface structure itself have been limited compared to the basal planes of clay minerals. Density functional theory (DFT) computational studies have provided insights into the pyrophyllite edge surface. Pyrophyllite is an ideal surrogate mineral for the edge surfaces of 2:1 clay minerals as it possesses no or little structural charge. Of the two most-common hydrated edge surfaces, the AC edge, (1 1 0) surface in the monoclinic polytype notation, is predicted to be more stable than the B edge, (0 1 0) surface. These stabilities, however, were determined based on the total energies calculated at 0 K and did not consider environmental effects such as temperature and humidity. In this study, atomistic thermodynamics based on periodic DFT electronic calculations was applied to examine the effects of environmental variables on the structure and thermodynamic stability of the common edge surfaces in equilibrium with bulk pyrophyllite and water vapor. We demonstrate that the temperature-dependent vibrational energy of sorbed water molecules at the edge surface is a significant component of the surface free energy and cannot be neglected when determining the surface stability of pyrophyllite. The surface free energies were calculated as a function of temperature from 240 to 600 K and water chemical potential corresponding to conditions from ultrahigh vacuum to the saturation vapor pressure of water. We show that at lower water chemical potentials (dry conditions), the AC and B edge surfaces possessed similar stabilities; at higher chemical potentials (humid conditions) the AC edge surface was more stable than the B edge surface. At high temperatures, both surfaces showed similar stabilities regardless of the water chemical potential. The equilibrium morphology of pyrophyllite crystals is also expected to be dependent on these two environmental variables. Surface defects may impact the surface reactivity. We discuss the thermodynamic stability of a possible Si cation vacancy defect which provides additional hydroxyl group on the surface.

Computational Intelligence‐Assisted Understanding of Nature‐Inspired Superhydrophobic Behavior

PubMed Central

Zhang, Xia; Ding, Bei; Dixon, Sebastian C.

2017-01-01

Abstract In recent years, state‐of‐the‐art computational modeling of physical and chemical systems has shown itself to be an invaluable resource in the prediction of the properties and behavior of functional materials. However, construction of a useful computational model for novel systems in both academic and industrial contexts often requires a great depth of physicochemical theory and/or a wealth of empirical data, and a shortage in the availability of either frustrates the modeling process. In this work, computational intelligence is instead used, including artificial neural networks and evolutionary computation, to enhance our understanding of nature‐inspired superhydrophobic behavior. The relationships between experimental parameters (water droplet volume, weight percentage of nanoparticles used in the synthesis of the polymer composite, and distance separating the superhydrophobic surface and the pendant water droplet in adhesive force measurements) and multiple objectives (water droplet contact angle, sliding angle, and adhesive force) are built and weighted. The obtained optimal parameters are consistent with the experimental observations. This new approach to materials modeling has great potential to be applied more generally to aid design, fabrication, and optimization for myriad functional materials. PMID:29375975

Computational Intelligence-Assisted Understanding of Nature-Inspired Superhydrophobic Behavior.

PubMed

Zhang, Xia; Ding, Bei; Cheng, Ran; Dixon, Sebastian C; Lu, Yao

2018-01-01

In recent years, state-of-the-art computational modeling of physical and chemical systems has shown itself to be an invaluable resource in the prediction of the properties and behavior of functional materials. However, construction of a useful computational model for novel systems in both academic and industrial contexts often requires a great depth of physicochemical theory and/or a wealth of empirical data, and a shortage in the availability of either frustrates the modeling process. In this work, computational intelligence is instead used, including artificial neural networks and evolutionary computation, to enhance our understanding of nature-inspired superhydrophobic behavior. The relationships between experimental parameters (water droplet volume, weight percentage of nanoparticles used in the synthesis of the polymer composite, and distance separating the superhydrophobic surface and the pendant water droplet in adhesive force measurements) and multiple objectives (water droplet contact angle, sliding angle, and adhesive force) are built and weighted. The obtained optimal parameters are consistent with the experimental observations. This new approach to materials modeling has great potential to be applied more generally to aid design, fabrication, and optimization for myriad functional materials.

Experimental evaluation of theoretical sea surface reflectance factors relevant to above-water radiometry.

PubMed

Zibordi, Giuseppe

2016-03-21

Determination of the water-leaving radiance L_W through above-water radiometry requires knowledge of accurate reflectance factors ρ of the sea surface. Publicly available ρ relevant to above-water radiometry include theoretical data sets generated: i. by assuming a sky radiance distribution accounting for aerosols and multiple scattering, but neglecting polarization, and quantifying sea surface effects through Cox-Munk wave slope statistics; or differently ii. accounting for polarization, but assuming an ideal Rayleigh sky radiance distribution, and quantifying sea surface effects through modeled wave elevation and slope variance spectra. The impact on above-water data products of differences between those factors ρ was quantified through comparison of L_W from the Ocean Color component of the Aerosol Robotic Network (AERONET-OC) with collocated L_W from in-water radiometry. Results from the analysis of radiance measurements from the sea performed with 40 degrees viewing angle and 90 degrees azimuth offset with respect to the sun plane, indicated a slightly better agreement between above- and in-water L_W determined for wind speeds tentatively lower than 4 m s^-1 with ρ computed accounting for aerosols, multiple scattering and Cox-Munk surfaces. Nevertheless, analyses performed by partitioning the investigated data set also indicated that actual ρ values would exhibit dependence on sun zenith comprised between those characterizing the two sets of reflectance factors.

A magnetic fluid seal for rotary blood pumps: image and computational analyses of behaviors of magnetic fluids.

PubMed

Mitamura, Yoshinori; Yano, Tetsuya; Okamoto, Eiji

2013-01-01

A magnetic fluid (MF) seal has excellent durability. The performance of an MF seal, however, has been reported to decrease in liquids (several days). We have developed an MF seal that has a shield mechanism. The seal was perfect for 275 days in water. To investigate the effect of a shield, behaviors of MFs in a seal in water were studied both experimentally and computationally. (a) Two kinds of MF seals, one with a shield and one without a shield, were installed in a centrifugal pump. Behaviors of MFs in the seals in water were observed with a video camera and high-speed microscope. In the seal without a shield, the surface of the water in the seal waved and the turbulent flow affected behaviors of the MFs. In contrast, MFs rotated stably in the seal with a shield in water even at high rotational speeds. (b) Computational fluid dynamics analysis revealed that a stationary secondary flow pattern in the seal and small velocity difference between magnetic fluid and water at the interface. These MF behaviors prolonged the life of an MF seal in water.

Polarization optics of the Brewster's dark patch visible on water surfaces versus solar height and sky conditions: theory, computer modeling, photography, and painting.

PubMed

Takács, Péter; Barta, András; Pye, David; Horváth, Gábor

2017-10-20

When the sun is near the horizon, a circular band with approximately vertically polarized skylight is formed at 90° from the sun, and this skylight is only weakly reflected from the region of the water surface around the Brewster's angle (53° from the nadir). Thus, at low solar heights under a clear sky, an extended dark patch is visible on the water surface when one looks toward the north or south quarter perpendicular to the solar vertical. In this work, we study the radiance distribution of this so-called Brewster's dark patch (BDP) in still water as functions of the solar height and sky conditions. We calculate the pattern of reflectivity R of a water surface for a clear sky and obtain from this idealized situation the shape of the BDP. From three full-sky polarimetric pictures taken about a clear, a partly cloudy, and an overcast sky, we determine the R pattern and compose from that synthetic color pictures showing how the radiance distribution of skylight reflected at the water surface and the BDPs would look under these sky conditions. We also present photographs taken without a linearly polarizing filter about the BDP. Finally, we show a 19th century painting on which a river is seen with a dark region of the water surface, which can be interpreted as an artistic illustration of the BDP.

Analysis on the Upwelling of the Anoxic Water Mass in Inner Tokyo Bay

NASA Astrophysics Data System (ADS)

Kitahara, Kouichi; Wada, Akira; Kawanaga, Mitsuhito; Fukuoka, Ippei; Takano, Tairyu

In the period of strong density stratification from early summer through early fall, the supply of oxygen from the sea surface to the deeper water is cut off. At the same time, organic matter decomposes near the ocean bottom, so that the anoxic water mass forms. In inner Tokyo Bay, when a northeasterly wind(directed from the inner bay toward the mouth of the bay)blows, the anoxic water mass upwells(an “Aoshio” occurs). In some cases fishes and shellfish die along the coast. Based on the report of results of continuous observations of water temperature, salinity and dissolved oxygen content presented by Fukuoka et al, 2005, here we have used an improved fluid flow model to carry out 3-dimensional calculations of the water level, water temperature, salinity and flow distributions. The computational results have reproduced the observational results well. The calculations showed that upwelling of the anoxic water mass that forms during the stratified period is not only affected by the continuously blowing northeasterly wind, but also by a continuous southwesterly wind that blew several days previously. Surface water blown against the coast by this continuous southwesterly wind is pushed downward; the calculations reproduced the process by which the rising force of this previously downwelled surface water also affects the phenomenon of anoxia. Furthermore, we presented the results of time dependent analysis of quantities relevant to water quality, including dissolved oxygen, which is closely related to the Aoshio, using the flow and diffusion model and a primary ecological model during the stratified ocean period, the sinking period and the upwelling period. We have compared the computed results to the results of continuous observations of dissolved oxygen during occurrence of an Aoshio in 1992 at observation point D-2, and confirmed that this model is an appropriate one to describe this phenomenon.

Surface water records of New Mexico, water year 1961

USGS Publications Warehouse

,

1962-01-01

The surface-water records for the 1961 water year for gaging stations, partial-record stations, and miscellaneous sites within the State of New Mexico are given in this report. For convenience there are also included for a few pertinent gaging stations in bordering States. The records were collected and computed by the Water Resources Division of the U. S. Geological Survey, under the direction of W. L. Heckler, district engineer, Surface Water Branch. This report marks the beginning of a new method of presenting, annually, basic data on surface-water records by States. Through September 30, 1960, the records of discharge and stage of streams and contents and stage of lakes or reservoirs were published in an annual series of U. S. Geological Survey water supply papers entitled "Surface Water Supply of the United States." Since 1951 there has been 20 volumes in the series; each volume covered an area whose boundaries coincided with those of certain natural drainage areas. The records in New Mexico were contained in Parts 7, 8, and 9 of that series. Beginning with the 1961 water year, streamflow records and related data will be released by the Geological Survey in annual reports On a State-boundary basis. Distribution of these basic-data reports will be limited and primarily for local needs. The records later will be published in Geological Survey watersupply paper at 5-year intervals. These 5-year water-supply papers will show daily discharge and will be compiled on the same geographical areas previously used for the annual series; however, some of the 14 parts of conterminous United States will be further subdivided.

Surface water records of Indiana, 1962

USGS Publications Warehouse

,

1962-01-01

The surface-water records for the 1962 water year for gaging stations, partial-record stations, and miscellaneous sites within the State of Indiana are given in this report. For convenience there are also included records for a few pertinent gaging stations in bordering States. The records were collected and computed by the Water Resources Division of the U.S. Geological Survey, under the direction of Malcolm D. Hale, district engineer, Surface Water Branch. This report marks the beginning of a new method of presenting, annually, basic data on surface-water records by States. Through September 30, 1960, the records of discharge and stage of streams and contents and stage of lakes or reservoirs were published in an annual series of U.S. Geological Survey water-supply papers entitled "Surface Water Supply of the United States." Since 1951 there have been 20 volumes in the series; each volume covered an area whose boundaries coincided with those of certain natural drainage areas. The records in Indiana were contained in Parts 3A, 4 and 5 of that series. Beginning with the 1961 water year, streamflow records and related data will be released by the Geological Survey in annual reports on a State-boundary basis. Distribution of these basic-data reports will be limited and primarily for local needs. The records later will be published in Geological Survey water-supply papers at 5-year intervals. These 5-year water-supply papers will show daily discharge and will be compiled on the same geographical areas previously used for the annual series; however, some of the 14 parts of coterminous United States will be further subdivided.

Surface water records of Indiana, 1963

USGS Publications Warehouse

,

1963-01-01

The surface-water records for the 1963 water year for gaging stations, partial-record stations, and miscellaneous sites within the State of Indiana are given in this report. For convenience there are also included records for a few pertinent gaging stations in bordering States. The records were collected and computed by the Water Resources Division of the U.S. Geological Survey, under the direction of Malcolm D. Hale, district engineer, Surface Water Branch. This report marks the beginning of a new method of presenting, annually, basic data on surface-water records by States. Through September 30, 1960, the records of discharge and stage of streams and contents and stage of lakes or reservoirs were published in an annual series of U.S. Geological Survey water-supply papers entitled "Surface Water Supply of the United States." Since 1951 there have been 20 volumes in the series; each volume covered an area whose boundaries coincided with those of certain natural drainage areas. The records in Indiana were contained in Parts 3A, 4 and 5 of that series. Beginning with the 1961 water year, streamflow records and related data will be released by the Geological Survey in annual reports on a State-boundary basis. Distribution of these basic-data reports will be limited and primarily for local needs. The records later will be published in Geological Survey water-supply papers at 5-year intervals. These 5-year water-supply papers will show daily discharge and will be compiled on the same geographical areas previously used for the annual series; however, some of the 14 parts of coterminous United States will be further subdivided.

Surface water records of Indiana, 1964

USGS Publications Warehouse

,

1964-01-01

The surface-water records for the 1964 water year for gaging stations, partial-record stations, and miscellaneous sites within the State of Indiana are given in this report. For convenience there are also included records for a few pertinent gaging stations in bordering States. The records were collected and computed by the Water Resources Division of the U.S. Geological Survey, under the direction of Malcolm D. Hale, district engineer, Surface Water Branch. This report marks the beginning of a new method of presenting, annually, basic data on surface-water records by States. Through September 30, 1960, the records of discharge and stage of streams and contents and stage of lakes or reservoirs were published in an annual series of U.S. Geological Survey water-supply papers entitled "Surface Water Supply of the United States." Since 1951 there have been 20 volumes in the series; each volume covered an area whose boundaries coincided with those of certain natural drainage areas. The records in Indiana were contained in Parts 3A, 4 and 5 of that series. Beginning with the 1961 water year, streamflow records and related data will be released by the Geological Survey in annual reports on a State-boundary basis. Distribution of these basic-data reports will be limited and primarily for local needs. The records later will be published in Geological Survey water-supply papers at 5-year intervals. These 5-year water-supply papers will show daily discharge and will be compiled on the same geographical areas previously used for the annual series; however, some of the 14 parts of coterminous United States will be further subdivided.

Surface water records of Indiana, 1961

USGS Publications Warehouse

,

1961-01-01

The surface-water records for the 1961 water year for gaging stations, partial-record stations, and miscellaneous sites within the State of Indiana are given in this report. For convenience there are also included records for a few pertinent gaging stations in bordering States. The records were collected and computed by the Water Resources Division of the U.S. Geological Survey, under the direction of Malcolm D. Hale, district engineer, Surface Water Branch. This report marks the beginning of a new method of presenting, annually, basic data on surface-water records by States. Through September 30, 1960, the records of discharge and stage of streams and contents and stage of lakes or reservoirs were published in an annual series of U.S. Geological Survey water-supply papers entitled "Surface Water Supply of the United States." Since 1951 there have been 20 volumes in the series; each volume covered an area whose boundaries coincided with those of certain natural drainage areas. The records in Indiana were contained in Parts 3A, 4 and 5 of that series. Beginning with the 1961 water year, streamflow records and related data will be released by the Geological Survey in annual reports on a State-boundary basis. Distribution of these basic-data reports will be limited and primarily for local needs. The records later will be published in Geological Survey water-supply papers at 5-year intervals. These 5-year water-supply papers will show daily discharge and will be compiled on the same geographical areas previously used for the annual series; however, some of the 14 parts of coterminous United States will be further subdivided.

Exploiting interfacial water properties for desalination and purification applications.

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

Xu, Hongwu; Varma, Sameer; Nyman, May Devan

2008-09-01

A molecular-scale interpretation of interfacial processes is often downplayed in the analysis of traditional water treatment methods. However, such an approach is critical for the development of enhanced performance in traditional desalination and water treatments. Water confined between surfaces, within channels, or in pores is ubiquitous in technology and nature. Its physical and chemical properties in such environments are unpredictably different from bulk water. As a result, advances in water desalination and purification methods may be accomplished through an improved analysis of water behavior in these challenging environments using state-of-the-art microscopy, spectroscopy, experimental, and computational methods.

DAM - detection and mapping

NASA Technical Reports Server (NTRS)

1977-01-01

Integrated set of manual procedures, computer programs, and graphic devices processes multispectral scanner data from orbiting Landsat into precisely registered and formatted maps of surface water and other resources at variety of scales, sheet formats, and tick intervals.

A Non-Equilibrium Sediment Transport Model for Coastal Inlets and Navigation Channels

DTIC Science & Technology

2011-01-01

exchange of water , sediment, and nutrients between estuaries and the ocean. Because of the multiple interacting forces (waves, wind, tide, river...in parallel using OpenMP. The CMS takes advantage of the Surface- water Modeling System (SMS) interface for grid generation and model setup, as well...as for plotting and post- processing (Zundel, 2000). The circulation model in the CMS (called CMS-Flow) computes the unsteady water level and

Improving National Water Modeling: An Intercomparison of two High-Resolution, Continental Scale Models, CONUS-ParFlow and the National Water Model

NASA Astrophysics Data System (ADS)

Tijerina, D.; Gochis, D.; Condon, L. E.; Maxwell, R. M.

2017-12-01

Development of integrated hydrology modeling systems that couple atmospheric, land surface, and subsurface flow is growing trend in hydrologic modeling. Using an integrated modeling framework, subsurface hydrologic processes, such as lateral flow and soil moisture redistribution, are represented in a single cohesive framework with surface processes like overland flow and evapotranspiration. There is a need for these more intricate models in comprehensive hydrologic forecasting and water management over large spatial areas, specifically the Continental US (CONUS). Currently, two high-resolution, coupled hydrologic modeling applications have been developed for this domain: CONUS-ParFlow built using the integrated hydrologic model ParFlow and the National Water Model that uses the NCAR Weather Research and Forecasting hydrological extension package (WRF-Hydro). Both ParFlow and WRF-Hydro include land surface models, overland flow, and take advantage of parallelization and high-performance computing (HPC) capabilities; however, they have different approaches to overland subsurface flow and groundwater-surface water interactions. Accurately representing large domains remains a challenge considering the difficult task of representing complex hydrologic processes, computational expense, and extensive data needs; both models have accomplished this, but have differences in approach and continue to be difficult to validate. A further exploration of effective methodology to accurately represent large-scale hydrology with integrated models is needed to advance this growing field. Here we compare the outputs of CONUS-ParFlow and the National Water Model to each other and with observations to study the performance of hyper-resolution models over large domains. Models were compared over a range of scales for major watersheds within the CONUS with a specific focus on the Mississippi, Ohio, and Colorado River basins. We use a novel set of approaches and analysis for this comparison to better understand differences in process and bias. This intercomparison is a step toward better understanding how much water we have and interactions between surface and subsurface. Our goal is to advance our understanding and simulation of the hydrologic system and ultimately improve hydrologic forecasts.

Controlled Visual Sensing and Exploration

DTIC Science & Technology

2015-09-16

point cloud. This is clearly insufficient for most other tasks that require at least the topology of the scene to determine what surfaces or “objects...or whether it is empty space, as in the latter case it is traversable, in the former it is not. To this end, we have developed methods for topology ...Specific achievements include: • We have shown that surface topology and geometry can be computed without minimal surface bias, yielding water-tight

Atmospheric solar heating rate in the water vapor bands

NASA Technical Reports Server (NTRS)

Chou, Ming-Dah

1986-01-01

The total absorption of solar radiation by water vapor in clear atmospheres is parameterized as a simple function of the scaled water vapor amount. For applications to cloudy and hazy atmospheres, the flux-weighted k-distribution functions are computed for individual absorption bands and for the total near-infrared region. The parameterization is based upon monochromatic calculations and follows essentially the scaling approximation of Chou and Arking, but the effect of temperature variation with height is taken into account in order to enhance the accuracy. Furthermore, the spectral range is extended to cover the two weak bands centered at 0.72 and 0.82 micron. Comparisons with monochromatic calculations show that the atmospheric heating rate and the surface radiation can be accurately computed from the parameterization. Comparisons are also made with other parameterizations. It is found that the absorption of solar radiation can be computed reasonably well using the Goody band model and the Curtis-Godson approximation.

A New Method for Computing Three-Dimensional Capture Fraction in Heterogeneous Regional Systems using the MODFLOW Adjoint Code

NASA Astrophysics Data System (ADS)

Clemo, T. M.; Ramarao, B.; Kelly, V. A.; Lavenue, M.

2011-12-01

Capture is a measure of the impact of groundwater pumping upon groundwater and surface water systems. The computation of capture through analytical or numerical methods has been the subject of articles in the literature for several decades (Bredehoeft et al., 1982). Most recently Leake et al. (2010) described a systematic way to produce capture maps in three-dimensional systems using a numerical perturbation approach in which capture from streams was computed using unit rate pumping at many locations within a MODFLOW model. The Leake et al. (2010) method advances the current state of computing capture. A limitation stems from the computational demand required by the perturbation approach wherein days or weeks of computational time might be required to obtain a robust measure of capture. In this paper, we present an efficient method to compute capture in three-dimensional systems based upon adjoint states. The efficiency of the adjoint method will enable uncertainty analysis to be conducted on capture calculations. The USGS and INTERA have collaborated to extend the MODFLOW Adjoint code (Clemo, 2007) to include stream-aquifer interaction and have applied it to one of the examples used in Leake et al. (2010), the San Pedro Basin MODFLOW model. With five layers and 140,800 grid blocks per layer, the San Pedro Basin model, provided an ideal example data set to compare the capture computed from the perturbation and the adjoint methods. The capture fraction map produced from the perturbation method for the San Pedro Basin model required significant computational time to compute and therefore the locations for the pumping wells were limited to 1530 locations in layer 4. The 1530 direct simulations of capture require approximately 76 CPU hours. Had capture been simulated in each grid block in each layer, as is done in the adjoint method, the CPU time would have been on the order of 4 years. The MODFLOW-Adjoint produced the capture fraction map of the San Pedro Basin model at 704,000 grid blocks (140,800 grid blocks x 5 layers) in just 6 minutes. The capture fraction maps from the perturbation and adjoint methods agree closely. The results of this study indicate that the adjoint capture method and its associated computational efficiency will enable scientists and engineers facing water resource management decisions to evaluate the sensitivity and uncertainty of impacts to regional water resource systems as part of groundwater supply strategies. Bredehoeft, J.D., S.S. Papadopulos, and H.H. Cooper Jr, Groundwater: The water budget myth. In Scientific Basis of Water-Resources Management, ed. National Research Council (U.S.), Geophysical Study Committee, 51-57. Washington D.C.: National Academy Press, 1982. Clemo, Tom, MODFLOW-2005 Ground-Water Model-Users Guide to Adjoint State based Sensitivity Process (ADJ), BSU CGISS 07-01, Center for the Geophysical Investigation of the Shallow Subsurface, Boise State University, 2007. Leake, S.A., H.W. Reeves, and J.E. Dickinson, A New Capture Fraction Method to Map How Pumpage Affects Surface Water Flow, Ground Water, 48(5), 670-700, 2010.

Water dissociation and CO oxidation over Au/anatase catalyst. A DFT-D2 study

NASA Astrophysics Data System (ADS)

Saqlain, Muhammad Adnan; Hussain, Akhtar; Siddiq, Muhammad; Leitão, Alexandre A.

2018-03-01

With the help of DFT-D2 methodology, we have investigated the adsorption of water on clean anatase(001) and Au/anatase(001). In the former case, adsorption energies of H2O differ to small extent computed employing GGA = PW91 and DFT-D2 methods. While the GGA = PW91 predicts that water would desorb close to 650 K on the TiO2 surface, the DFT-D2 predicts that desorption is most likely to occur above 700 K. A comparison of water adsorption on TiO2 and Au/TiO2 surfaces shows that the TiO2 prefers dimer adsorption whereas the Au/TiO2 prefers monomer adsorption. We found that the diffusion of surface hydroxyls on to the Au cluster from the Au/TiO2 periphery is unlikely and it seems that the CO oxidation would occur at the Au/TiO2 boundary. The results show that water dissociation and CO oxidation steps occur easily on Au/TiO2 indicating that this could be good alternative catalyst for water gas shift reaction industry.

Application of the two-source energy balance model to partition evapotranspiration in an arid wine vineyard

NASA Astrophysics Data System (ADS)

Kool, Dilia; Kustas, William P.; Agam, Nurit

2016-04-01

The partitioning of evapotranspiration (ET) into transpiration (T), a productive water use, and soil water evaporation (E), which is generally considered a water loss, is highly relevant to agriculture in the light of increasing desertification and water scarcity. This task is challenged by the complexity of soil and plant interactions, coupled with changes in atmospheric and soil water content conditions. Many of the processes controlling water/energy exchange are not adequately modeled. The two-source energy balance model (TSEB) was evaluated and adapted for independent E and T estimations in an isolated drip-irrigated wine vineyard in the arid Negev desert. The TSEB model estimates ET by computing vegetation and soil energy fluxes using remotely sensed composite surface temperature, local weather data (solar radiation, air temperature and humidity, and wind speed), and vegetation metrics (row spacing, canopy height and width, and leaf area). The soil and vegetation energy fluxes are computed numerically using a system of temperature gradient and resistance equations; where soil and canopy temperatures are derived from the composite surface temperature. For estimation of ET, the TSEB model has been shown to perform well for various agricultural crops under a wide range of environmental conditions, but validation of T and E fluxes is limited to one study in a well-watered cotton crop. Extending the TSEB approach to water-limited vineyards demands careful consideration regarding how the complex canopy structure of vineyards will influence the accuracy of the partitioning between E and T. Data for evaluation of the TSEB model were collected over a season (bud break till harvest). Composite, canopy, and soil surface temperatures were measured using infrared thermometers. The composite vegetation and soil surface energy fluxes were assessed using independent measurements of net radiation, and soil, sensible and latent heat flux. The below canopy energy balance was assessed at the dry midrow position as well as the wet irrigated position directly underneath the vine row, where net radiation and soil heat flux were measured, sensible heat flux was computed indirectly, and E was calculated as the residual. While the below canopy energy balance approach used in this study allowed continuous assessment of E at daily intervals, instantaneous E fluxes could not be assessed due to vertical variability in shading below the canopy. Seasonal partitioning indicated that total E amounted to 9-11% of ET. Initial evaluation of the TSEB model indicated that discrepancies between modeled and measured fluxes can largely be attributed to net radiation partitioning. In addition, large diurnal variation at the soil surface requires adaptation of the soil heat flux formulations. Improved estimation of energy fluxes by accounting for the relatively complex canopy structure of vineyards will be highlighted.

Computational insights into charge transfer across functionalized semiconductor surfaces

NASA Astrophysics Data System (ADS)

Kearney, Kara; Rockett, Angus; Ertekin, Elif

2017-12-01

Photoelectrochemical water-splitting is a promising carbon-free fuel production method for producing H2 and O2 gas from liquid water. These cells are typically composed of at least one semiconductor photoelectrode which is prone to degradation and/or oxidation. Various surface modifications are known for stabilizing semiconductor photoelectrodes, yet stabilization techniques are often accompanied by a decrease in photoelectrode performance. However, the impact of surface modification on charge transport and its consequence on performance is still lacking, creating a roadblock for further improvements. In this review, we discuss how density functional theory and finite-element device simulations are reliable tools for providing insight into charge transport across modified photoelectrodes.

Developing a particle tracking surrogate model to improve inversion of ground water - Surface water models

NASA Astrophysics Data System (ADS)

Cousquer, Yohann; Pryet, Alexandre; Atteia, Olivier; Ferré, Ty P. A.; Delbart, Célestine; Valois, Rémi; Dupuy, Alain

2018-03-01

The inverse problem of groundwater models is often ill-posed and model parameters are likely to be poorly constrained. Identifiability is improved if diverse data types are used for parameter estimation. However, some models, including detailed solute transport models, are further limited by prohibitive computation times. This often precludes the use of concentration data for parameter estimation, even if those data are available. In the case of surface water-groundwater (SW-GW) models, concentration data can provide SW-GW mixing ratios, which efficiently constrain the estimate of exchange flow, but are rarely used. We propose to reduce computational limits by simulating SW-GW exchange at a sink (well or drain) based on particle tracking under steady state flow conditions. Particle tracking is used to simulate advective transport. A comparison between the particle tracking surrogate model and an advective-dispersive model shows that dispersion can often be neglected when the mixing ratio is computed for a sink, allowing for use of the particle tracking surrogate model. The surrogate model was implemented to solve the inverse problem for a real SW-GW transport problem with heads and concentrations combined in a weighted hybrid objective function. The resulting inversion showed markedly reduced uncertainty in the transmissivity field compared to calibration on head data alone.

Integrated water flow model and modflow-farm process: A comparison of theory, approaches, and features of two integrated hydrologic models

USGS Publications Warehouse

Dogrul, Emin C.; Schmid, Wolfgang; Hanson, Randall T.; Kadir, Tariq; Chung, Francis

2016-01-01

Effective modeling of conjunctive use of surface and subsurface water resources requires simulation of land use-based root zone and surface flow processes as well as groundwater flows, streamflows, and their interactions. Recently, two computer models developed for this purpose, the Integrated Water Flow Model (IWFM) from the California Department of Water Resources and the MODFLOW with Farm Process (MF-FMP) from the US Geological Survey, have been applied to complex basins such as the Central Valley of California. As both IWFM and MFFMP are publicly available for download and can be applied to other basins, there is a need to objectively compare the main approaches and features used in both models. This paper compares the concepts, as well as the method and simulation features of each hydrologic model pertaining to groundwater, surface water, and landscape processes. The comparison is focused on the integrated simulation of water demand and supply, water use, and the flow between coupled hydrologic processes. The differences in the capabilities and features of these two models could affect the outcome and types of water resource problems that can be simulated.

Mars surface based factory. Phase 2, task 1C: Computer control of a water treatment system to support a space colony on Mars

NASA Technical Reports Server (NTRS)

Fuller, John; Ali, Warsame; Willis, Danette

1989-01-01

In a continued effort to design a surface based factory on Mars for the production of oxygen and water, a preliminary study was made of the surface and atmospheric composition on Mars and determined the mass densities of the various gases in the Martian atmosphere. Based on the initial studies, oxygen and water were determined to be the two products that could be produced economically under the Martian conditions. Studies were also made on present production techniques to obtain water and oxygen. Analyses were made to evaluate the current methods of production that were adaptable to the Martian conditions. Even though the initial effort was the production of oxygen and water, it was found necessary to produce some diluted gases that can be mixed with the oxygen produced to constitute 'breathable' air. The conceptual design of a breathable air manufacturing system, a means of drilling for underground water, and storage of water for future use were completed. The design objective was the conceptual design of an integrated system for the supply of quality water for biological consumption, farming, residential and industrial use.

Study of lysozyme mobility and binding free energy during adsorption on a graphene surface

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

Nakano, C. Masato; Ma, Heng; Wei, Tao, E-mail: twei@lamar.edu

Understanding protein adsorption is a key to the development of biosensors and anti-biofouling materials. Hydration essentially controls the adsorption process on hydrophobic surfaces, but its effect is complicated by various factors. Here, we present an ideal model system to isolate hydration effects—lysozyme adsorption on a flat hydrophobic graphene surface. Our all-atom molecular dynamics and molecular-mechanics/Poisson-Boltzmann surface area computation study reveal that lysozyme on graphene displays much larger diffusivity than in bulk water. Protein's hydration free energy within the first hydration shell is dominated by the protein-water electrostatic interactions and acts as an energy barrier for protein adsorption. On the othermore » hand, the surface tension, especially that from the hydrophobic graphene, can effectively weaken the barrier to promote adsorption.« less

Clear water radiances for atmospheric correction of coastal zone color scanner imagery

NASA Technical Reports Server (NTRS)

Gordon, H. R.; Clark, D. K.

1981-01-01

The possibility of computing the inherent sea surface radiance for regions of clear water from coastal zone color scanner (CZCS) imagery given only a knowledge of the local solar zenith angle is examined. The inherent sea surface radiance is related to the upwelling and downwelling irradiances just beneath the sea surface, and an expression is obtained for a normalized inherent sea surface radiance which is nearly independent of solar zenith angle for low phytoplankton pigment concentrations. An analysis of a data base consisting of vertical profiles of upwelled spectral radiance and pigment concentration, which was used in the development of the CZCS program, confirms the virtual constancy of the normalized inherent sea surface radiance at wavelengths of 520 and 550 nm for cases when the pigment concentration is less than 0.25 mg/cu m. A strategy is then developed for using the normalized inherent sea surface radiance in the atmospheric correction of CZCS imagery.

Verification and transfer of thermal pollution model. Volume 3: Verification of 3-dimensional rigid-lid model

NASA Technical Reports Server (NTRS)

Lee, S. S.; Sengupta, S.; Nwadike, E. V.; Sinha, S. K.

1982-01-01

The six-volume report: describes the theory of a three dimensional (3-D) mathematical thermal discharge model and a related one dimensional (1-D) model, includes model verification at two sites, and provides a separate user's manual for each model. The 3-D model has two forms: free surface and rigid lid. The former, verified at Anclote Anchorage (FL), allows a free air/water interface and is suited for significant surface wave heights compared to mean water depth; e.g., estuaries and coastal regions. The latter, verified at Lake Keowee (SC), is suited for small surface wave heights compared to depth (e.g., natural or man-made inland lakes) because surface elevation has been removed as a parameter. These models allow computation of time-dependent velocity and temperature fields for given initial conditions and time-varying boundary conditions. The free-surface model also provides surface height variations with time.

Computational investigation of structural and electronic properties of aqueous interfaces of GaN, ZnO, and a GaN/ZnO alloy.

PubMed

Kharche, Neerav; Hybertsen, Mark S; Muckerman, James T

2014-06-28

The GaN/ZnO alloy functions as a visible-light photocatalyst for splitting water into hydrogen and oxygen. As a first step toward understanding the mechanism and energetics of water-splitting reactions, we investigate the microscopic structure of the aqueous interfaces of the GaN/ZnO alloy and compare them with the aqueous interfaces of pure GaN and ZnO. Specifically, we have studied the (101̄0) surface of GaN and ZnO and the (101̄0) and (12̄10) surfaces of the 1 : 1 GaN/ZnO alloy. The calculations are carried out using first-principles density functional theory based molecular dynamics (DFT-MD). The structure of water within a 3 Å distance from the semiconductor surface is significantly altered by the acid/base chemistry of the aqueous interface. Water adsorption on all surfaces is substantially dissociative such that the surface anions (N or O) act as bases accepting protons from dissociated water molecules while the corresponding hydroxide ions bond with surface cations (Ga or Zn). Additionally, the hard-wall interface presented by the semiconductor imparts ripples in the density of water. Beyond a 3 Å distance from the semiconductor surface, water exhibits a bulk-like hydrogen bond network and oxygen-oxygen radial distribution function. Taken together, these characteristics represent the resting (or "dark") state of the catalytic interface. The electronic structure analysis of the aqueous GaN/ZnO interface suggests that the photogenerated holes may get trapped on interface species other than the adsorbed OH(-) ions. This suggests additional dynamical steps in the water oxidation process.

Peak data for U.S. Geological Survey gaging stations, Texas network and computer program to estimate peak-streamflow frequency

USGS Publications Warehouse

Slade, R.M.; Asquith, W.H.

1996-01-01

About 23,000 annual peak streamflows and about 400 historical peak streamflows exist for about 950 stations in the surface-water data-collection network of Texas. These data are presented on a computer diskette along with the corresponding dates, gage heights, and information concerning the basin, and nature or cause for the flood. Also on the computer diskette is a U.S. Geological Survey computer program that estimates peak-streamflow frequency based on annual and historical peak streamflow. The program estimates peak streamflow for 2-, 5-, 10-, 25-, 50-, and 100-year recurrence intervals and is based on guidelines established by the Interagency Advisory Committee on Water Data. Explanations are presented for installing the program, and an example is presented with discussion of its options.

Mechanism insights into bio-floc bound water transformation based on synchrotron X-ray computed microtomography and viscoelastic acoustic response analysis.

PubMed

Wu, Boran; Zhou, Meng; Dai, Xiaohu; Chai, Xiaoli

2018-06-05

This study visually tracked the micro-spatial water distribution in bio-flocs of waste activated sludge through in situ synchrotron X-ray computed microtomography. Primarily, the two fractions of bound water, the vicinal water adhering to the surface of organic compositions and the interstitial water mechanically trapped in the net-like structure of bio-flocs, were proposed based on the cross-section imaging results. Furthermore, the determinants on bound water occurrences were explored in terms of viscoelastic acoustic responses of extracellular polymeric substances (EPS). The joint roles of hydrophilic substance removal, EPS aggregation compaction and colloidal instability of sludge flocs in bound water reduction were confirmed by the strong correlations (Pearson correlation coefficient, R p  > 0.95, p-value<0.04) among protein levels of EPS, EPS viscosity and bound water contents. Accordingly, providing adhering sites for vicinal water and forming bio-flocs with high viscosity for trapping interstitial water were proposed to be the contributions of EPS on bound water occurrences. Copyright © 2018 Elsevier Ltd. All rights reserved.

Models and observations of foam coverage and bubble content in the surf zone

NASA Astrophysics Data System (ADS)

Kirby, J. T.; Shi, F.; Holman, R. A.

2010-12-01

Optical and acoustical observations and communications are hampered in the nearshore by the presence of bubbles and foam generated by breaking waves. Bubble clouds in the water column provide a highly variable (both spatially and temporally) obstacle to direct acoustic and optical paths. Persistent foam riding on the water surface creates a primary occlusion of optical penetration into the water column. In an effort to better understand and predict the level of bubble and foam content in the surfzone, we have been pursuing the development of a detailed phase resolved model of fluid and gaseous components of the water column, using a Navier-Stokes/VOF formulation extended to include a multiphase description of polydisperse bubble populations. This sort of modeling provides a detailed description of large scale turbulent structures and associated bubble transport mechanisms under breaking wave crests. The modeling technique is too computationally intensive, however, to provide a wider-scale description of large surfzone regions. In order to approach the larger scale problem, we are developing a model for spatial and temporal distribution of foam and bubbles within the framework of a Boussinesq model. The basic numerical framework for the code is described by Shi et al (2010, this conference). Bubble effects are incorporated both in the mass and momentum balances for weakly dispersive, fully nonlinear waves, with spatial and temporal bubble distributions parameterized based on the VOF modeling and measurements and tied to the computed rate of dissipation of energy during breaking. A model of a foam layer on the water surface is specified using a shallow water formulation. Foam mass conservation includes source and sink terms representing outgassing of the water column, direct foam generation due to surface agitation, and erosion due to bubble bursting. The foam layer motion in the plane of the water surface arises due to a balance of drag forces due to wind and water column motion. Preliminary steps to calibrate and verify the resulting models will be taken based on results to be collected during the Surf Zone Optics experiment at Duck, NC in September 2010. Initial efforts will focus on an examination of breaking wave patterns and persistent foam distributions, using ARGUS imagery.

Study of the modes of adsorption and electronic structure of hydrogen peroxide and ethanol over TiO2 rutile (110) surface within the context of water splitting

NASA Astrophysics Data System (ADS)

Alghamdi, H.; Idriss, H.

2018-03-01

While photocatalytic water splitting over many materials is favourable thermodynamically the kinetic of the reaction is very slow. One of the proposed reasons linked to the slow oxidation reaction rate is H2O2 formation as a reaction intermediate. Using Density Functional Theory (DFT) H2O2 is investigated on TiO2 rutile (110) surface to determine its most stable adsorption modes: molecular, (H)O(H)O - (a), partially dissociated, (H)OO - (a), and fully dissociated (a) - OO - (a). We then compare H2O2 interaction to that of a fast hole scavenger molecule, ethanol. Geometry, electronic structure, charge density difference and work function determination of both adsorbates are presented and compared using DFT with different functionals (PBE, PBE-D, PBE-U, and HSE + D). H2O2 is found to be strongly adsorbed on TiO2 rutile (110) surface with adsorption energies reaching 0.95 eV, comparable to that of ethanol (0.89 eV); using GGA PBE. The negative changes in the work function upon adsorption were found to be highest for molecular adsorption ( - 1.23 eV) and lowest for the fully dissociated mode ( - 0.54 eV) of H2O2. This may indicate that electrons flow from the surface to the adsorbate in order to make O(s)-H partially offset the overall magnitude of the oxygen lone pair interaction (of H2O2) with Ti4+ cations. Examination of the electronic structure through density of states (DOS) at the PBE level of computation, indicates that the H2O2 highest occupied molecular orbital (HOMO) level is not overlapping with oxygen atoms of TiO2 surface at any of its adsorption modes and at any of the computation methods. Some overlap is seen using the HSE + D computational method. On the other hand the dissociated mode of ethanol (ethoxides) does overlap with all computational methods used. The high adsorption energy and the absence of overlapping of the HOMO level of H2O2 with TiO2 rutile (110) surface may explain why water splitting is slow.

The prediction of zenith range refraction from surface measurements of meteorological parameters. [mathematical models of atmospheric refraction used to improve spacecraft tracking space navigation

NASA Technical Reports Server (NTRS)

Berman, A. L.

1976-01-01

In the last two decades, increasingly sophisticated deep space missions have placed correspondingly stringent requirements on navigational accuracy. As part of the effort to increase navigational accuracy, and hence the quality of radiometric data, much effort has been expended in an attempt to understand and compute the tropospheric effect on range (and hence range rate) data. The general approach adopted has been that of computing a zenith range refraction, and then mapping this refraction to any arbitrary elevation angle via an empirically derived function of elevation. The prediction of zenith range refraction derived from surface measurements of meteorological parameters is presented. Refractivity is separated into wet (water vapor pressure) and dry (atmospheric pressure) components. The integration of dry refractivity is shown to be exact. Attempts to integrate wet refractivity directly prove ineffective; however, several empirical models developed by the author and other researchers at JPL are discussed. The best current wet refraction model is here considered to be a separate day/night model, which is proportional to surface water vapor pressure and inversely proportional to surface temperature. Methods are suggested that might improve the accuracy of the wet range refraction model.

Improving Land-Surface Model Hydrology: Is an Explicit Aquifer Model Better than a Deeper Soil Profile?

NASA Technical Reports Server (NTRS)

Gulden, L. E.; Rosero, E.; Yang, Z.-L.; Rodell, Matthew; Jackson, C. S.; Niu, G.-Y.; Yeh, P. J.-F.; Famiglietti, J. S.

2007-01-01

Land surface models (LSMs) are computer programs, similar to weather and climate prediction models, which simulate the storage and movement of water (including soil moisture, snow, evaporation, and runoff) after it falls to the ground as precipitation. It is not currently possible to measure all of the variables of interest everywhere on Earth with sufficient accuracy. Hence LSMs have been developed to integrate the available information, including satellite observations, using powerful computers, in order to track water storage and redistribution. The maps are used to improve weather forecasts, support water resources and agricultural applications, and study the Earth's water cycle and climate variability. Recently, the models have begun to simulate groundwater storage. In this paper, we compare several possible approaches, and examine the pitfalls associated with trying to estimate aquifer parameters (such as porosity) that are required by the models. We find that explicit representation of groundwater, as opposed to the addition of deeper soil layers, considerably decreases the sensitivity of modeled terrestrial water storage to aquifer parameter choices. We also show that approximate knowledge of parameter values is not sufficient to guarantee realistic model performance: because interaction among parameters is significant, they must be prescribed as a harmonious set.

Computational Fluid Dynamics Analysis of Nozzle in Abrasive Water Jet Machining

NASA Astrophysics Data System (ADS)

Venugopal, S.; Chandresekaran, M.; Muthuraman, V.; Sathish, S.

2017-03-01

Abrasive water jet cutting is one of the most recently developed non-traditional manufacturing technologies. The general nature of flow through the machining, results in rapid wear of the nozzle which decrease the cutting performance. It is well known that the inlet pressure of the abrasive water suspension has main effect on the erosion characteristics of the inner surface of the nozzle. The objective of the project is to analyze the effect of inlet pressure on wall shear and exit kinetic energy. The analysis would be carried out by varying the inlet pressure of the nozzle, so as to obtain optimized process parameters for minimum nozzle wear. The two phase flow analysis would be carried by using computational fluid dynamics tool CFX. The availability of minimized process parameters such as of abrasive water jet machining (AWJM) is limited to water and experimental test can be cost prohibitive.

Determination of channel capacity of the Sacramento River between Ordbend and Glenn, Butte and Glenn counties, California

USGS Publications Warehouse

Simpson, R.G.

1976-01-01

The adequacy of an 8.5-mi reach of the Sacramento River to carry flood flows is evaluated. The reach studied is in Butte and Glenn Counties, California, and extends northward from the present east-bank Sacramento River Flood Control Project levee near Glenn upstream to the Ord Ferry gaging station near Ordbend. There is a west-bank levee throughout the study reach. Flows analyzed range from 11,500 to 265,000 cfs. Computed water-surface elevations are based on topography obtained during September through November 1974. The present Sacramento River Flood Control Project levees at the downstream end of the study reach near Glenn are designed to contain flows up to 150,000 cfs. Water-surface elevations computed for flows of this magnitude are about 6 to 8 ft below the top of the existing west-bank levee throughout the study reach. (Woodard-USGS)

Three-dimensional localized coherent structures of surface turbulence: Model validation with experiments and further computations.

PubMed

Demekhin, E A; Kalaidin, E N; Kalliadasis, S; Vlaskin, S Yu

2010-09-01

We validate experimentally the Kapitsa-Shkadov model utilized in the theoretical studies by Demekhin [Phys. Fluids 19, 114103 (2007)10.1063/1.2793148; Phys. Fluids 19, 114104 (2007)]10.1063/1.2793149 of surface turbulence on a thin liquid film flowing down a vertical planar wall. For water at 15° , surface turbulence typically occurs at an inlet Reynolds number of ≃40 . Of particular interest is to assess experimentally the predictions of the model for three-dimensional nonlinear localized coherent structures, which represent elementary processes of surface turbulence. For this purpose we devise simple experiments to investigate the instabilities and transitions leading to such structures. Our experimental results are in good agreement with the theoretical predictions of the model. We also perform time-dependent computations for the formation of coherent structures and their interaction with localized structures of smaller amplitude on the surface of the film.

Mechanical Aspects of Interfaces and Surfaces in Ceramic Containing Systems.

DTIC Science & Technology

1984-12-14

of a computer model to simulate the crack damage. The model is based on the fracture mechanics of cracks engulfed by the short stress pulse generated...by drop impact. Inertial effects of the crack faces are a particularly important aspect of the model. The computer scheme thereby allows the stress...W. R. Beaumont, "On the Toughness of Particulate Filled Polymers." Water Drop Impact X. E. D. Case and A. G. Evans, "A Computer -Generated Simulation

Verification and transfer of thermal pollution model. Volume 2: User's manual for 3-dimensional free-surface model

NASA Technical Reports Server (NTRS)

Lee, S. S.; Sengupta, S.; Tuann, S. Y.; Lee, C. R.

1982-01-01

The six-volume report: describes the theory of a three-dimensional (3-D) mathematical thermal discharge model and a related one-dimensional (1-D) model, includes model verification at two sites, and provides a separate user's manual for each model. The 3-D model has two forms: free surface and rigid lid. The former, verified at Anclote Anchorage (FL), allows a free air/water interface and is suited for significant surface wave heights compared to mean water depth; e.g., estuaries and coastal regions. The latter, verified at Lake Keowee (SC), is suited for small surface wave heights compared to depth. These models allow computation of time-dependent velocity and temperature fields for given initial conditions and time-varying boundary conditions.

Detection And Mapping (DAM) package. Volume 4B: Software System Manual, part 2

NASA Technical Reports Server (NTRS)

Schlosser, E. H.

1980-01-01

Computer programs, graphic devices, and an integrated set of manual procedures designed for efficient production of precisely registered and formatted maps from digital data are presented. The software can be used on any Univac 1100 series computer. The software includes pre-defined spectral limits for use in classifying and mapping surface water for LANDSAT-1, LANDSAT-2, and LANDSAT-3.

Characterizing water-metal interfaces and machine learning potential energy surfaces

NASA Astrophysics Data System (ADS)

Ryczko, Kevin

In this thesis, we first discuss the fundamentals of ab initio electronic structure theory and density functional theory (DFT). We also discuss statistics related to computing thermodynamic averages of molecular dynamics (MD). We then use this theory to analyze and compare the structural, dynamical, and electronic properties of liquid water next to prototypical metals including platinum, graphite, and graphene. Our results are built on Born-Oppenheimer molecular dynamics (BOMD) generated using density functional theory (DFT) which explicitly include van der Waals (vdW) interactions within a first principles approach. All calculations reported use large simulation cells, allowing for an accurate treatment of the water-electrode interfaces. We have included vdW interactions through the use of the optB86b-vdW exchange correlation functional. Comparisons with the Perdew-Burke-Ernzerhof (PBE) exchange correlation functional are also shown. We find an initial peak, due to chemisorption, in the density profile of the liquid water-Pt interface not seen in the liquid water-graphite interface, liquid watergraphene interface, nor interfaces studied previously. To further investigate this chemisorption peak, we also report differences in the electronic structure of single water molecules on both Pt and graphite surfaces. We find that a covalent bond forms between the single water molecule and the platinum surface, but not between the single water molecule and the graphite surface. We also discuss the effects that defects and dopants in the graphite and graphene surfaces have on the structure and dynamics of liquid water. Lastly, we introduce artificial neural networks (ANNs), and demonstrate how they can be used to machine learn electronic structure calculations. As a proof of principle, we show the success of an ANN potential energy surfaces for a dimer molecule with a Lennard-Jones potential.

Stochastic surface walking reaction sampling for resolving heterogeneous catalytic reaction network: A revisit to the mechanism of water-gas shift reaction on Cu

NASA Astrophysics Data System (ADS)

Zhang, Xiao-Jie; Shang, Cheng; Liu, Zhi-Pan

2017-10-01

Heterogeneous catalytic reactions on surface and interfaces are renowned for ample intermediate adsorbates and complex reaction networks. The common practice to reveal the reaction mechanism is via theoretical computation, which locates all likely transition states based on the pre-guessed reaction mechanism. Here we develop a new theoretical method, namely, stochastic surface walking (SSW)-Cat method, to resolve the lowest energy reaction pathway of heterogeneous catalytic reactions, which combines our recently developed SSW global structure optimization and SSW reaction sampling. The SSW-Cat is automated and massively parallel, taking a rough reaction pattern as input to guide reaction search. We present the detailed algorithm, discuss the key features, and demonstrate the efficiency in a model catalytic reaction, water-gas shift reaction on Cu(111) (CO + H2O → CO2 + H2). The SSW-Cat simulation shows that water dissociation is the rate-determining step and formic acid (HCOOH) is the kinetically favorable product, instead of the observed final products, CO2 and H2. It implies that CO2 and H2 are secondary products from further decomposition of HCOOH at high temperatures. Being a general purpose tool for reaction prediction, the SSW-Cat may be utilized for rational catalyst design via large-scale computations.

Evaluation of LANDSAT-2 (ERTS) images applied to geologic structures and mineral resources of South America. [Salar de Coposa, Chile and Salar of Uyuni, Bolivia

NASA Technical Reports Server (NTRS)

Carter, W. D. (Principal Investigator); Kowalik, W. S.

1976-01-01

The author has identified the following significant results. The Salar of Coposa is located in northern Chile along the frontier with Bolivia. The surface was divided into six general classes of materials. Analysis of LANDSAT image 1243-14001 by use of interactive multispectral computer (Image 100) enabled accurate repetition of these general classes based on reflectance. The Salar of Uyuni is the largest of the South American evaporite deposits. Using image 1243-13595, and parallel piped computer classification of reflectance units, the Salar was divided into nine classes ranging from deep to shallow water, water over salt, salt saturated with water, and several classes of dry salt.

Water-use computer programs for Florida

USGS Publications Warehouse

Geiger, L.H.

1984-01-01

Using U.S. Geological Survey computer programs L149-L153, this report shows how to process water-use data for the functional water-use categories: public supply, rural supply, industrial self-supplied, irrigation, and thermo-electric power generation. The programs are used to selectively retrieve entries and list them in a format suitable for publication. Instructions are given for coding cards to produce tables of water-use data for each of the functional use categories. These cards contain entries that identify a particular water-use data-collection site in Florida. Entries on the cards include location information such as county code, water management district code, hydrologic unit code, and, where applicable, a site name and number. Annual and monthly pumpage is included. These entries are shown with several different headings; for example, surface water or ground water, freshwater or saline pumpages, or consumptive use. All the programs use a similar approach; however, the actual programs differ with each functional water-use category and are discussed separately. Data prepared for these programs can also be processed by the National Water-Use Data System. (USGS)

Analysis of micromixers and biocidal coatings on water-treatment membranes to minimize biofouling.

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

Webb, Stephen W.; James, Darryl L.; Hibbs, Michael R.

2009-12-01

Biofouling, the unwanted growth of biofilms on a surface, of water-treatment membranes negatively impacts in desalination and water treatment. With biofouling there is a decrease in permeate production, degradation of permeate water quality, and an increase in energy expenditure due to increased cross-flow pressure needed. To date, a universal successful and cost-effect method for controlling biofouling has not been implemented. The overall goal of the work described in this report was to use high-performance computing to direct polymer, material, and biological research to create the next generation of water-treatment membranes. Both physical (micromixers - UV-curable epoxy traces printed on themore » surface of a water-treatment membrane that promote chaotic mixing) and chemical (quaternary ammonium groups) modifications of the membranes for the purpose of increasing resistance to biofouling were evaluated. Creation of low-cost, efficient water-treatment membranes helps assure the availability of fresh water for human use, a growing need in both the U. S. and the world.« less

Atomistic and molecular effects in electric double layers at high surface charges

DOE PAGES

Templeton, Jeremy Alan; Lee, Jonathan; Mani, Ali

2015-06-16

Here, the Poisson–Boltzmann theory for electrolytes near a charged surface is known to be invalid due to unaccounted physics associated with high ion concentration regimes. In order to investigate this regime, fluids density functional theory (f-DFT) and molecular dynamics (MD) simulations were used to determine electric surface potential as a function of surface charge. Based on these detailed computations, for electrolytes with nonpolar solvent, the surface potential is shown to depend quadratically on the surface charge in the high charge limit. We demonstrate that modified Poisson–Boltzmann theories can model this limit if they are augmented with atomic packing densities providedmore » by MD. However, when the solvent is a highly polar molecule water an intermediate regime is identified in which a constant capacitance is realized. Simulation results demonstrate the mechanism underlying this regime, and for the salt water system studied here, it persists throughout the range of physically realistic surface charge densities so the potential’s quadratic surface charge dependence is not obtained.« less

Newtonian to non-Newtonian flow transition in lung surfactants

NASA Astrophysics Data System (ADS)

Sadoughi, Amir; Hirsa, Amir; Lopez, Juan

2010-11-01

The lining of normal lungs is covered by surfactants, because otherwise the surface tension of the aqueous layer would be too large to allow breathing. A lack of functioning surfactants can lead to respiratory distress syndrome, a potentially fatal condition in both premature infants and adults, and a major cause of death in the US and world-wide. We use a home-built Brewster angle microscope on an optically accessible deep channel viscometer to simultaneously observe the mesoscale structures of DPPC, the primary constituent of lung surfactant, on water surface and measure the interfacial velocity field. The measured interfacial velocity is compared to Navier-Stokes computations with the Boussinesq-Scriven surface model. Results show that DPPC monolayer behaves i) purely elastically at low surface pressures on water, ii) viscoelastically at modest surface pressures, exhibiting non-zero surface shear viscosity that is independent of the shear rate and flow inertia, and iii) at surface pressures approaching film collapse, DPPC loses its fluid characteristics, and a Newtonian surface model no longer captures its hydrodynamics.

Hydrological and glaciological balances on Antizana Volcano, Ecuador

NASA Astrophysics Data System (ADS)

Favier, V.; Cadier, E.; Coudrain, A.; Francou, B.; Maisincho, L.; Praderio, E.; Villacis, M.; Wagnon, P.

2006-12-01

Water supply for Quito, the capital of Ecuador, is partly fed by the water collected at the piedmont of Antizana ice covered stratovolcano. In order to assess the contribution of glaciers to the local water resources, a comparison of hydrological and glaciological datasets collected over the 1995-2005 period on Antizana Glacier 15 watershed was realized. Over the study period, Antizana glacier 15 retreated quickly, inducing an important water contribution to lower altitude discharges. However, comparison of hydrological and glaciological balances allowed observation of important missing runoffs due to underground circulations. Subsuperficial circulations were initially questioned due to the total disappearance of surface streams at the level of the frontal moraine, a surface stream being observed again downstream the moraine. Brine injections were performed upstream the moraine and in a small lake located on the moraine and restitution rates of salt were computed. Tracer experiments demonstrated a complete restitution of discharges implying that missing runoff were not involved in subsuperficial circulations but in deeper ones that may have flown through the fractured rock environment of the stratovlocano. Experiments also demonstrated that infiltrations occurred directly at the bedrock of the glaciers. Then, taking into account the weak discharges observed at the glacier front would induce computation of a strongly underestimated value of the actual water contribution from glaciers to lower altitude discharges. Finally, assessing water contribution from glaciers of Ecuador requires a comparison of glaciological and hydrological data.

Incorporating human-water dynamics in a hyper-resolution land surface model

NASA Astrophysics Data System (ADS)

Vergopolan, N.; Chaney, N.; Wanders, N.; Sheffield, J.; Wood, E. F.

2017-12-01

The increasing demand for water, energy, and food is leading to unsustainable groundwater and surface water exploitation. As a result, the human interactions with the environment, through alteration of land and water resources dynamics, need to be reflected in hydrologic and land surface models (LSMs). Advancements in representing human-water dynamics still leave challenges related to the lack of water use data, water allocation algorithms, and modeling scales. This leads to an over-simplistic representation of human water use in large-scale models; this is in turn leads to an inability to capture extreme events signatures and to provide reliable information at stakeholder-level spatial scales. The emergence of hyper-resolution models allows one to address these challenges by simulating the hydrological processes and interactions with the human impacts at field scales. We integrated human-water dynamics into HydroBlocks - a hyper-resolution, field-scale resolving LSM. HydroBlocks explicitly solves the field-scale spatial heterogeneity of land surface processes through interacting hydrologic response units (HRUs); and its HRU-based model parallelization allows computationally efficient long-term simulations as well as ensemble predictions. The implemented human-water dynamics include groundwater and surface water abstraction to meet agricultural, domestic and industrial water demands. Furthermore, a supply-demand water allocation scheme based on relative costs helps to determine sectoral water use requirements and tradeoffs. A set of HydroBlocks simulations over the Midwest United States (daily, at 30-m spatial resolution for 30 years) are used to quantify the irrigation impacts on water availability. The model captures large reductions in total soil moisture and water table levels, as well as spatiotemporal changes in evapotranspiration and runoff peaks, with their intensity related to the adopted water management strategy. By incorporating human-water dynamics in a hyper-resolution LSM this work allows for progress on hydrological monitoring and predictions, as well as drought preparedness and water impact assessments at relevant decision-making scales.

Ground-water resources of Kansas

USGS Publications Warehouse

Moore, R.C.; Lohman, S.W.; Frye, J.C.; Waite, H.A.; McLaughlin, Thad G.; Latta, Bruce

1940-01-01

Importance of ground-water resources.—The importance of Kansas' ground-water resources may be emphasized from various viewpoints and in different ways. More than three-fourths of the public water supplies of Kansas are obtained from wells. In 1939, only 60 out of 375 municipal water supplies in Kansas, which is 16 percent, utilized surface waters. If the water wells of the cities and those located on all privately owned land in the state were suddenly destroyed, making it necessary to go to streams, springs, lakes (which are almost all artificial), and ponds for water supply domestic, stock, and industrial use, there would be almost incalculable difficulty and expense. If one could not go to springs, or dig new wells, or use any surface water derived from underground flow, much of Kansas would become uninhabitable.  These suggested conditions seem absurd, but they emphasize our dependence on ground-water resources. Fromm a quantitative standpoint, ground-water supplies existent in Kansas far outweigh surface waters that are present in the state at any one time. No exact figures for such comparison can be given, but, taking 384 square miles as the total surface water area of the state and estimating an average water depth of five feet, the computed volume of surface waters is found to be 1/100th of that of the conservatively estimated ground-water storage in Kansas. The latter takes account only of potable fresh water and is based on an assumed mean thickness of ten feet of reservoir having an effective porosity of twenty percent. It is to be remembered, however, that most of the surface water is run-off, which soon leaves the state, stream valleys being replenished from rainfall and flow from ground-water reservoirs. Most of the ground-water supplies, on the other hand, have existed for many years with almost no appreciable movement--in fact, it is reasonably certain that some well water drawn from beneath the surface of Kansas in 1940 represents rainfall in this region at time before the first white man entered Kansas, even before the visit of Coronado in the 16th century. Most ground water is to be regarded as water in storage rather than water in transit.   

Application of LANDSAT to the surveillance and control of lake eutrophication in the Great Lakes basin. [Madison and Spooner, Wisconsin

NASA Technical Reports Server (NTRS)

Rogers, R. H. (Principal Investigator)

1975-01-01

The author has identified the following significant results. By use of distilled water samples in the laboratory, and very clear lakes in the field, a technique was developed where the atmosphere and surface noise effects on LANDSAT signals from water bodies can be removed. The residual signal dependent only on the material in water was used as a basis for computer categorization of lakes by type and concentration of suspended material. Several hundred lakes in the Madison and Spooner, Wisconsin area were categorized by computer techniques for tannin or nontannin waters and for the degree of algae, silt, weeds, and bottom effects present. When the lakes are categorized as having living algae or weeds, their concentration is related to the enrichment or eutrophication of the lake.

A review on data and predictions of water dielectric spectra for calculations of van der Waals surface forces.

PubMed

Wang, Jianlong; Nguyen, Anh V

2017-12-01

Van der Waals forces are one of the important components of intermolecular, colloidal and surface forces governing many phenomena and processes. The latest examples include the colloidal interactions between hydrophobic colloids and interfaces in ambient (non-degassed) water in which dissolved gases and nanobubbles are shown to affect the van der Waals attractions significantly. The advanced computation of van der Waals forces in aqueous systems by the Lifshitz theory requires reliable data for water dielectric spectra. In this paper we review the available predictions of water dielectric spectra for calculating colloidal and surface van der Waals forces. Specifically, the available experimental data for the real and imaginary parts of the complex dielectric function of liquid water in the microwave, IR and UV regions and various corresponding predictions of the water spectra are critically reviewed. The data in the UV region are critical, but the available predictions are still based on the outdated data obtained in 1974 (for frequency only up to 25.5eV). We also reviewed and analysed the experimental data obtained for the UV region in 2000 (for frequency up to 50eV) and 2015 (for frequency up to 100eV). The 1974 and 2000 data require extrapolations to higher frequencies needed for calculating the van der Waals forces but remain inaccurate. Our analysis shows that the latest data of 2015 do not require the extrapolation and can be used to reliably calculate van der Waals forces. The most recent water dielectric spectra gives the (non-retarded) Hamaker constant, A=5.20×10 -20 J, for foam films of liquid water. This review provides the most updated and reliable water dielectric spectra to compute van der Waals forces in aqueous systems. Copyright © 2017 Elsevier B.V. All rights reserved.

Documentation of a computer program to simulate lake-aquifer interaction using the MODFLOW ground water flow model and the MOC3D solute-transport model

USGS Publications Warehouse

Merritt, Michael L.; Konikow, Leonard F.

2000-01-01

Heads and flow patterns in surficial aquifers can be strongly influenced by the presence of stationary surface-water bodies (lakes) that are in direct contact, vertically and laterally, with the aquifer. Conversely, lake stages can be significantly affected by the volume of water that seeps through the lakebed that separates the lake from the aquifer. For these reasons, a set of computer subroutines called the Lake Package (LAK3) was developed to represent lake/aquifer interaction in numerical simulations using the U.S. Geological Survey three-dimensional, finite-difference, modular ground-water flow model MODFLOW and the U.S. Geological Survey three-dimensional method-of-characteristics solute-transport model MOC3D. In the Lake Package described in this report, a lake is represented as a volume of space within the model grid which consists of inactive cells extending downward from the upper surface of the grid. Active model grid cells bordering this space, representing the adjacent aquifer, exchange water with the lake at a rate determined by the relative heads and by conductances that are based on grid cell dimensions, hydraulic conductivities of the aquifer material, and user-specified leakance distributions that represent the resistance to flow through the material of the lakebed. Parts of the lake may become ?dry? as upper layers of the model are dewatered, with a concomitant reduction in lake surface area, and may subsequently rewet when aquifer heads rise. An empirical approximation has been encoded to simulate the rewetting of a lake that becomes completely dry. The variations of lake stages are determined by independent water budgets computed for each lake in the model grid. This lake budget process makes the package a simulator of the response of lake stage to hydraulic stresses applied to the aquifer. Implementation of a lake water budget requires input of parameters including those representing the rate of lake atmospheric recharge and evaporation, overland runoff, and the rate of any direct withdrawal from, or augmentation of, the lake volume. The lake/aquifer interaction may be simulated in both transient and steady-state flow conditions, and the user may specify that lake stages be computed explicitly, semi-implicitly, or fully-implicitly in transient simulations. The lakes, and all sources of water entering the lakes, may have solute concentrations associated with them for use in solute-transport simulations using MOC3D. The Stream Package of MODFLOW-2000 and MOC3D represents stream connections to lakes, either as inflows or outflows. Because lakes with irregular bathymetry can exist as separate pools of water at lower stages, that coalesce to become a single body of water at higher stages, logic was added to the Lake Package to allow the representation of this process as a user option. If this option is selected, a system of linked pools (sublakes) is identified in each time step and stages are equalized based on current relative sublake surface areas.

Computational design of the basic dynamical processes of the UCLA general circulation model

NASA Technical Reports Server (NTRS)

Arakawa, A.; Lamb, V. R.

1977-01-01

The 12-layer UCLA general circulation model encompassing troposphere and stratosphere (and superjacent 'sponge layer') is described. Prognostic variables are: surface pressure, horizontal velocity, temperature, water vapor and ozone in each layer, planetary boundary layer (PBL) depth, temperature, moisture and momentum discontinuities at PBL top, ground temperature and water storage, and mass of snow on ground. Selection of space finite-difference schemes for homogeneous incompressible flow, with/without a free surface, nonlinear two-dimensional nondivergent flow, enstrophy conserving schemes, momentum advection schemes, vertical and horizontal difference schemes, and time differencing schemes are discussed.

Fully coupled six-dimensional calculations of the water dimer vibration-rotation-tunneling states with split Wigner pseudospectral approach. II. Improvements and tests of additional potentials

NASA Astrophysics Data System (ADS)

Fellers, R. S.; Braly, L. B.; Saykally, R. J.; Leforestier, C.

1999-04-01

The SWPS method is improved by the addition of H.E.G. contractions for generating a more compact basis. An error in the definition of the internal fragment axis system used in our previous calculation is described and corrected. Fully coupled 6D (rigid monomers) VRT states are computed for several new water dimer potential surfaces and compared with experiment and our earlier SWPS results. This work sets the stage for refinement of such potential surfaces via regression analysis of VRT spectroscopic data.

Optimizing water resources management in large river basins with integrated surface water-groundwater modeling: A surrogate-based approach

NASA Astrophysics Data System (ADS)

Wu, Bin; Zheng, Yi; Wu, Xin; Tian, Yong; Han, Feng; Liu, Jie; Zheng, Chunmiao

2015-04-01

Integrated surface water-groundwater modeling can provide a comprehensive and coherent understanding on basin-scale water cycle, but its high computational cost has impeded its application in real-world management. This study developed a new surrogate-based approach, SOIM (Surrogate-based Optimization for Integrated surface water-groundwater Modeling), to incorporate the integrated modeling into water management optimization. Its applicability and advantages were evaluated and validated through an optimization research on the conjunctive use of surface water (SW) and groundwater (GW) for irrigation in a semiarid region in northwest China. GSFLOW, an integrated SW-GW model developed by USGS, was employed. The study results show that, due to the strong and complicated SW-GW interactions, basin-scale water saving could be achieved by spatially optimizing the ratios of groundwater use in different irrigation districts. The water-saving potential essentially stems from the reduction of nonbeneficial evapotranspiration from the aqueduct system and shallow groundwater, and its magnitude largely depends on both water management schemes and hydrological conditions. Important implications for water resources management in general include: first, environmental flow regulation needs to take into account interannual variation of hydrological conditions, as well as spatial complexity of SW-GW interactions; and second, to resolve water use conflicts between upper stream and lower stream, a system approach is highly desired to reflect ecological, economic, and social concerns in water management decisions. Overall, this study highlights that surrogate-based approaches like SOIM represent a promising solution to filling the gap between complex environmental modeling and real-world management decision-making.

Animated molecular dynamics simulations of hydrated caesium-smectite interlayers

PubMed Central

Sutton, Rebecca; Sposito, Garrison

2002-01-01

Computer animation of center of mass coordinates obtained from 800 ps molecular dynamics simulations of Cs-smectite hydrates (1/3 and 2/3 water monolayers) provided information concerning the structure and dynamics of the interlayer region that could not be obtained through traditional simulation analysis methods. Cs+ formed inner sphere complexes with the mineral surface, and could be seen to jump from one attracting location near a layer charge site to the next, while water molecules were observed to migrate from the hydration shell of one ion to that of another. Neighboring ions maintained a partial hydration shell by sharing water molecules, such that a single water molecule hydrated two ions simultaneously for hundreds of picoseconds. Cs-montmorillonite hydrates featured the largest extent of this sharing interaction, because interlayer ions were able to inhabit positions near surface cavities as well as at their edges, close to oxygen triads. The greater positional freedom of Cs+ within the montmorillonite interlayer, a result of structural hydroxyl orientation and low tetrahedral charge, promoted the optimization of distances between cations and water molecules required for water sharing. Preference of Cs+ for locations near oxygen triads was observed within interlayer beidellite and hectorite. Water molecules also could be seen to interact directly with the mineral surface, entering its surface cavities to approach attracting charge sites and structural hydroxyls. With increasing water content, water molecules exhibited increased frequency and duration of both cavity habitation and water sharing interactions. Competition between Cs+ and water molecules for surface sites was evident. These important cooperative and competitive features of interlayer molecular behavior were uniquely revealed by animation of an otherwise highly complex simulation output.

Documentation of a digital spatial data base for hydrologic investigations, Broward County, Florida

USGS Publications Warehouse

Sonenshein, R.S.

1992-01-01

Geographic information systems have become an important tool in planning for the protection and development of natural resources, including ground water and surface water. A digital spatial data base consisting of 18 data layers that can be accessed by a geographic information system was developed for Broward County, Florida. Five computer programs, including one that can be used to create documentation files for each data layer and four that can be used to create data layers from data files not already in geographic information system format, were also developed. Four types of data layers have been developed. Data layers for manmade features include major roads, municipal boundaries, the public land-survey section grid, land use, and underground storage tank facilities. The data layer for topographic features consists of surveyed point land-surface elevations. Data layers for hydrologic features include surface-water and rainfall data-collection stations, surface-water bodies, water-control district boundaries, and water-management basins. Data layers for hydrogeologic features include soil associations, transmissivity polygons, hydrogeologic unit depths, and a finite-difference model grid for south-central Broward County. Each data layer is documented as to the extent of the features, number of features, scale, data sources, and a description of the attribute tables where applicable.

A rapid method for creating qualitative images indicative of thick oil emulsion on the ocean's surface from imaging spectrometer data

USGS Publications Warehouse

Kokaly, Raymond F.; Hoefen, Todd M.; Livo, K. Eric; Swayze, Gregg A.; Leifer, Ira; McCubbin, Ian B.; Eastwood, Michael L.; Green, Robert O.; Lundeen, Sarah R.; Sarture, Charles M.; Steele, Denis; Ryan, Thomas; Bradley, Eliza S.; Roberts, Dar A.; ,

2010-01-01

This report describes a method to create color-composite images indicative of thick oil:water emulsions on the surface of clear, deep ocean water by using normalized difference ratios derived from remotely sensed data collected by an imaging spectrometer. The spectral bands used in the normalized difference ratios are located in wavelength regions where the spectra of thick oil:water emulsions on the ocean's surface have a distinct shape compared to clear water and clouds. In contrast to quantitative analyses, which require rigorous conversion to reflectance, the method described is easily computed and can be applied rapidly to radiance data or data that have been atmospherically corrected or ground-calibrated to reflectance. Examples are shown of the method applied to Airborne Visible/Infrared Imaging Spectrometer data collected May 17 and May 19, 2010, over the oil spill from the Deepwater Horizon offshore oil drilling platform in the Gulf of Mexico.

Hydrology of the Bonneville Salt Flats, northwestern Utah, and simulation of ground-water flow and solute transport in the shallow-brine aquifer

USGS Publications Warehouse

Mason, James L.; Kipp, Kenneth L.

1998-01-01

This report describes the hydrologic system of the Bonneville Salt Flats with emphasis on the mechanisms of solute transport. Variable-density, three-dimensional computer simulations of the near-surface part of the ground-water system were done to quantify both the transport of salt dissolved in subsurface brine that leaves the salt-crust area and the salt dissolved and precipitated on the land surface. The study was designed to define the hydrology of the brine ground-water system and the natural and anthropogenic processes causing salt loss, and where feasible, to quantify these processes. Specific areas of study include the transport of salt in solution by ground-water flow and the transport of salt in solution by wind-driven ponds and the subsequent salt precipitation on the surface of the playa upon evaporation or seepage into the subsurface. In addition, hydraulic and chemical changes in the hydrologic system since previous studies were documented.

Underwater binocular imaging of aerial objects versus the position of eyes relative to the flat water surface.

PubMed

Barta, András; Horváth, Gábor

2003-12-01

The apparent position, size, and shape of aerial objects viewed binocularly from water change as a result of the refraction of light at the water surface. Earlier studies of the refraction-distorted structure of the aerial binocular visual field of underwater observers were restricted to either vertically or horizontally oriented eyes. Here we calculate the position of the binocular image point of an aerial object point viewed by two arbitrarily positioned underwater eyes when the water surface is flat. Assuming that binocular image fusion is performed by appropriate vergent eye movements to bring the object's image onto the foveae, the structure of the aerial binocular visual field is computed and visualized as a function of the relative positions of the eyes. We also analyze two erroneous representations of the underwater imaging of aerial objects that have occurred in the literature. It is demonstrated that the structure of the aerial binocular visual field of underwater observers distorted by refraction is more complex than has been thought previously.

First principles studies on the redox ability of (Ga(1-x)Zn(x))N(1-x)O(x) solid solutions and thermal reactions for H2 and O2 production on their surfaces.

PubMed

Du, Yaojun A; Chen, Yun-Wen; Kuo, Jer-Lai

2013-12-07

The (Ga1-xZnx)N1-xOx solid solution has been emerging as an effective photocatalyst for water splitting utilizing the visible solar spectrum, regarded as a host GaN bulk doped with ZnO impurities. H2 and O2 production occur simultaneously and stoichiometrically on the surface of (Ga1-xZnx)N1-xOx particles. In this work, we characterize the redox ability of (Ga1-xZnx)N1-xOx and find that a solid solution with a ZnO concentration of 0.125 < x < 0.250 is optimal for water splitting. This is consistent with the experimental finding that the maximum photocatalytic activity of (Ga1-xZnx)N1-xOx is achieved at x = 0.13. The thermal reactions of water splitting are modeled on both the GaN and an idealized (Ga1-xZnx)N1-xOx (101[combining macron]0) surface. The computed activation barriers allow us to gain some clues on the efficiency of water splitting on a specific photocatalyst surface. Our results suggest that the non-polar (101[combining macron]0) and polar (0001) surfaces may play different roles in water splitting, i.e., the (101[combining macron]0) surface is responsible for O2 production, while hydroxyl groups could dissociate on the (0001) surface.

An Improved Algorithm for Retrieving Surface Downwelling Longwave Radiation from Satellite Measurements

NASA Technical Reports Server (NTRS)

Zhou, Yaping; Kratz, David P.; Wilber, Anne C.; Gupta, Shashi K.; Cess, Robert D.

2007-01-01

Zhou and Cess [2001] developed an algorithm for retrieving surface downwelling longwave radiation (SDLW) based upon detailed studies using radiative transfer model calculations and surface radiometric measurements. Their algorithm linked clear sky SDLW with surface upwelling longwave flux and column precipitable water vapor. For cloudy sky cases, they used cloud liquid water path as an additional parameter to account for the effects of clouds. Despite the simplicity of their algorithm, it performed very well for most geographical regions except for those regions where the atmospheric conditions near the surface tend to be extremely cold and dry. Systematic errors were also found for scenes that were covered with ice clouds. An improved version of the algorithm prevents the large errors in the SDLW at low water vapor amounts by taking into account that under such conditions the SDLW and water vapor amount are nearly linear in their relationship. The new algorithm also utilizes cloud fraction and cloud liquid and ice water paths available from the Cloud and the Earth's Radiant Energy System (CERES) single scanner footprint (SSF) product to separately compute the clear and cloudy portions of the fluxes. The new algorithm has been validated against surface measurements at 29 stations around the globe for Terra and Aqua satellites. The results show significant improvement over the original version. The revised Zhou-Cess algorithm is also slightly better or comparable to more sophisticated algorithms currently implemented in the CERES processing and will be incorporated as one of the CERES empirical surface radiation algorithms.

Use of upscaled elevation and surface roughness data in two-dimensional surface water models

USGS Publications Warehouse

Hughes, J.D.; Decker, J.D.; Langevin, C.D.

2011-01-01

In this paper, we present an approach that uses a combination of cell-block- and cell-face-averaging of high-resolution cell elevation and roughness data to upscale hydraulic parameters and accurately simulate surface water flow in relatively low-resolution numerical models. The method developed allows channelized features that preferentially connect large-scale grid cells at cell interfaces to be represented in models where these features are significantly smaller than the selected grid size. The developed upscaling approach has been implemented in a two-dimensional finite difference model that solves a diffusive wave approximation of the depth-integrated shallow surface water equations using preconditioned Newton–Krylov methods. Computational results are presented to show the effectiveness of the mixed cell-block and cell-face averaging upscaling approach in maintaining model accuracy, reducing model run-times, and how decreased grid resolution affects errors. Application examples demonstrate that sub-grid roughness coefficient variations have a larger effect on simulated error than sub-grid elevation variations.

Geology and ground-water resources of Fond du Lac County, Wisconsin

USGS Publications Warehouse

Newport, Thomas G.

1962-01-01

The principal water-bearing rocks underlying Fond du Lac County, Wis., are sandstones of Cambrian and Ordovician age and dolomite of Silurian age. Other aquifers include dolomite of Ordovician age and sand. and gravel of Quaternary age. Crystalline rocks of Precambrian age, which underlie all the water-bearing formations, form a practically impermeable basement complex and yield little or no water to wells. Ground water is the source of all public and most private and industrial water supplies in the county. The municipalities and industries obtain water chiefly from wells that penetrate the sandstones of Cambrian and Ordorician age. The Platteville formation and Galena dolomite of Ordovician age and the Niagara dolomite of Silurian age supply water to most domestic and stock wells and to a few industrial wells. Several buried valleys in the bedrock surface contain water-bearing deposits of sand and gravel. The source of the ground water in Fond du Lac County is local precipitation. Recharge to the water-bearing beds occurs in most of the county but is greatest where the bedrock formations are near the surface. Ground water is discharged by seeps and springs, by evaporation and transpiration, and by wells. Ground-water levels in wells fluctuate in response to recharge and to natural discharge and pumping. In areas not affected by pumping, water levels generally decline through the summer months because of natural discharge and lack of recharge, recover slightly in the fall after the first killing frost, decline during the winter, and recover in the spring when recharge is greatest. In areas of heavy pumping, the water levels are lowest in late summer and highest in late winter. Water levels in wells in the Fond du Lac area were about 5 to 50 feet above the land surface in 1885, but they had declined to as low as 185 feet below the land surface by 1957. Coefficients of transmissibility and storage of the sandstones of Cambrian and Ordovician age were determined by making controlled aquifer tests at Fond du Lac. The coefficients were verified by comparing computed water-level declines with actual declines. The computed values were within about 30 percent of the actual values, a reasonable agreement for coefficients of this type. Probable declines of water levels by 1966 were computed, using the same coefficients of transmissibility and storage. If the distribution of wells and the rate of pumping remain the same in 1957-66 as they were in 1956, the water levels will decline about 5 feet more by 1966. If, however, the distribution of pumped wells remains the same but the pumping by the city of Fond du Lac increases at a uniform rate from the 3 mgd (million gallons per day) pumped in 1956 to 5 mgd in 1966, the water levels in 1966 will be at least 60 feet below those of 1956. Dispersal of wells to the northwest toward the recharge area would reduce the water-level declines. The results of pumping tests, of test holes tapping the Niagara dolomite indicate that wells producing at least 200 gpm (gallons per minute) could be developed east of the Niagara escarpment. The ground water in Fond do Lac County is, in general, a hard calcium and magnesium bicarbonate water, which contains excessive iron in some areas.

A conjunctive use hydrologic model for a semi-arid region with irrigated agriculture

NASA Astrophysics Data System (ADS)

Ruud, N. C.; Harter, T.

2003-04-01

A GIS-based sub-basin scale conjunctive use (CU) model is developed for a semi-arid agricultural area in the southern San Joaquin Valley, California. The study area is 2230 square kilometers, and consists of 9114 individual landuse units and 26 water service districts. The CU model consists of three sub-models: 1) a surface water supply (SWS) model, 2) an unsaturated zone water budget (UZWB) model, and 3) a groundwater flow model. The study period is 1970-99. For each modeled surface water channel, the SWS model computes monthly surface water deliveries to each district and conveyance losses due to evaporation and seepage. The UZWB model then calculates the monthly water storage changes in the soil root zone and deep vadose zone of each landuse unit. The UZWB model is driven by surface water applications, precipitation, and crop consumptive use (evapotranspiration) demands. Its outputs are the recharge to the unconfined aquifer and the groundwater pumping demand from the unconfined and confined aquifers. The transient recharge and pumping rates become input for the groundwater flow model which calculates changes in unconfined aquifer water levels and inter-district groundwater fluxes. The groundwater flow model was calibrated against data from 1970-85 and validated with data from 1986-99. From 1970-99, a total of 18500 million cubic meters (MCM) of surface water was applied to land units in the study area. Precipitation added from 219 MCM (1990) to 1200 MCM (1998) annually. The combined total annual agricultural and urban consumptive use ranged from 1070 MCM in 1970 to 1540 MCM in 1999. Total annual channel seepage varied over almost two orders of magnitude from a low of 10 MCM in 1977 to 576 MCM in 1983. Diffuse recharge from surface applied water ranged from 79.9 MCM in 1992 to 432 MCM in 1983. The estimated total pumping ranged from 183 MCM in 1978 to 703 MCM in 1990. As expected, pumping was heaviest during the droughts of 1975-77 and 1987-92, and lightest during the wet years of 1973, 1978, 1982-83, 1995, and 1998. The study area cumulative annual groundwater storage changes were computed by the CU model and compared against those of the water-table fluctuation (WTF) method. Relative to 1970, the maximum groundwater accumulation occurred in 1987 with the WTF method and the CU model estimating positive storage changes of 1410 MCM and 1110 MCM. The maximum groundwater overdraft (storage depletion) occurred in 1993 with the WTF method and the CU model estimating negative storage changes of 1990 MCM and 1500 MCM. Annual inter-district net groundwater fluxes ranged from negligibly small (<0.123 MCM) to as much as 98.7 MCM between some of the larger districts.

Using the electrochemical dimension to build water/Ru(0001) phase diagram

NASA Astrophysics Data System (ADS)

Lespes, Nicolas; Filhol, Jean-Sébastien

2015-01-01

The water monolayer/Ru(0001) electrochemical phase diagram as a function of surface potential and temperature is built using a DFT approach. The monolayer structure with temperature is extracted following the zero-charge line in good agreement with experiments. Below 140 K, a mix of oppositely charged hydroxyl/water and hydride/water domains is found stable; above 140 K, water molecules desorb from the hydride phase leading to a mixture of oppositely charged surface hydride and hydroxyl/water phases; above 280 K, all the residual adsorbed water desorbs. For undissociated water, a Chain structure is found stable and desorbs above 150 K. The observed nano-sized domains are suggested to be the balance between hydroxyl/hydride repulsion that tends to create two well separated domains and opposite charging that tends to favor a domain mix. An isotopic effect is computed to reduce by a factor of 160 the kinetic rate of D2O dissociation (compared to H2O) and is linked to the reduction of the ZPE in the transition state caused by a proton transport chain. Water monolayer/Ru(0001) has a specific reactivity and its organization is highly sensitive to the surface potential suggesting that under electrochemical conditions, the potential is not only tuning directly the chemical reactivity but also indirectly through the solvent structure.

Assimilation of GRACE Terrestrial Water Storage Data into a Land Surface Model: Results for the Mississippi River Basin

NASA Technical Reports Server (NTRS)

Zaitchik, Benjamin F.; Rodell, Matthew; Reichle, Rolf H.

2007-01-01

NASA's GRACE mission has the potential to be extremely valuable for water resources applications and global water cycle research. What makes GRACE unique among Earth Science satellite systems is that it is able to monitor variations in water stored in all forms, from snow and surface water to soil moisture to groundwater in the deepest aquifers. However, the space and time resolutions of GRACE observations are coarse. GRACE typically resolves water storage changes over regions the size of Nebraska on a monthly basis, while city-scale, daily observations would be more useful for water management, agriculture, and weather prediction. High resolution numerical (computer) hydrology models have been developed, which predict the fates of water and energy after they strike the land surface as precipitation and sunlight. These are similar to weather and climate forecast models, which simulate atmospheric processes. We integrated the GRACE observations into a hydrology model using an advanced technique called data assimilation. The results were new estimates of groundwater, soil moisture, and snow variations, which combined the veracity of GRACE with the high resolution of the model. We tested the technique over the Mississippi River basin, but it will be even more valuable in parts of the world which lack reliable data on water availability.

Development of an improved model for runback water on aircraft surfaces

NASA Technical Reports Server (NTRS)

Al-Khalil, Kamel M.; Keith, Theo G., Jr.; De Witt, Kenneth J.

1992-01-01

A computer simulation for 'running wet' and evaporative aircraft anti-icing systems is developed. The model is based on the analysis of the liquid water film which forms in the regions of direct impingement and, then, breaks up near the impingement limits into rivulets. The wetness factor distribution resulting from the film breakup and the rivulet configuration on the surface are predicted using a stability analysis theory and the laws of mass energy conservation. The solid structure is modeled as a multiple layer wall. The anti-icing system modeled is of the thermal type utilizing hot air and/or electrical heating elements embedded within the wall layers. Experimental observations revealing some of the basic physics of the water flow on the surface are presented. Detailed qualitative documentation of the tests are given. Several numerical examples are considered, and the effect of some of the involved parameters on the system performance are investigated.

Simulating the evolution of non-point source pollutants in a shallow water environment.

PubMed

Yan, Min; Kahawita, Rene

2007-03-01

Non-point source pollution originating from surface applied chemicals in either liquid or solid form as part of agricultural activities, appears in the surface runoff caused by rainfall. The infiltration and transport of these pollutants has a significant impact on subsurface and riverine water quality. The present paper describes the development of a unified 2-D mathematical model incorporating individual models for infiltration, adsorption, solubility rate, advection and diffusion, which significantly improve the current practice on mathematical modeling of pollutant evolution in shallow water. The governing equations have been solved numerically using cubic spline integration. Experiments were conducted at the Hydrodynamics Laboratory of the Ecole Polytechnique de Montreal to validate the mathematical model. Good correspondence between the computed results and experimental data has been obtained. The model may be used to predict the ultimate fate of surface applied chemicals by evaluating the proportions that are dissolved, infiltrated into the subsurface or are washed off.

Stormwater-runoff data for a multifamily residential area, Dade County, Florida

USGS Publications Warehouse

Hardee, Jack; Mattraw, H.C.; Miller, Robert A.

1979-01-01

Rainfall, stormwater discharge, and water-quality data for a multifamily residential area in Dade County, Florida, are summarized. Loads for 19 water-quality constituents were computed for runoff from 16 storms from May 1977 through June 1978. The 14.7 acre basin contains apartment buildings with adjacent parking lots. The total surface area consists of 70.7 percent impervious material. (Kosco-USGS)

TOPAZ-2 reactor distribution during descent in the atmosphere and at the impact with the Earth surface

NASA Astrophysics Data System (ADS)

Grinberg, Eduard I.; Nikolaev, Vadim S.; Sokolov, Nikolai A.; Doschatov, Vitaly V.; Usov, Veniamin A.; Gulidov, Aleksander I.

1995-01-01

The paper presents results of more accurate computational analysis of the TOPAZ-2 system reactor core aerodynamic disruption at an inadvertent reentry. Given are preliminary results on the pattern of disruption of the core partially burnt during its descent in the atmosphere at its impact on the surface of water and sandstone (medium density concrete).

Overdetermined shooting methods for computing standing water waves with spectral accuracy

NASA Astrophysics Data System (ADS)

Wilkening, Jon; Yu, Jia

2012-01-01

A high-performance shooting algorithm is developed to compute time-periodic solutions of the free-surface Euler equations with spectral accuracy in double and quadruple precision. The method is used to study resonance and its effect on standing water waves. We identify new nucleation mechanisms in which isolated large-amplitude solutions, and closed loops of such solutions, suddenly exist for depths below a critical threshold. We also study degenerate and secondary bifurcations related to Wilton's ripples in the traveling case, and explore the breakdown of self-similarity at the crests of extreme standing waves. In shallow water, we find that standing waves take the form of counter-propagating solitary waves that repeatedly collide quasi-elastically. In deep water with surface tension, we find that standing waves resemble counter-propagating depression waves. We also discuss the existence and non-uniqueness of solutions, and smooth versus erratic dependence of Fourier modes on wave amplitude and fluid depth. In the numerical method, robustness is achieved by posing the problem as an overdetermined nonlinear system and using either adjoint-based minimization techniques or a quadratically convergent trust-region method to minimize the objective function. Efficiency is achieved in the trust-region approach by parallelizing the Jacobian computation, so the setup cost of computing the Dirichlet-to-Neumann operator in the variational equation is not repeated for each column. Updates of the Jacobian are also delayed until the previous Jacobian ceases to be useful. Accuracy is maintained using spectral collocation with optional mesh refinement in space, a high-order Runge-Kutta or spectral deferred correction method in time and quadruple precision for improved navigation of delicate regions of parameter space as well as validation of double-precision results. Implementation issues for transferring much of the computation to a graphic processing units are briefly discussed, and the performance of the algorithm is tested for a number of hardware configurations.

Towards an estimation of water masses formation areas from SMOS-based TS diagrams

NASA Astrophysics Data System (ADS)

Klockmann, Marlene; Sabia, Roberto; Fernandez-Prieto, Diego; Donlon, Craig; Font, Jordi

2014-05-01

Temperature-Salinity (TS) diagrams emphasize the mutual variability of ocean temperature and salinity values, relating them to the corresponding density. Canonically used in oceanography, they provide a means to characterize and trace ocean water masses. In [1], a first attempt to estimate surface-layer TS diagrams based on satellite measurements has been performed, profiting from the recent availability of spaceborne salinity data. In fact, the Soil Moisture and Ocean Salinity (SMOS, [2]) and the Aquarius/SAC-D [3] satellite missions allow to study the dynamical patterns of Sea Surface Salinity (SSS) for the first time on a global scale. In [4], given SMOS and Aquarius salinity estimates, and by also using Sea Surface Temperature (SST) from the Operational Sea Surface Temperature and Sea Ice Analysis (OSTIA, [5]) effort, experimental satellite-based TS diagrams have been routinely derived for the year 2011. They have been compared with those computed from ARGO-buoys interpolated fields, referring to a customised partition of the global ocean into seven regions, according to the water masses classification of [6]. In [7], moreover, besides using TS diagrams as a diagnostic tool to evaluate the temporal variation of SST and SSS (and their corresponding density) as estimated by satellite measurements, the emphasis was on the interpretation of the geographical deviations with respect to the ARGO baseline (aiming at distinguishing between the SSS retrieval errors and the additional information contained in the satellite data with respect to ARGO). In order to relate these mismatches to identifiable oceanographic structures and processes, additional satellite datasets of ocean currents, evaporation/precipitation fluxes, and wind speed have been super-imposed. Currently, the main focus of the study deals with the exploitation of these TS diagrams as a prognostic tool to derive water masses formation areas. Firstly, following the approach described in [8], the surface density flux (i.e., the change in density induced by surface heat and freshwater fluxes) is computed, characterizing how the buoyancy of a water parcel is being transformed, by increasing or decreasing its density. Afterwards, integrating over a certain time/space and deriving with respect to density, the formation (in Sv) of water masses themselves can be computed, pinpointing the range of SST and SSS in the TS diagrams where a specific water mass is formed. A geographical representation of these points, ultimately, allows to provide a relevant temporal series of the spatial extent of the water masses formation areas (in the specific test zones chosen). This can be then extended over challenging ocean regions, also evaluating the sensitivity of the performances to the datasets used. With this approach, known water masses can be identified and their formation traced in time and space. Longer time series will give further insights by helping to identify inter-annual water mass formation variability and trends in the TS/geographical domains. Future work aims at exploring additional datasets and at connecting the surface information to the vertical structure and to buoyancy-driven ocean circulation processes. References [1] Sabia, R., J. Ballabrera, G. Lagerloef, E. Bayler, M. Talone, Y. Chao, C. Donlon, D. Fernández-Prieto, J. Font, "Derivation of an Experimental Satellite-based T-S Diagram", In Proceedings of IGARSS '12 , Munich, Germany, pp. 5760-5763, 2012. [2] Font, J., A. Camps, A. Borges, M. Martín-Neira, J. Boutin, N. Reul, Y. H. Kerr, A. Hahne, and S. Mecklenburg, "SMOS: The challenging sea surface salinity measurement from space," Proceedings of the IEEE, vol. 98, pp. 649-665, 2010. [3] Le Vine, D.M.; Lagerloef, G.S.E.; Torrusio, S.E.; "Aquarius and Remote Sensing of Sea Surface Salinity from Space," Proceedings of the IEEE , vol.98, no.5, pp.688-703, May 2010, doi: 10.1109/JPROC.2010.2040550. [4] Sabia, R., M. Klockmann, D. Fernández-Prieto, C. Donlon, E. Bayler, J. Font, G. Lagerloef, "Satellite-based T/S Diagrams and Surface Ocean Water Masses", SMOS-Aquarius Science Workshop, Brest, France, April 2013. [5] Donlon, C. J., M. Martin, J. D. Stark, J. Roberts-Jones, E. Fiedler and W. Wimmer, "The Operational Sea Surface Temperature and Sea Ice analysis (OSTIA)", Remote Sensing of the Environment. doi: 10.1016/j.rse.2010.10.017 2011. [6] Emery, W. J., "Water Types and Water Masses", Ocean Circulation, Elsevier science, pp 1556-1567, 2003. [7] Sabia, R., M. Klockmann, C. Donlon, D. Fernández-Prieto, M. Talone, J. Ballabrera, "Satellite-based T-S Diagrams: a prospective diagnostic tool to trace ocean water masses", Living Planet Symposium 2013, Edinburgh, UK, September 2013. [8] Speer, K., E. Tzipermann, "Rates of Water Mass Transformation in the North Atlantic", Journal of Physical Oceanography, 22, 93 - 104, 1992.

Evaporation rate of water in hydrophobic confinement.

PubMed

Sharma, Sumit; Debenedetti, Pablo G

2012-03-20

The drying of hydrophobic cavities is believed to play an important role in biophysical phenomena such as the folding of globular proteins, the opening and closing of ligand-gated ion channels, and ligand binding to hydrophobic pockets. We use forward flux sampling, a molecular simulation technique, to compute the rate of capillary evaporation of water confined between two hydrophobic surfaces separated by nanoscopic gaps, as a function of gap, surface size, and temperature. Over the range of conditions investigated (gaps between 9 and 14 Å and surface areas between 1 and 9 nm(2)), the free energy barrier to evaporation scales linearly with the gap between hydrophobic surfaces, suggesting that line tension makes the predominant contribution to the free energy barrier. The exponential dependence of the evaporation rate on the gap between confining surfaces causes a 10 order-of-magnitude decrease in the rate when the gap increases from 9 to 14 Å. The computed free energy barriers are of the order of 50 kT and are predominantly enthalpic. Evaporation rates per unit area are found to be two orders of magnitude faster in confinement by the larger (9 nm(2)) than by the smaller (1 nm(2)) surfaces considered here, at otherwise identical conditions. We show that this rate enhancement is a consequence of the dependence of hydrophobic hydration on the size of solvated objects. For sufficiently large surfaces, the critical nucleus for the evaporation process is a gap-spanning vapor tube.

Spacebased Observation of Water Balance Over Global Oceans

NASA Astrophysics Data System (ADS)

Liu, W.; Xie, X.

2008-12-01

We demonstrated that ocean surface fresh water flux less the water discharge into the ocean from river and ice melt balances the mass loss in the ocean both in magnitude and in the phase of annual variation. The surface water flux was computed from the divergence of the water transport integrated over the depth of the atmosphere. The atmospheric water transport is estimated from the precipitable water measured by Special Sensor Microwave Imager, the surface wind vector by QuikSCAT, and the NOAA cloud drift wind through a statistical model. The transport has been extensively validated using global radiosonde and data and operational numerical weather prediction results. Its divergence has been shown to agree with the difference between evaporation estimated from the Advanced Microwave Scanning Radiometer data and the precipitation measured by Tropical Rain Measuring Mission over the global tropical and subtropical oceans both in magnitude and geographical distribution for temporal scales ranging from intraseasonal to interannual. The water loss rate in the ocean is estimated by two methods, one is from Gravity Recovery and Climate Experiment and the other is by subtracting the climatological steric change from the sea level change measured by radar altimeter on Jason. Only climatological river discharge and ice melt from in situ measurements are available and the lack of temporal variation may contribute to discrepancies in the balance. We have successfully used the spacebased surface fluxes to estimate to climatological mean heat transport in the Atlantic ocean and is attempting to estimate the meridional fresh water (or salt) transport from the surface flux. The approximate closure of the water balance gives a powerful indirect validation of the spacebased products.

On Laminar to Turbulent Transition of Arc-Jet Flow in the NASA Ames Panel Test Facility

NASA Technical Reports Server (NTRS)

Gokcen, Tahir; Alunni, Antonella I.

2012-01-01

This paper provides experimental evidence and supporting computational analysis to characterize the laminar to turbulent flow transition in a high enthalpy arc-jet facility at NASA Ames Research Center. The arc-jet test data obtained in the 20 MW Panel Test Facility include measurements of surface pressure and heat flux on a water-cooled calibration plate, and measurements of surface temperature on a reaction-cured glass coated tile plate. Computational fluid dynamics simulations are performed to characterize the arc-jet test environment and estimate its parameters consistent with the facility and calibration measurements. The present analysis comprises simulations of the nonequilibrium flowfield in the facility nozzle, test box, and flowfield over test articles. Both laminar and turbulent simulations are performed, and the computed results are compared with the experimental measurements, including Stanton number dependence on Reynolds number. Comparisons of computed and measured surface heat fluxes (and temperatures), along with the accompanying analysis, confirm that that the boundary layer in the Panel Test Facility flow is transitional at certain archeater conditions.

Infiltration and soil erosion modelling on Lausatian post mine sites

NASA Astrophysics Data System (ADS)

Kunth, Franziska; Schmidt, Jürgen

2013-04-01

Land management of reclaimed lignite mine sites requires long-term and safe structuring of recultivation areas. Erosion by water leads to explicit soil losses, especially on heavily endangered water repellent and non-vegetated soil surfaces. Beyond that, weathering of pyrite-containing lignite burden dumps causes sulfuric acid-formation, and hence the acidification of groundwater, seepage water and surface waters. Pyrite containing sediment is detached by precipitation and transported into worked-out open cuts by draining runoff. In addition to ground water influence, erosion processes are therefore involved in acidification of surface waters. A model-based approach for the conservation of man-made slopes of post mining sites is the objective of this ongoing study. The study shall be completed by modeling of the effectiveness of different mine site recultivation scenarios. Erosion risks on man-made slopes in recultivation areas should be determined by applying the physical, raster- and event based computer model EROSION 2D/3D (Schmidt, 1991, 1992; v. Werner, 1995). The widely used erosion model is able to predict runoff as well as detachment, transport and deposition of sediments. Lignite burden dumps contain hydrophobic substances that cover soil particles. Consequently, these soils show strong water repellency, which influences the processes of infiltration and soil erosion on non-vegetated, coal containing dump soils. The influence of water repellency had to be implemented into EROSION 2D/3D. Required input data for soil erosion modelling (e.g. physical soil parameters, infiltration rates, calibration factors, etc.) were gained by soil sampling and rainfall experiments on non-vegetated as well as recultivated reclaimed mine sites in the Lusatia lignite mining region (southeast of Berlin, Germany). The measured infiltration rates on the non-vegetated water repellent sites were extremely low. Therefore, a newly developed water repellency-factor was applied to depict infiltration and erosion processes on water repellent dump soils. For infiltration modelling with EROSION 2D calibration factors (e.g. water repellency factor, skin-factor, etc.) were determined in different steps by calibrating computer modelled infiltration, respectively volume rate of flow to the measured data.

Development of an Integrated Modeling Framework for Simulations of Coastal Processes in Deltaic Environments Using High-Performance Computing

DTIC Science & Technology

2009-01-01

attenuation and mass transport of a water -mud system due to a solitary wave on the free surface has been modeled by using the Chebyshev-Chebyshev...in Lagrangian coordinates and perturbation equations for shallow water waves were 3 derived. An iteration-by-subdomain technique was introduced to...found. Although the model is focused on solitary waves and Newtonian fluid-mud, the methodology can be extended to oscillatory, nonlinear water waves

USERS MANUAL FOR HYDROLOGICAL SIMULATION PROGRAM - FORTRAN (HSPF)

EPA Science Inventory

The Hydrological Simulation Program--Fortran (HSPF) is a set of computer codes that can simulate the hydrologic, and associated water quality, processes on pervious and impervious land surfaces and in streams and well-mixed impoundments. The manual discusses the modular structure...

NHDPlusHR: A national geospatial framework for surface-water information

USGS Publications Warehouse

Viger, Roland; Rea, Alan H.; Simley, Jeffrey D.; Hanson, Karen M.

2016-01-01

The U.S. Geological Survey is developing a new geospatial hydrographic framework for the United States, called the National Hydrography Dataset Plus High Resolution (NHDPlusHR), that integrates a diversity of the best-available information, robustly supports ongoing dataset improvements, enables hydrographic generalization to derive alternate representations of the network while maintaining feature identity, and supports modern scientific computing and Internet accessibility needs. This framework is based on the High Resolution National Hydrography Dataset, the Watershed Boundaries Dataset, and elevation from the 3-D Elevation Program, and will provide an authoritative, high precision, and attribute-rich geospatial framework for surface-water information for the United States. Using this common geospatial framework will provide a consistent basis for indexing water information in the United States, eliminate redundancy, and harmonize access to, and exchange of water information.

Water resources data for Indiana, 1965

USGS Publications Warehouse

,

1965-01-01

The surface-water records for the 1965 water year for gaging stations, partial-record stations, and miscellaneous sites within the State of Indiana are given in this report. For convenience there are also included records for a few pertinent gaging stations in bordering States. The records were collected and computed by the Water Resources Division of the U.S. Geological Survey, under the direction of Malcolm D. Hale, district engineer, Surface Water Branch. This report marks the beginning of a new method of presenting, annually, basic data on surface-water records by States. Through September 30, 1960, the records of discharge and stage of streams and contents and stage of lakes or reservoirs were published in an annual series of U.S. Geological Survey water-supply papers entitled "Surface Water Supply of the United States." Since 1951 there have been 20 volumes in the series; each volume covered an area whose boundaries coincided with those of certain natural drainage areas. The records in Indiana were contained in Parts 3A, 4 and 5 of that series. Beginning with the 1961 water year, streamflow records and related data will be released by the Geological Survey in annual reports on a State-boundary basis. Distribution of these basic-data reports will be limited and primarily for local needs. The records later will be published in Geological Survey water-supply papers at 5-year intervals. These 5-year water-supply papers will show daily discharge and will be compiled on the same geographical areas previously used for the annual series; however, some of the 14 parts of coterminous United States will be further subdivided.

Water resources data for Michigan, water year 1972; Part 1, Surface water records

USGS Publications Warehouse

,

1973-01-01

Surface-water records for the 1972 water year for gaging stations, partial-record stations, and miscellaneous sites within the State of Michigan are given in this report. For convenience there are also included records for a few pertinent gaging stations in bordering States. The records were collected and computed by the Water Resources Division of the U.S. Geological Survey, under the direction of T. R. Cummings, district chief. These data represent that portion of the National Water Data System collected by the U.S. Geological Survey and cooperating State and Federal agencies in Michigan. Records of discharge and stage of streams, and contents and stage of lakes or reservoirs are published in a series of U.S. Geological Survey water-supply papers entitled "Surface Water Supply of the United States". Through September 30, 1960, these water-supply papers were in an annual series and since then are in a 5-year series. Since 1951 there have been 20 volumes in the series; each volume covered an area whose boundaries coincided with those of certain natural drainage areas. The records in Michigan were contained in Part 4 of that series. Beginning with the 1961 water year, streamflow records and related data have been released by the Geological Survey in annual reports on a State-boundary basis. Distribution of these basic-data reports is limited and primarily for local needs.

Water resources data for Michigan, water year 1971; Part 1, Surface water records

USGS Publications Warehouse

,

1972-01-01

Surface-water records for the 1971 water year for gaging stations, partial-record stations, and miscellaneous sites within the State of Michigan are given in this report. For convenience there are also included records for a few pertinent gaging stations in bordering States. The records were collected and computed by the Water Resources Division of the U.S. Geological Survey, under the direction of T. R. Cummings, district chief. These data represent that portion of the National Water Data System collected by the U.S. Geological Survey and cooperating State and Federal agencies in Michigan. Records of discharge and stage of streams, and contents and stage of lakes or reservoirs are published in a series of U.S. Geological Survey water-supply papers entitled "Surface Water Supply of the United States." Through September 30, 1960, these water-supply papers were in an annual series and since then are in a 5-year series. Since 1951 there have been 20 volumes in the series; each volume covered an area whose boundaries coincided with those of certain natural drainage areas. The records in Michigan were contained in Part 4 of that series. Beginning with the 1961 water year, streamflow records and related data have been released by the Geological Survey in annual reports on a State-boundary basis. Distribution of these basic-data reports is limited and primarily for local needs.

Water resources data for Michigan, water year 1973; Part 1, Surface water records

USGS Publications Warehouse

,

1974-01-01

Surface-water records for the 1973 water year for gaging stations, partial-record stations, and miscellaneous sites within the State of Michigan are given in this report. For convenience there are also included records for a few pertinent gaging stations in bordering States. The records were collected and computed by the Water Resources Division of the U.S. Geological Survey, under the direction of T.R. Cummings, district chief. These data represent that portion of the National Water Data System collected by the U.S. Geological Survey and cooperating State and Federal agencies in Michigan. Records of discharge and stage of streams, and contents and stage of lakes or reservoirs are published in a series of U.S. Geological Survey water-supply papers entitled "Surface Water Supply of the United States". Through September 30, 1960, these water-supply papers were in an annual series and since then are in a 5-year series. Since 1951 there have been 20 volumes in the series; each volume covered an area whose boundaries coincided with those of certain natural drainage areas. The records in Michigan are contained in Part 4 of that series. Beginning with the 1961 water year, streamflow records and related data have been released by the Geological Survey in annual reports on a State-boundary basis. Distribution of these basic-data reports is limited and primarily for local needs.

Description and field analysis of a coupled ground-water/surface-water flow model (MODFLOW/BRANCH) with modifications for structures and wetlands in southern Dade County, Florida

USGS Publications Warehouse

Swain, E.D.; Howie, Barbara; Dixon, Joann

1996-01-01

A coupled surface-water model (BRANCH) and ground-water model (MODFLOW) model were tested to simulate the interacting wetlands/surface-water/ ground-water system of southern Dade County. Several options created for the MODFLOW ground- ground-water model were used in representing this field situation. The primary option is the MODBRANCH interfacing software, which allows leakage to be accounted for between the MODFLOW ground-water model and the BRANCH dynamic model for simulation of flow in an interconnected network of open channels. A modification to an existing software routine, which is referred to as BCF2, allows cells in MODFLOW to rewet when dry--a requirement in representing the seasonal wetlands in Dade County. A companion to BCF2 is the modified evapotranspiration routine EVT2. The EVT2 routine changes the cells where evapotranspiration occurs, depending on which cells are wet. The Streamlink package represents direct connections between the canals and wetlands at locations where canals open directly into overland flow. Within the BRANCH model, the capability to represent the numerous hydraulic structures, gated spillways, gated culverts, and pumps was added. The application of these modifications to model surface-water/ground-water interactions in southern Dade County demonstrated the usefulness of the coupled MODFLOW/BRANCH model. Ground-water and surface-water flows are both simulated with dynamic models. Flow exchange between models, intermittent wetting and drying, evapotranspiration, and hydraulic structure operations are all represented appropriately. Comparison was made with a simulation using the RIV1 package instead of MODBRANCH to represent the canals. RIV1 represents the canals by user-defined stages, and computes leakage to the aquifer. Greater accuracy in reproducing measured ground- water heads was achieved with MODBRANCH, which also computes dynamic flow conditions in the canals, unlike RIV1. The surface-water integrated flow and transport two-dimensional model (SWIFT2D) was also applied to the southeastern coastal wetlands for comparison with the wetlands flow approximation made in MODFLOW. MODFLOW simulates the wetlands as a highly conductive upper layer of the aquifer, whereas SWIFT2D solves the hydrodynamic equations. Comparison in this limited test demonstrated no specific advantage for either method of representation. However, much additional testing on a wider variety of geometric and hydraulic situations, such as in areas with greater tidal or other dynamic forcing effects, is needed to make definite conclusions. A submodel of the existing southern Dade County model schematization was used to examine water-delivery alternatives proposed by the U.S. Army Corps of Engineers. For this application, the coupled MODFLOW/BRANCH model was used as a design tool. A new canal and several pumps to be tested to maintain lower water levels in a residential area (while water levels in the Everglades are raised) were added to the model schematization. The pumps were assumed to have infinite supply capacity in the model so that their maximum pumping rates during the simulation could be used to determine pump sizes.

On the hydration of subnanometric antifouling organosilane adlayers: a molecular dynamics simulation.

PubMed

Sheikh, Sonia; Blaszykowski, Christophe; Nolan, Robert; Thompson, Damien; Thompson, Michael

2015-01-01

The connection between antifouling and surface hydration is a fascinating but daunting question to answer. Herein, we use molecular dynamics (MD) computer simulations to gain further insight into the role of surface functionalities in the molecular-level structuration of water (surface kosmotropicity)--within and atop subnanometric organosilane adlayers that were shown in previous experimental work to display varied antifouling behavior. Our simulations support the hypothesized intimate link between surface hydration and antifouling, in particular the importance of both internal and interfacial hydrophilicity and kosmotropicity. The antifouling mechanism is also discussed in terms of surface dehydration energy and water dynamicity (lability and mobility), notably the crucial requirement for clustered water molecules to remain tightly bound for extensive periods of time--i.e. exhibit slow exchange dynamics. A substrate effect on surface hydration, which would also participate in endowing antifouling adlayers with hydrogel-like characteristics, is also proposed. In contrast, the role of adlayer flexibility, if any, is assigned a secondary role in these ultrathin structures made of short building blocks. The conclusions from this work are well in line with those previously drawn in the literature. Copyright © 2014 Elsevier Inc. All rights reserved.

Flood Inundation Mapping and Management using RISAT-1 derived Flood Inundation Areas, Cartosat-1 DEM and a River Flow Model

NASA Astrophysics Data System (ADS)

Kuldeep, K.; Garg, P. K.; Garg, R. D.

2017-12-01

The frequent occurrence of repeated flood events in many regions of the world causing damage to human life and property has augmented the need for effective flood risk management. Microwave satellite data is becoming an indispensable asset for monitoring of many environmental and climatic applications as numerous space-borne synthetic aperture radar (SAR) sensors are offering the data with high spatial resolutions and multi-polarization capabilities. The implementation and execution of Flood mapping, monitoring and management applications has become easier with the availability of SAR data which has obvious advantages over optical data due to its all weather, day and night capabilities. In this study, the exploitation of the SAR dataset for hydraulic modelling and disaster management has been highlighted using feature extraction techniques for water area identification and water level extraction within the floodplain. The availability of high precision digital elevation model generated from the Cartosat-1 stereo pairs has enhanced the capability of retrieving the water depth maps by incorporating the SAR derived flood extent maps. This paper illustrates the flood event on June 2013 in Yamuna River, Haryana, India. The water surface profile computed by combining the topographic data with the RISAT-1 data accurately reflects the true water line. Water levels that were computed by carrying out the modelling using hydraulic model in HECRAS also suggest that the water surface profiles provided by the combined use of topographic data and SAR accurately reflect the true water line. The proposed approach has also been found better in extraction of inundation within vegetated areas.

On the use of airborne LiDAR for braided river monitoring and water surface delineation

NASA Astrophysics Data System (ADS)

Vetter, M.; Höfle, B.; Pfeifer, N.; Rutzinger, M.; Stötter, J.

2009-04-01

Airborne LiDAR is an established technology for Earth surface surveying. With LiDAR data sets it is possible to derive maps with different land use classes, which are important for hydraulic simulations. We present a 3D point cloud based method for automatic water surface delineation using single as well as multitemporal LiDAR data sets. With the developed method it is possible to detect the location of the water surface with high planimetric accuracy. The multitemporal analysis of different LiDAR data sets makes it possible to visualize, monitor and quantify the changes of the flow path of braided rivers as well as derived water surface land use classes. The reflection properties from laser beams (1064 nm wavelength) on water surfaces are characterized by strong absorption or specular reflection resulting in a dominance of low signal amplitude values and a high number of laser shot dropouts (i.e. non-recorded laser echoes). The occurrence of dropouts is driven by (i) the incidence angle, (ii) the surface reflectance and (iii) the roughness of the water body. The input data of the presented delineation method are the modeled dropouts and the point cloud attributes of geometry and signal amplitude. A terrestrial orthophoto is used to explore the point cloud in order to find proper information about the geometry and amplitude attributes that are characteristic for water surfaces. The delineation method is divided into five major steps. (a) We compute calibrated amplitude values by reducing the atmospheric, topographic influences and the scan geometry for each laser echo. (b) Then, the dropouts are modeled by using the information from the time stamps, the pulse repetition frequency, the inertial measurement unit and the GPS information of the laser shots and the airplane. The next step is to calculate the standard deviation of the heights for all reflections and all modeled dropouts (c) in a specific radius around the points. (d) We compute the amplitude ratio density for all shots. The amplitude density ratio is the relation between the number of laser echoes having an amplitude within a specific interval (i.e. very low amplitudes) plus the dropouts (i.e. with amplitude of zero) divided by the number of all laser shots in a fixed search distance of a point. (e) We classify each point in water or a non-water by using the attributes of (i) the standard deviation of the height and (ii) the amplitude density ratio. For validation, a terrestrial orthophoto is used, which was taken at the same time as the laser campaign. A major advantage of this new approach is the ability of a point cloud based delineation of water and non-water areas. We demonstrate the results at the glacier forefield of the Hintereisferner (Ötztal, Tyrol, Austria) with multitemporal data sets. The multitemporal analysis demonstrates the strength of the delineation method for mapping the watercourse and monitoring the changes in the flow path of the braided river between the different epochs.

Derivation of scaled surface reflectances from AVIRIS data

NASA Technical Reports Server (NTRS)

Gao, Bo-Cai; Heidebrecht, Kathleen B.; Goetz, Alexander F. H.

1993-01-01

A method for retrieving 'scaled surface reflectances' assuming horizontal surfaces having Lambertian reflectances from spectral data collected by Airborne Visible/Infrared Imaging Spectrometer (AVIRIS) is presented here. In this method, the integrated water vapor amount on a pixel by pixel basis is derived from the 0.94 micron and 1.14 micron water vapor absorption features. The transmission spectra of H2O, CO2, O3, N2O, CO, CH4, and O2 in the 0.4-2.5 micron region are simulated. The scattering effect due to atmospheric molecules and aerosols is modeled with the 5S computer code. The AVIRIS radiances are divided by solar irradiances above the atmosphere to obtain the apparent reflectances. The scaled surface reflectances are derived from the apparent reflectances using the simulated atmospheric gaseous transmittances and the simulated molecular and aerosol scattering data. The scaled surface reflectances differ from the real surface reflectances by a multiplicative factor. In order to convert the scaled surface reflectances into real surface reflectances, the slopes and aspects of the surfaces must be known.

A hybrid finite-difference and analytic element groundwater model

USGS Publications Warehouse

Haitjema, Henk M.; Feinstein, Daniel T.; Hunt, Randall J.; Gusyev, Maksym

2010-01-01

Regional finite-difference models tend to have large cell sizes, often on the order of 1–2 km on a side. Although the regional flow patterns in deeper formations may be adequately represented by such a model, the intricate surface water and groundwater interactions in the shallower layers are not. Several stream reaches and nearby wells may occur in a single cell, precluding any meaningful modeling of the surface water and groundwater interactions between the individual features. We propose to replace the upper MODFLOW layer or layers, in which the surface water and groundwater interactions occur, by an analytic element model (GFLOW) that does not employ a model grid; instead, it represents wells and surface waters directly by the use of point-sinks and line-sinks. For many practical cases it suffices to provide GFLOW with the vertical leakage rates calculated in the original coarse MODFLOW model in order to obtain a good representation of surface water and groundwater interactions. However, when the combined transmissivities in the deeper (MODFLOW) layers dominate, the accuracy of the GFLOW solution diminishes. For those cases, an iterative coupling procedure, whereby the leakages between the GFLOW and MODFLOW model are updated, appreciably improves the overall solution, albeit at considerable computational cost. The coupled GFLOW–MODFLOW model is applicable to relatively large areas, in many cases to the entire model domain, thus forming an attractive alternative to local grid refinement or inset models.

Water resources data for Kansas, water year 1972; Part 1, Surface water records

USGS Publications Warehouse

Thompson, M.L.; Curtis, R. E.

1973-01-01

Surface-water records for the 1972 water year for Kansas, including records of streamflow or reservoir storage at gaging stations and partial-record stations, are given in this report. The locations of the stations are on figures 1 and 2. Records for a few pertinent gaging stations in bordering States also are included. These data represent that part of the National Water Data System collected by the U. S. Geological Survey and cooperating State and Federal agencies in Kansas. The records were collected and computed by the Water Resources Division of the U. S. Geological Survey under the direction of C. W. Lane, district chief. Kansas district personnel who contributed significantly to the collection and preparation of data included in this report were: J. L. Ebling, C. 0. Geiger, K. D. Medina, L. E. Stuliken, C. 0. Peek, J. D. Craig, L. L. Jones, A. T. Klamm, J. P. Marshall, C. W. Kennedy, W. J. Carswell, D. L. Lacock, G. G. Quy II, J. T. Religa, R. D. Thomas, S. V. Bond, S. T. Green, C. G. Sauer, A. B. Evans, A. F. Browning, M. J. Goetz, M. L. Penny, and M. Pabst.Through September 30, 1960, the records of discharge and stage of streams and canals and contents and stage of lakes or reservoirs were published in an annual series of U. S. Geological Survey water-supply papers entitled "Surface Water Supply of the United States."Beginning with the 1961 water year, surface-water records have been released by the Geological Survey in annual reports on a State-boundary basis. Distribution of these reports is limited; they are designed primarily for rapid release of data shortly after the end of the water year to meet local needs. The discharge and reservoir storage records for 1961-65 also have been published in a Geological Survey water-supply paper series entitled "Surface Water Supply of the United States 1961-65."

Water resources data for Kansas, water year 1973; Part 1, Surface water records

USGS Publications Warehouse

Thompson, M.L.; Curtis, R. E.

1974-01-01

Surface-water records for the 1973 water year for Kansas, including records of streamflow or reservoir storage at gaging stations and partial-record stations, are given in this report. The locations of the stations are on figures 1 and 2. Records for a few pertinent gaging stations in bordering States also are included. These data represent that part of the National Water Data System collected by the U. S. Geological Survey and cooperating State and Federal agencies in Kansas. The records were collected and computed by the Water Resources Division of the U. S. Geological Survey under the direction of C. W. Lane, district chief. Kansas district personnel who contributed significantly to the collection and preparation of data included in this report were: J. L. Ebling, C. 0. Geiger, K. D. Medina, C. 0. Peek, J. D. Craig, L. L. Jones, J. P. Marshall, W. J. Carswell, D. L. Lacock, G. G. Quy II, J. T. Religa, R. D. Thomas, S. V. Bond, S. T. Green, C. G. Sauer, L. M. Pope, F. D. Toepfer, A. F. Browning, M. L. Penny, M. Pabst, and L. R. Stringer.Through September 30, 1960, the records of discharge and stage of streams and canals and contents and stage of lakes or reservoirs were published in an annual series of U. S. Geological Survey water-supply papers entitled "Surface Water Supply of the United States."Beginning with the 1961 water year, surface-water records have been released by the Geological Survey in annual reports on a State-boundary basis. Distribution of these reports is limited; they are designed primarily for rapid release of data shortly after the end of the water year to meet local needs. The discharge and reservoir storage records for 1961-65 also have been published in a Geological Survey water-supply paper series entitled "Surface Water Supply of the United States 1961-65."

Heat Transfer Measurements during DC Casting of Aluminium Part I: Measurement Technique

NASA Astrophysics Data System (ADS)

Bakken, J. A.; Bergström, T.

A method for determination of surface heat transfer to the cooling water and mould based on in-situ temperature measurements in the DC cast ingot has been developed. Three or more steel mantled coaxial thermocouples (0.5 mm diam.) are mounted on a wire frame called a "harp". Allowing the "harp" to freeze into the solid ingots during the casting time-temperature plots T1 (t), T2(t), T3 (t) are obtained for three moving points positioned typically 3, 7 and 11 mm from the ingot surface. From these measurements surface temperature, heat flux and heat transfer coefficients are computed as functions of vertical distance. The computer program is based on steady-state two-dimensional heat balances with convective terms for two fixed volume elements: one around thermocouple T1 and one surface element. A special numerical smoothing procedure is incorporated. The heat of solidification is taken into account.

Precise determination of water exchanges on a mineral surface

DOE PAGES

Stack, Andrew G.; Borreguero, Jose M.; Prisk, Timothy R.; ...

2016-10-03

Solvent exchanges on solid surfaces and dissolved ions are a fundamental property important for understanding chemical reactions, but the rates of fast exchanges are poorly constrained. In this paper, we probed the diffusional motions of water adsorbed onto nanoparticles of the mineral barite (BaSO 4) using quasi-elastic neutron scattering (QENS) and classical molecular dynamics (MD) to reveal the complex dynamics of water exchange along mineral surfaces. QENS data as a function of temperature and momentum transfer (Q) were fit using scattering functions derived from MD trajectories. The simulations reproduce the dynamics measured in the experiments at ambient temperatures, but asmore » temperature is lowered the simulations overestimate slower motions. Decomposition of the MD-computed QENS intensity into contributions from adsorbed and unbound water shows that the majority of the signal arises from adsorbed species, although the dynamics of unbound water cannot be dismissed. The mean residence times of water on each of the four surface sites present on the barite {001} were calculated using MD: at room temperature the low barium site is 194 ps, whereas the high barium site contains two distributions of motions at 84 and 2.5 ps. These contrast to 13 ps residence time on both sulfate sites, with an additional surface diffusion exchange of 66 ps. Surface exchanges are similar to those of the aqueous ions calculated using the same force field: Ba aq 2+ is 208 ps and SO 4aq 2- is 5.8 ps. Finally, this work demonstrates how MD can be a reliable method to deconvolute solvent exchange reactions when quantitatively validated by QENS measurements.« less

Simulating effects of microtopography on wetland specific yield and hydroperiod

USGS Publications Warehouse

Summer, David M.; Wang, Xixi

2011-01-01

Specific yield and hydroperiod have proven to be useful parameters in hydrologic analysis of wetlands. Specific yield is a critical parameter to quantitatively relate hydrologic fluxes (e.g., rainfall, evapotranspiration, and runoff) and water level changes. Hydroperiod measures the temporal variability and frequency of land-surface inundation. Conventionally, hydrologic analyses used these concepts without considering the effects of land surface microtopography and assumed a smoothly-varying land surface. However, these microtopographic effects could result in small-scale variations in land surface inundation and water depth above or below the land surface, which in turn affect ecologic and hydrologic processes of wetlands. The objective of this chapter is to develop a physically-based approach for estimating specific yield and hydroperiod that enables the consideration of microtopographic features of wetlands, and to illustrate the approach at sites in the Florida Everglades. The results indicate that the physically-based approach can better capture the variations of specific yield with water level, in particular when the water level falls between the minimum and maximum land surface elevations. The suggested approach for hydroperiod computation predicted that the wetlands might be completely dry or completely wet much less frequently than suggested by the conventional approach neglecting microtopography. One reasonable generalization may be that the hydroperiod approaches presented in this chapter can be a more accurate prediction tool for water resources management to meet the specific hydroperiod threshold as required by a species of plant or animal of interest.

Remote measurement of surface-water velocity using infrared videography and PIV: a proof-of-concept for Alaskan rivers

USGS Publications Warehouse

Kinzel, Paul J.; Legleiter, Carl; Nelson, Jonathan M.; Conaway, Jeffrey S.

2017-01-01

Thermal cameras with high sensitivity to medium and long wavelengths can resolve features at the surface of flowing water arising from turbulent mixing. Images acquired by these cameras can be processed with particle image velocimetry (PIV) to compute surface velocities based on the displacement of thermal features as they advect with the flow. We conducted a series of field measurements to test this methodology for remote sensing of surface velocities in rivers. We positioned an infrared video camera at multiple stations across bridges that spanned five rivers in Alaska. Simultaneous non-contact measurements of surface velocity were collected with a radar gun. In situ velocity profiles were collected with Acoustic Doppler Current Profilers (ADCP). Infrared image time series were collected at a frequency of 10Hz for a one-minute duration at a number of stations spaced across each bridge. Commercial PIV software used a cross-correlation algorithm to calculate pixel displacements between successive frames, which were then scaled to produce surface velocities. A blanking distance below the ADCP prevents a direct measurement of the surface velocity. However, we estimated surface velocity from the ADCP measurements using a program that normalizes each ADCP transect and combines those normalized transects to compute a mean measurement profile. The program can fit a power law to the profile and in so doing provides a velocity index, the ratio between the depth-averaged and surface velocity. For the rivers in this study, the velocity index ranged from 0.82 – 0.92. Average radar and extrapolated ADCP surface velocities were in good agreement with average infrared PIV calculations.

Water resources data for New Mexico, water year 1965; Part 1. Surface water records

USGS Publications Warehouse

,

1966-01-01

The surface-water records for the 1965 water year for gaging stations, partial-record stations, and miscellaneous sites within the State of New Mexico are given in this report. For convenience there are also Included records for a few pertinent gaging stations in bordering States. The records were collected and computed by the Water Resources Division of the U.S. Geological Survey, under the direction of W. E. Hale, District Chief, Water Resources Division. This report is the fifth In a series presenting, annually, basic data on surface-water records by States. Through September 30, 1960, the records of discharge and stage of streams and contents and stage of lakes or reservoirs were published in an annual series of U. S. Geological Survey water-supply papers entitled Surface Water Supply of the United States. Since 1951 there have been 20 volumes in the series; each volume covered an area whose boundaries coincided with those of certain natural drainage areas. The records in New Mexico were contained in Parts 7, 8 and 9 of that series. Beginning with the 1961 water year, streamflow records and related data will be released by the Geological Survey in annual reports on a State-boundary basis. Distribution of these basic-data reports will be limited and primarily for local needs. The records later will be published in Geological Survey water-supply papers at 5~year intervals. These 5-year water-supply papers will show daily discharge and will be compi led On the same geographical areas previously used for the annual series; however, some of the 14 parts of conterminous United States will be further subdivided.

Documentation of the runqual module for ADDAMS: Comparison of predicted runoff water quality with standards. Environmental effects of dredging. Technical notes

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

Schroeder, P.R.; Gibson, A.C.; Dardeau, E.A.

This technical note has a twofold purpose: to describe a technique for comparing the predicted quality of surface runoff from confined dredged material disposal areas with applicable water quality standards and to document a computer program called RUNQUAL, written for that purpose as a part of the Automated Dredging and Disposal Alternatives Management System (ADDAMS).

Computer-aided analysis of LANDSAT data for surveying Texas coastal zone environments. [Pass Cavallo and Port O'Conner

NASA Technical Reports Server (NTRS)

Kristof, S. J. (Principal Investigator); Weismiller, R. A.

1977-01-01

The author has identified the following significant results. The study areas were Pass Cavallo and Port O'Connor. The following terrestrial and aquatic environments were discriminated: alternating beach ridges, swales, sand dunes, beach birms, deflation surfaces, land-water interface, urban, spoil areas, fresh and salt water marshes, grass and woodland, recently burned or grazed areas, submerged vegetation, and waterways.

Analysis of Experimental Investigations of the Planing Process of the Surface of Water

NASA Technical Reports Server (NTRS)

Sottorf, W.

1944-01-01

Pressure distribution and spray measurements were carried out on rectangular flat and V-bottom planing surfaces. Lift, resistance, and center of pressure data are analyzed and it is shown how these values may be computed for the pure planing procees of a flat or V-bottom suface of arbitrary beam, load and speed, the method being illustrated with the aid of an example.

Temperature Calculations in the Coastal Modeling System

DTIC Science & Technology

2017-04-01

tide) and river discharge at model boundaries, wave radiation stress, and wind forcing over a model computational domain. Physical processes calculated...calculated in the CMS using the following meteorological parameters: solar radiation, cloud cover, air temperature, wind speed, and surface water temperature...during a clear (i.e., cloudless) sky (Wm-2); CLDC is the cloud cover fraction (0-1.0); SWR is the surface reflection coefficient; and SHDf is the

Vulnerability of ground water to atrazine leaching in Kent County, Michigan

USGS Publications Warehouse

Holtschlag, D.J.; Luukkonen, C.L.

1997-01-01

A steady-state model of pesticide leaching through the unsaturated zone was used with readily available hydrologic, lithologic, and pesticide characteristics to estimate the vulnerability of the near-surface aquifer to atrazine contamination from non-point sources in Kent County, Michigan. The modelcomputed fraction of atrazine remaining at the water table, RM, was used as the vulnerability criterion; time of travel to the water table also was computed. Model results indicate that the average fraction of atrazine remaining at the water table was 0.039 percent; the fraction ranged from 0 to 3.6 percent. Time of travel of atrazine from the soil surface to the water table averaged 17.7 years and ranged from 2.2 to 118 years.Three maps were generated to present three views of the same atrazine vulnerability characteristics using different metrics (nonlinear transformations of the computed fractions remaining). The metrics were chosen because of the highly (right) skewed distribution of computed fractions. The first metric, rm = RMλ (where λ was 0.0625), depicts a relatively uniform distribution of vulnerability across the county with localized areas of high and low vulnerability visible. The second metric, rmλ-0.5, depicts about one-half the county at low vulnerability with discontinuous patterns of high vulnerability evident. In the third metric, rmλ-1.0 (RM), more than 95 percent of the county appears to have low vulnerability; small, distinct areas of high vulnerability are present.Aquifer vulnerability estimates in the RM metric were used with a steady-state, uniform atrazine application rate to compute a potential concentration of atrazine in leachate reaching the water table. The average estimated potential atrazine concentration in leachate at the water table was 0.16 μg/L (micrograms per liter) in the model area; estimated potential concentrations ranged from 0 to 26 μg/L. About 2 percent of the model area had estimated potential atrazine concentrations in leachate at the water table that exceeded the USEPA (U.S. Environmental Protection Agency) maximum contaminant level of 3 μg/L.Uncertainty analyses were used to assess effects of parameter uncertainty and spatial interpolation error on the variability of the estimated fractions of atrazine remaining at the water table. Results of Monte Carlo simulations indicate that parameter uncertainty is associated with a standard error of 0.0875 in the computed fractions (in the rm metric). Results of kriging analysis indicate that errors in spatial interpolation are associated with a standard error of 0.146 (in the rm metric). Thus, uncertainty in fractions remaining is primarily associated with spatial interpolation error, which can be reduced by increasing the density of points where the leaching model is applied.A sensitivity analysis indicated which of 13 hydrologic, lithologic, and pesticide characteristics were influential in determining fractions of atrazine remaining at the water table. Results indicate that fractions remaining are most sensitive to the unit changes in pesticide half life and in organic-carbon content in soils and unweathered rocks, and least sensitive to infiltration rates.The leaching model applied in this report provides an estimate of the vulnerability of the near-surface aquifer in Kent County to contamination by atrazine. The vulnerability estimate is related to water-quality criteria developed by the USEPA to help assess potential risks from atrazine to the near-surface aquifer. However, atrazine accounts for only 28 percent of the herbicide use in the county; additional potential for contamination exists from other pesticides and pesticide metabolites. Therefore, additional work is needed to develop a comprehensive understanding of the relative risks associated with specific pesticides. The modeling approach described in this report provides a technique for estimating relative vulnerabilities to specific pesticides and for helping to assess potential risks.

The (impossible?) formation of acetaldehyde on the grain surfaces: insights from quantum chemical calculations

NASA Astrophysics Data System (ADS)

Enrique-Romero, J.; Rimola, A.; Ceccarelli, C.; Balucani, N.

2016-06-01

Complex Organic Molecules (COMs) have been detected in the interstellar medium (ISM). However, it is not clear whether their synthesis occurs on the icy surfaces of interstellar grains or via a series of gas-phase reactions. As a test case of the COMs synthesis in the ISM, we present new quantum chemical calculations on the formation of acetaldehyde (CH3CHO) from the coupling of the HCO and CH3 radicals, both in gas phase and on water ice surfaces. The binding energies of HCO and CH3 on the amorphous water ice were also computed (2333 and 734 K, respectively). Results indicate that, in gas phase, the products could be either CH3CHO, CH4 + CO, or CH3OCH, depending on the relative orientation of the two radicals. However, on the amorphous water ice, only the CH4 + CO product is possible due to the geometrical constraints imposed by the water ice surface. Therefore, acetaldehyde cannot be synthesized by the CH3 + HCO coupling on the icy grains. We discuss the implications of these results and other cases, such as ethylene glycol and dimethyl ether, in which similar situations can occur, suggesting that formation of these molecules on the grain surfaces might be unlikely.

Adsorption Behavior of Surfactant on Lignite Surface: A Comparative Experimental and Molecular Dynamics Simulation Study

PubMed Central

He, Meng; Zhang, Wei; Cao, Xiaoqiang; You, Xiaofang; Li, Lin

2018-01-01

Experimental and computational simulation methods are used to investigate the adsorption behavior of the surfactant nonylphenol ethoxylate (NPEO10), which contains 10 ethylene oxide groups, on the lignite surface. The adsorption of NPEO10 on lignite follow a Langmuir-type isotherm. The thermodynamic parameters of the adsorption process show that the whole process is spontaneous. X-ray photoelectron spectroscopic (XPS) analysis indicates that a significant fraction of the oxygen-containing functional groups on the lignitic surface were covered by NPEO10. Molecular dynamics (MD) simulations show that the NPEO10 molecules were found to adsorb at the water-coal interface. Moreover, polar interactions are the main effect in the adsorption process. The density distributions of coal, NPEO10, and water molecules along the Z axis show that the remaining hydrophobic portions of the surfactant extend into the solution, creating a more hydrophobic coal surface that repels water molecules. The negative interaction energy calculated from the density profiles of the head and tail groups along the three spatial directions between the surfactant and the lignitic surface suggest that the adsorption process is spontaneous. The self-diffusion coefficients show that the presence of NPEO10 causes higher water mobility by improving the hydrophobicity of lignite. PMID:29389899

1DTempPro: analyzing temperature profiles for groundwater/surface-water exchange.

PubMed

Voytek, Emily B; Drenkelfuss, Anja; Day-Lewis, Frederick D; Healy, Richard; Lane, John W; Werkema, Dale

2014-01-01

A new computer program, 1DTempPro, is presented for the analysis of vertical one-dimensional (1D) temperature profiles under saturated flow conditions. 1DTempPro is a graphical user interface to the U.S. Geological Survey code Variably Saturated 2-Dimensional Heat Transport (VS2DH), which numerically solves the flow and heat-transport equations. Pre- and postprocessor features allow the user to calibrate VS2DH models to estimate vertical groundwater/surface-water exchange and also hydraulic conductivity for cases where hydraulic head is known. Published 2013. This article is a U.S. Government work and is in the public domain in the USA.

Fully coupled six-dimensional calculations of the water dimer vibration-rotation-tunneling states with split Wigner pseudospectral approach. II. Improvements and tests of additional potentials

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

Fellers, R.S.; Braly, L.B.; Saykally, R.J.

The SWPS method is improved by the addition of H.E.G. contractions for generating a more compact basis. An error in the definition of the internal fragment axis system used in our previous calculation is described and corrected. Fully coupled 6D (rigid monomers) VRT states are computed for several new water dimer potential surfaces and compared with experiment and our earlier SWPS results. This work sets the stage for refinement of such potential surfaces via regression analysis of VRT spectroscopic data. {copyright} {ital 1999 American Institute of Physics.}

Experimental validation of A-mode ultrasound acquisition system for computer assisted orthopaedic surgery

NASA Astrophysics Data System (ADS)

De Lorenzo, Danilo; De Momi, Elena; Beretta, Elisa; Cerveri, Pietro; Perona, Franco; Ferrigno, Giancarlo

2009-02-01

Computer Assisted Orthopaedic Surgery (CAOS) systems improve the results and the standardization of surgical interventions. Anatomical landmarks and bone surface detection is straightforward to either register the surgical space with the pre-operative imaging space and to compute biomechanical parameters for prosthesis alignment. Surface points acquisition increases the intervention invasiveness and can be influenced by the soft tissue layer interposition (7-15mm localization errors). This study is aimed at evaluating the accuracy of a custom-made A-mode ultrasound (US) system for non invasive detection of anatomical landmarks and surfaces. A-mode solutions eliminate the necessity of US images segmentation, offers real-time signal processing and requires less invasive equipment. The system consists in a single transducer US probe optically tracked, a pulser/receiver and an FPGA-based board, which is responsible for logic control command generation and for real-time signal processing and three custom-made board (signal acquisition, blanking and synchronization). We propose a new calibration method of the US system. The experimental validation was then performed measuring the length of known-shape polymethylmethacrylate boxes filled with pure water and acquiring bone surface points on a bovine bone phantom covered with soft-tissue mimicking materials. Measurement errors were computed through MR and CT images acquisitions of the phantom. Points acquisition on bone surface with the US system demonstrated lower errors (1.2mm) than standard pointer acquisition (4.2mm).

Use of a novel extended blink test to evaluate the performance of two polyvinylpyrrolidone-containing, silicone hydrogel contact lenses

PubMed Central

Schafer, Jeffery; Reindel, William; Steffen, Robert; Mosehauer, Gary; Chinn, Joseph

2018-01-01

Background Sustained digital display viewing reduces eye blink frequency and tear film stability. To retain water and preserve a smooth optical surface, contact lens manufacturers have integrated the humectant polyvinylpyrrolidone (PVP) into silicone hydrogel contact lenses. In this study, extended blink time (EBT) was used to assess visual stability over a prolonged blink interval of two PVP-containing silicone hydrogel lenses, samfilcon A (SAM) and senofilcon A (SEN). Materials and methods This randomized, bilateral, masked, crossover study assessed lens performance in ten subjects after 16 hours of wear. EBT, ie, the time elapsed between cessation of blinking and blur-out of a threshold letter on the acuity chart, was measured. At the end of the wear period, subjects reported duration of computer use and rated visual quality (VQ) and comfort while wearing the assigned lens, and the investigator evaluated lens surface wetting characteristics. Each lens was removed and immediately weighed to determine total water content. Results EBTs were 10.42 seconds for SAM and 8.04 seconds for SEN (p = 0.015). Subjective ratings of VQ after 16 hours of wear were 84.6 for SAM and 74.4 for SEN (p = 0.049). Comfort ratings were 85.9 for SAM and 80.2 for SEN (p > 0.05). Median times of computer use were 6–8 hours for both lens types. Post blink, 70.0% of SAM and 30.0% of SEN lenses were completely wet (p = 0.021). Total water content after wear was 43.7% for SAM and 35.5% for SEN (p < 0.001). Conclusion EBT measurement indicated more stable vision with the PVP-containing SAM polymer compared with the PVP-containing SEN polymer. The SAM polymer also demonstrated better surface wetting and maintained higher water content after a prolonged period of wear. EBT can be valuable in assessing vision stability of patients after hours of computer use. PMID:29765195

Evaluating GCM land surface hydrology parameterizations by computing river discharges using a runoff routing model: Application to the Mississippi basin

NASA Technical Reports Server (NTRS)

Liston, G. E.; Sud, Y. C.; Wood, E. F.

1994-01-01

To relate general circulation model (GCM) hydrologic output to readily available river hydrographic data, a runoff routing scheme that routes gridded runoffs through regional- or continental-scale river drainage basins is developed. By following the basin overland flow paths, the routing model generates river discharge hydrographs that can be compared to observed river discharges, thus allowing an analysis of the GCM representation of monthly, seasonal, and annual water balances over large regions. The runoff routing model consists of two linear reservoirs, a surface reservoir and a groundwater reservoir, which store and transport water. The water transport mechanisms operating within these two reservoirs are differentiated by their time scales; the groundwater reservoir transports water much more slowly than the surface reservior. The groundwater reservior feeds the corresponding surface store, and the surface stores are connected via the river network. The routing model is implemented over the Global Energy and Water Cycle Experiment (GEWEX) Continental-Scale International Project Mississippi River basin on a rectangular grid of 2 deg X 2.5 deg. Two land surface hydrology parameterizations provide the gridded runoff data required to run the runoff routing scheme: the variable infiltration capacity model, and the soil moisture component of the simple biosphere model. These parameterizations are driven with 4 deg X 5 deg gridded climatological potential evapotranspiration and 1979 First Global Atmospheric Research Program (GARP) Global Experiment precipitation. These investigations have quantified the importance of physically realistic soil moisture holding capacities, evaporation parameters, and runoff mechanisms in land surface hydrology formulations.

Integrated Water Flow Model (IWFM), A Tool For Numerically Simulating Linked Groundwater, Surface Water And Land-Surface Hydrologic Processes

NASA Astrophysics Data System (ADS)

Dogrul, E. C.; Brush, C. F.; Kadir, T. N.

2006-12-01

The Integrated Water Flow Model (IWFM) is a comprehensive input-driven application for simulating groundwater flow, surface water flow and land-surface hydrologic processes, and interactions between these processes, developed by the California Department of Water Resources (DWR). IWFM couples a 3-D finite element groundwater flow process and 1-D land surface, lake, stream flow and vertical unsaturated-zone flow processes which are solved simultaneously at each time step. The groundwater flow system is simulated as a multilayer aquifer system with a mixture of confined and unconfined aquifers separated by semiconfining layers. The groundwater flow process can simulate changing aquifer conditions (confined to unconfined and vice versa), subsidence, tile drains, injection wells and pumping wells. The land surface process calculates elemental water budgets for agricultural, urban, riparian and native vegetation classes. Crop water demands are dynamically calculated using distributed soil properties, land use and crop data, and precipitation and evapotranspiration rates. The crop mix can also be automatically modified as a function of pumping lift using logit functions. Surface water diversions and groundwater pumping can each be specified, or can be automatically adjusted at run time to balance water supply with water demand. The land-surface process also routes runoff to streams and deep percolation to the unsaturated zone. Surface water networks are specified as a series of stream nodes (coincident with groundwater nodes) with specified bed elevation, conductance and stage-flow relationships. Stream nodes are linked to form stream reaches. Stream inflows at the model boundary, surface water diversion locations, and one or more surface water deliveries per location are specified. IWFM routes stream flows through the network, calculating groundwater-surface water interactions, accumulating inflows from runoff, and allocating available stream flows to meet specified or calculated deliveries. IWFM utilizes a very straight-forward input file structure, allowing rapid development of complex simulations. A key feature of IWFM is a new algorithm for computation of groundwater flow across element faces. Enhancements to version 3.0 include automatic time-tracking of input and output data sets, linkage with the HEC-DSS database, and dynamic crop allocation using logit functions. Utilities linking IWFM to the PEST automated calibration suite are also available. All source code, executables and documentation are available for download from the DWR web site. IWFM is currently being used to develop hydrologic simulations of California's Central Valley (C2VSIM); the west side of California's San Joaquin Valley (WESTSIM); Butte County, CA; Solano County, CA; Merced County, CA; and the Oregon side of the Walla Walla River Basin.

Density functional theory (DFT) study on the hydrolysis behavior of degradable Mg/Mg alloys for biomedical applications

NASA Astrophysics Data System (ADS)

Nezafati, Marjan

Magnesium-based (Mg and/or Mg alloys) materials possess many advantageous physicochemical/biological characteristics such as good biocompatibility and similarity of the mechanical properties to the human bone tissue, which renders this material a promising candidate for the biomedical and implant applications. One of the most attractive features of Mg-based materials is the degradability in the physiological environment. With the burst of research on the biodegradable materials for the healthcare device applications, Mg and its alloys attracted a strong attention in the bioengineering field in recent years. However, the major limitation of applying Mg-based materials to biomedical applications is the fast degradation/corrosion rate with regards to the healing process time-span. In the present thesis, an atomistic model employing the density-functional theory (DFT) has been developed to study the hydrolysis process by understanding the influences of commonly used alloying elements (zinc (Zn), calcium (Ca), aluminum (Al), and yttrium (Y)) and the crystallographic orientation of the dissolution surfaces (basal (0001), prism (1010), and pyramidal (1011) planes) on the corrosion behavior. These parameters are known to strongly impact the initial hydrolysis phenomena of Mg-based materials. To develop the atomistic computational model, we have implemented the Dmol3 software package in conjunction with PBE (Perdew, Burke and Ernzerhof) correlation energy functional in the GGA (generalized gradient approximation) scheme. Throughout the thesis, we performed three sets of calculations, i) surface energy, ii) dissolution potential, and iii) water adsorption computations, to examine the hydrolysis mechanism and the subsequent corrosion/degradation of Mg/Mg alloys. The total energy changes of various Mg-based systems in different conditions for these surface energies, dissolution behavior, and tendency of the system for adsorbing the water molecule were quantified. The results obtained from the atomistic model showed that these structural/compositional parameters (i.e., different types of alloying elements and surface planes) can considerably impact the stability of surfaces that are in contact with the corrosion media. The dissolution potential change computation predicted that Al can prevent the dissolution of Mg atoms from the surface of Mg-Al systems. In addition, it was found that the trend of water adsorption phenomena with different alloying elements/planes can be well-explained by the stability of corrosion surface.

Radar probing of surfactant films on the water surface using dual co-polarized SAR

NASA Astrophysics Data System (ADS)

Ermakov, S.; da Silva, J. C. B.; Kapustin, I.; Molkov, A.; Sergievskaya, I.; Shomina, O.

2016-10-01

Retrieving the water-leaving reflectance from airborne hyperspectral data implies to deal with three steps. Firstly, the radiance recorded by an airborne sensor comes from several sources: the real radiance of the object, the atmospheric scattering, sky and sun glint and the dark current of the sensor. Secondly, the dispersive element inside the sensor (usually a diffraction grating or a prism) could move during the flight, thus shifting the observed spectra on the wavelengths axis. Thirdly, to compute the reflectance, it is necessary to estimate, for each band, what value of irradiance corresponds to a 100% reflectance. We present here our calibration method, relying on the absorption features of the atmosphere and the near-infrared properties of common materials. By choosing proper flight height and flight lines angle, we can ignore atmospheric and sun glint contributions. Autocorrelation plots allow to identify and reduce the noise in our signals. Then, we compute a signal that represents the high frequencies of the spectrum, to localize the atmospheric absorption peaks (mainly the dioxygen peak around 760 nm). Matching these peaks removes the shift induced by the moving dispersive element. Finally, we use the signal collected over a Lambertian, unit-reflectance surface to estimate the ratio of the system's transmittances to its near-infrared transmittance. This transmittance is computed assuming an average 50% reflectance of the vegetation and nearly 0% for water in the near-infrared. Results show great correlation between the output spectra and ground measurements from a TriOS Ramses and the water-insight WISP-3.

Global-scale water circulation in the Earth's mantle: Implications for the mantle water budget in the early Earth

NASA Astrophysics Data System (ADS)

Nakagawa, Takashi; Spiegelman, Marc W.

2017-04-01

We investigate the influence of the mantle water content in the early Earth on that in the present mantle using numerical convection simulations that include three processes for redistribution of water: dehydration, partitioning of water into partially molten mantle, and regassing assuming an infinite water reservoir at the surface. These models suggest that the water content of the present mantle is insensitive to that of the early Earth. The initial water stored during planetary formation is regulated up to 1.2 OMs (OM = Ocean Mass; 1.4 ×1021 kg), which is reasonable for early Earth. However, the mantle water content is sensitive to the rheological dependence on the water content and can range from 1.2 to 3 OMs at the present day. To explain the evolution of mantle water content, we computed water fluxes due to subducting plates (regassing), degassing and dehydration. For weakly water dependent viscosity, the net water flux is almost balanced with those three fluxes but, for strongly water dependent viscosity, the regassing dominates the water cycle system because the surface plate activity is more vigorous. The increased convection is due to enhanced lubrication of the plates caused by a weak hydrous crust for strongly water dependent viscosity. The degassing history is insensitive to the initial water content of the early Earth as well as rheological strength. The degassing flux from Earth's surface is calculated to be approximately O (1013) kg /yr, consistent with a coupled model of climate evolution and mantle thermal evolution.

Marine pastures: a by-product of large (100 megawatt or larger) floating ocean thermal power plants. Progress report, February 1, 1975--January 31, 1976

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

Roels, O.A.; Laurence, S.; Petersen, J.

1976-01-01

Our on-shore experimental area for primary- and secondary-producers was complete 1 November 1975. The system is built around six 2000-liter concrete tanks (''reactors''), to which deep water (from 870 m) is supplied while surface water is pumped from a shallow-water line extending 100 ft north of the beach facility in S. Croix. An experimental rack has been built which is capable of holding 90 separate test populations. Flow into reactors and experimental rack is regulated by constant-head devices. The system design provides flexibility for controlled manipulation and investigation of a wide variety of parameters at various trophic levels. Based onmore » preliminary results of experimentation with continuous culturing of phytoplankton in mixtures of deep and surface water, we can say that a 70:30 (deep/surface) mixture is optimal for producing algal blooms which will sustain rapid growth of Tapes semidecussata in on-shore controlled growth conditions. An open-ocean structure has been designed for growing bivalves, and is anchored off-shore near the intake of the deep-water pipeline. The structure is being tested for stability, durability, and ease of handling. A second design (for non-attaching shellfish) is being built. A modified computer program has been developed to search NODC data tapes containing measurements to within 10 percent of the ocean bottom on a seasonal basis. We have computed parameters, listed and stored seasonal data, and will refine an existing program to plot T' on a Mercator projection map of the region from 17/sup 0/ to 19/sup 0/N; 64/sup 0/ to 66/sup 0/W.« less

Water adsorbate phases on ZnO and impact of vapor pressure on the equilibrium shape of nanoparticles

NASA Astrophysics Data System (ADS)

Kenmoe, Stephane; Biedermann, P. Ulrich

2018-02-01

ZnO nanoparticles are used as catalysts and have potential applications in gas-sensing and solar energy conversion. A fundamental understanding of the exposed crystal facets, their surface chemistry, and stability as a function of environmental conditions is essential for rational design and improvement of synthesis and properties. We study the stability of water adsorbate phases on the non-polar low-index (10 1 ¯ 0 ) and (11 2 ¯ 0 ) surfaces from low coverage to multilayers using ab initio thermodynamics. We show that phonon contributions and the entropies due to a 2D lattice gas at low coverage and multiple adsorbate configurations at higher coverage have an important impact on the stability range of water adsorbate phases in the (T,p) phase diagram. Based on this insight, we compute and analyze the possible growth mode of water films for pressures ranging from UHV via ambient conditions to high pressures and the impact of water adsorption on the equilibrium shape of nanoparticles in a humid environment. A 2D variant of the Wulff construction shows that the (10 1 ¯ 0 ) and (11 2 ¯ 0 ) surfaces coexist on 12-faceted prismatic ZnO nanoparticles in dry conditions, while in humid environment, the (10 1 ¯ 0 ) surface is selectively stabilized by water adsorption resulting in hexagonal prisms.

Water resources data for New Mexico, water year 1964; Part I. Surface water records

USGS Publications Warehouse

,

1965-01-01

The surface-water records for the 1964 water year for gaging stations, partialrecord stations, and miscellaneous sites within the State of New Mexico are given in this report. For convenience there are also included records for a few pertinent gaging stations in bordering States. The records were collected and computed by the Water Resources Division of the U. S. Geological Survey, under the direction of W. L. Heckler, district engineer, Surface Water Branch. This report is the fourth in a series presenting, annually, basic data on surfacewater records by States. Through September 30, 1960, the records of discharge and stage of streams and contents and stage of lakes or reservoirs were published in an annual series of U. S. Geological Survey water-supply papers entitled "Surface Water Supply of the United States." Since 1951 there have been 20 volumes in the series; each volume covered an area whose boundaries coincided with those of certain natural drainage areas. The records in New Mexico were contained in Parts 7, 8, and 9 of that series. Beginning with the 1961 water year, streamflow records and related data will be released by the Geological Survey in annual reports on a State-boundary basis. Distribution of these basic-data reports will be limited and primarily for local needs. The records later will be published in Geological Survey water-supply papers at 5-year intervals. These 5-year water-supply papers will show daily discharge and will be compiled on the same geographical areas previously used for the annual series; however, some of the 14 parts of conterminous United States will be further subdivided.

Density Functional Investigation of the Adsorption of Isooctane, Ethanol, and Acetic Acid on a Water-Covered Fe(100) Surface

PubMed Central

2014-01-01

The presence of water in biofuels poses the question of how it affects the frictional performance of additives in fuels containing organic substances. To investigate the effect of water on the adsorption of molecules present in fuel and its additives we simulated within the framework of density functional theory the adsorption of ethanol, isooctane (2,2,4-trimethylpentane), and acetic acid on a bare and a water-covered Fe(100) surface. Van der Waals interactions are taken into account in our computations. In those molecules, where dispersion forces contribute significantly to the binding mechanism, the water layer has a stronger screening effect. Additionally, this effect can be enhanced by the presence of polar functional groups in the molecule. Thus, with the introduction of a water layer, the adsorption energy of isooctane and ethanol is reduced but it is increased in the case of the acetic acid. The adsorption configuration of ethanol is changed, while the one of acetic acid is moderately, and for isooctane only very slightly altered. Therefore, the effect of a water layer in the adsorption of organic molecules on an Fe(100) surface strongly depends on the type of bond and consequently, so do the tribological properties. PMID:25243045

On the Hofmeister effect: fluctuations at the protein-water interface and the surface tension.

PubMed

Bogár, Ferenc; Bartha, Ferenc; Násztor, Zoltán; Fábián, László; Leitgeb, Balázs; Dér, András

2014-07-24

We performed molecular dynamics simulations on the tryptophane-cage miniprotein using a nonpolarizable force field, in order to model the effect of concentrated water solutions of neutral salts on protein conformation, which is a manifestation of Hofmeister effects. From the equilibrium values and the fluctuations of the solvent accessible surface area of the miniprotein, the salt-induced changes of the mean value of protein-water interfacial tension were determined. At 300 K, the chaotropic ClO4(-) and NO3(-) decreased the interfacial tension according to their position in the Hofmeister series (by approximately 5 and 2.7 mN/m, respectively), while the kosmotropic F(-) increased it (by 1 mN/m). These values were compared to those obtained from the Gibbs equation using the excess surface adsorption calculated from the probability distribution of the water molecules and ions around the miniprotein, and the two sets were found to be very close to each other. Our results present a direct evidence for the central role of interfacial tension and fluctuations at the protein-water interface in Hofmeister phenomena, and provide a computational method for the determination of the protein-water interfacial tension, establishing a link between the phenomenological and microscopic description of protein-water interfaces.

Structural and mechanical properties of glassy water in nanoscale confinement.

PubMed

Lombardo, Thomas G; Giovambattista, Nicolás; Debenedetti, Pablo G

2009-01-01

We investigate the structure and mechanical properties of glassy water confined between silica-based surfaces with continuously tunable hydrophobicity and hydrophilicity by computing and analyzing minimum energy, mechanically stable configurations (inherent structures). The structured silica substrate imposes long-range order on the first layer of water molecules under hydrophobic confinement at high density (p > or = 1.0 g cm(-3)). This proximal layer is also structured in hydrophilic confinement at very low density (p approximately 0.4 g cm(-3)). The ordering of water next to the hydrophobic surface greatly enhances the mechanical strength of thin films (0.8 nm). This leads to a substantial stress anisotropy; the transverse strength of the film exceeds the normal strength by 500 MPa. The large transverse strength results in a minimum in the equation of state of the energy landscape that does not correspond to a mechanical instability, but represents disruption of the ordered layer of water next to the wall. In addition, we find that the mode of mechanical failure is dependent on the type of confinement. Under large lateral strain, water confined by hydrophilic surfaces preferentially forms voids in the middle of the film and fails cohesively. In contrast, water under hydrophobic confinement tends to form voids near the walls and fails by loss of adhesion.

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

McDaniel, Jesse G.; Yethiraj, Arun, E-mail: yethiraj@chem.wisc.edu

The diffusion of protons in self-assembled systems is potentially important for the design of efficient proton exchange membranes. In this work, we study proton dynamics in a low-water content, lamellar phase of a sodium-carboxylate gemini surfactant/water system using computer simulations. The hopping of protons via the Grotthuss mechanism is explicitly allowed through the multi-state empirical valence bond method. We find that the hydronium ion is trapped on the hydrophobic side of the surfactant-water interface, and proton diffusion then proceeds by hopping between surface sites. The importance of hydrophobic traps is surprising because one would expect the hydronium ions to bemore » trapped at the charged headgroups. The physics illustrated in this system should be relevant to the proton dynamics in other amphiphilic membrane systems, whenever there exist exposed hydrophobic surface regions.« less

Use of thermal inertia determined by HCMM to predict nocturnal cold prone areas in Florida. [The Everglades agricultural area, Lake Okeechobee, and the Suwanee River basin

NASA Technical Reports Server (NTRS)

Allen, L. H., Jr. (Principal Investigator); Chen, E.; Martsolf, J. D.; Jones, P. H.

1981-01-01

Transparencies, prints, and computer compatible tapes of temperature differential and thermal inertia for the winter of 1978 to 1979 were obtained. Thermal inertial differences in the South Florida depicted include: drained organic soils of the Everglades agricultural area, undrained organic soils of the managed water conservation areas of the South Florida water management district, the urbanized area around Miami, Lake Okeechobee, and the mineral soil west of the Everglades agricultural area. The range of wetlands and uplands conditions within the Suwanee River basin was also identified. It is shown that the combination of wetlands uplands surface features of Florida yield a wide range of surface temperatures related to wetness of the surface features.

Water resources data for Michigan, water year 1974; Part 1, Surface water records

USGS Publications Warehouse

,

1975-01-01

Surface-water records for the 1974 water year for gaging stations, partial-record stations, and miscellaneous sites within the State of Michigan are given in this report. For convenience there are also included records for a few pertinent gaging stations in bordering States. The records were collected and computed by the Water Resources Division of the U.S. Geological Survey, under the direction of T.R. Cummings, district chief. These data represent that portion of the National Water Data System collected by the U.S. Geological Survey and cooperating State and Federal agencies in Michigan.Records of discharge and stage of streams, and contents and stage of lakes or reservoirs are published in a series of U.S. Geological Survey water-supply papers entitled "Surface Water Supply of the United States". Through September 30, 1960, these water-supply papers were in an annual series and since then are in a 5-year series. Since 1951 there have been 20 volumes in the series; each volume covered an area whose boundaries coincided with those of certain natural drainage areas. The records in Michigan are contained in Part 4 of that series.Beginning with the 1961 water year, streamflow records and related data have been released by the Geological Survey in annual reports on a State-boundary basis. Distribution of these basic-data reports is limited and they are designed primarily for rapid release of data shortly after the end of the water year.

Impact of Water Withdrawals from Groundwater and Surface Water on Continental Water Storage Variations

NASA Technical Reports Server (NTRS)

Doell, Petra; Hoffmann-Dobrev, Heike; Portmann, Felix T.; Siebert, Stefan; Eicker, Annette; Rodell, Matthew; Strassberg, Gil

2011-01-01

Humans have strongly impacted the global water cycle, not only water flows but also water storage. We have performed a first global-scale analysis of the impact of water withdrawals on water storage variations, using the global water resources and use model WaterGAP. This required estimation of fractions of total water withdrawals from groundwater, considering five water use sectors. According to our assessment, the source of 35% of the water withdrawn worldwide (4300 cubic km/yr during 1998-2002) is groundwater. Groundwater contributes 42%, 36% and 27% of water used for irrigation, households and manufacturing, respectively, while we assume that only surface water is used for livestock and for cooling of thermal power plants. Consumptive water use was 1400 cubic km/yr during 1998-2002. It is the sum of the net abstraction of 250 cubic km/yr of groundwater (taking into account evapotranspiration and return flows of withdrawn surface water and groundwater) and the net abstraction of 1150 km3/yr of surface water. Computed net abstractions indicate, for the first time at the global scale, where and when human water withdrawals decrease or increase groundwater or surface water storage. In regions with extensive surface water irrigation, such as Southern China, net abstractions from groundwater are negative, i.e. groundwater is recharged by irrigation. The opposite is true for areas dominated by groundwater irrigation, such as in the High Plains aquifer of the central USA, where net abstraction of surface water is negative because return flow of withdrawn groundwater recharges the surface water compartments. In intensively irrigated areas, the amplitude of seasonal total water storage variations is generally increased due to human water use; however, in some areas, it is decreased. For the High Plains aquifer and the whole Mississippi basin, modeled groundwater and total water storage variations were compared with estimates of groundwater storage variations based on groundwater table observations, and with estimates of total water storage variations from the GRACE satellites mission. Due to the difficulty in estimating area-averaged seasonal groundwater storage variations from point observations of groundwater levels, it is uncertain whether WaterGAP underestimates actual variations or not. We conclude that WaterGAP possibly overestimates water withdrawals in the High Plains aquifer where impact of human water use on water storage is readily discernible based on WaterGAP calculations and groundwater observations. No final conclusion can be drawn regarding the possibility of monitoring water withdrawals in the High Plains aquifer using GRACE. For the less intensively irrigated Mississippi basin, observed and modeled seasonal groundwater storage reveals a discernible impact of water withdrawals in the basin, but this is not the case for total water storage such that water withdrawals at the scale of the whole Mississippi basin cannot be monitored by GRACE.

Fermilab | Tritium at Fermilab | Frequently asked questions

Science.gov Websites

computing Quantum initiatives Research and development Key discoveries Benefits of particle physics Particle Accelerators Leading accelerator technology Accelerator complex Illinois Accelerator Research Center Fermilab questions about tritium Tritium in surface water Indian Creek Kress Creek Ferry Creek Tritium in sanitary

HYDROLOGICAL SIMULATION PROGRAM-FORTRAN (HSPF): USERS MANUAL FOR RELEASE 8.0

EPA Science Inventory

The Hydrological Simulation Program--FORTRAN (HSPF) is a set of computer codes that can simulate the hydrologic, and associated water quality, processes on pervious and impervious land surfaces and in streams and well mixed impoundments. The manual discusses the modular structure...

Particle self-assembly at ionic liquid-based interfaces.

PubMed

Frost, Denzil S; Nofen, Elizabeth M; Dai, Lenore L

2014-04-01

This review presents an overview of the nature of ionic liquid (IL)-based interfaces and self-assembled particle morphologies of IL-in-water, oil- and water-in-IL, and novel IL-in-IL Pickering emulsions with emphasis on their unique phenomena, by means of experimental and computational studies. In IL-in-water Pickering emulsions, particles formed monolayers at ionic liquid-water interfaces and were close-packed on fully covered emulsion droplets or aggregated on partially covered droplets. Interestingly, other than equilibrating at the ionic liquid-water interfaces, microparticles with certain surface chemistries were extracted into the ionic liquid phase with a high efficiency. These experimental findings were supported by potential of mean force calculations, which showed large energy drops as hydrophobic particles crossed the interface into the IL phase. In the oil- and water-in-IL Pickering emulsions, microparticles with acidic surface chemistries formed monolayer bridges between the internal phase droplets rather than residing at the oil/water-ionic liquid interfaces, a significant deviation from traditional Pickering emulsion morphology. Molecular dynamics simulations revealed aspects of the mechanism behind this bridging phenomenon, including the role of the droplet phase, surface chemistry, and inter-particle film. Novel IL-in-IL Pickering emulsions exhibited an array of self-assembled morphologies including the previously observed particle absorption and bridging phenomena. The appearance of these morphologies depended on the particle surface chemistry as well as the ILs used. The incorporation of particle self-assembly with ionic liquid science allows for new applications at the intersection of these two fields, and have the potential to be numerous due to the tunability of the ionic liquids and particles incorporated, as well as the particle morphology by combining certain groups of particle surface chemistry, IL type (protic or aprotic), and whether oil or water is incorporated. © 2013.

Low-Dimensional Materials for Optoelectronic and Bioelectronic Applications

NASA Astrophysics Data System (ADS)

Hong, Tu

In this thesis, we first discuss the fundamentals of ab initio electronic structure theory and density functional theory (DFT). We also discuss statistics related to computing thermodynamic averages of molecular dynamics (MD). We then use this theory to analyze and compare the structural, dynamical, and electronic properties of liquid water next to prototypical metals including platinum, graphite, and graphene. Our results are built on Born-Oppenheimer molecular dynamics (BOMD) generated using density functional theory (DFT) which explicitly include van der Waals (vdW) interactions within a first principles approach. All calculations reported use large simulation cells, allowing for an accurate treatment of the water-electrode interfaces. We have included vdW interactions through the use of the optB86b-vdW exchange correlation functional. Comparisons with the Perdew-Burke-Ernzerhof (PBE) exchange correlation functional are also shown. We find an initial peak, due to chemisorption, in the density profile of the liquid water-Pt interface not seen in the liquid water-graphite interface, liquid watergraphene interface, nor interfaces studied previously. To further investigate this chemisorption peak, we also report differences in the electronic structure of single water molecules on both Pt and graphite surfaces. We find that a covalent bond forms between the single water molecule and the platinum surface, but not between the single water molecule and the graphite surface. We also discuss the effects that defects and dopants in the graphite and graphene surfaces have on the structure and dynamics of liquid water. Lastly, we introduce artificial neural networks (ANNs), and demonstrate how they can be used to machine learn electronic structure calculations. As a proof of principle, we show the success of an ANN potential energy surfaces for a dimer molecule with a Lennard-Jones potential.

Automated delineation and characterization of watersheds for more than 3,000 surface-water-quality monitoring stations active in 2010 in Texas

USGS Publications Warehouse

Archuleta, Christy-Ann M.; Gonzales, Sophia L.; Maltby, David R.

2012-01-01

The U.S. Geological Survey (USGS), in cooperation with the Texas Commission on Environmental Quality, developed computer scripts and applications to automate the delineation of watershed boundaries and compute watershed characteristics for more than 3,000 surface-water-quality monitoring stations in Texas that were active during 2010. Microsoft Visual Basic applications were developed using ArcGIS ArcObjects to format the source input data required to delineate watershed boundaries. Several automated scripts and tools were developed or used to calculate watershed characteristics using Python, Microsoft Visual Basic, and the RivEX tool. Automated methods were augmented by the use of manual methods, including those done using ArcMap software. Watershed boundaries delineated for the monitoring stations are limited to the extent of the Subbasin boundaries in the USGS Watershed Boundary Dataset, which may not include the total watershed boundary from the monitoring station to the headwaters.

Oblique wave trapping by vertical permeable membrane barriers located near a wall

NASA Astrophysics Data System (ADS)

Koley, Santanu; Sahoo, Trilochan

2017-12-01

The effectiveness of a vertical partial flexible porous membrane wave barrier located near a rigid vertical impermeable seawall for trapping obliquely incident surface gravity waves are analyzed in water of uniform depth under the assumption of linear water wave theory and small amplitude membrane barrier response. From the general formulation of the submerged membrane barrier, results for bottom-standing and surface-piercing barriers are computed and analyzed in special cases. Using the eigenfunction expansion method, the boundary-value problems are converted into series relations and then the required unknowns are obtained using the least squares approximation method. Various physical quantities of interests like reflection coefficient, wave energy dissipation, wave forces acting on the membrane barrier and the seawall are computed and analyzed for different values of the wave and structural parameters. The study will be useful in the design of the membrane wave barrier for the creation of tranquility zone in the lee side of the barrier to protect the seawall.

Bridging the Knowledge Gaps between Richards' Equation and Budyko Equation

NASA Astrophysics Data System (ADS)

Wang, D.

2017-12-01

The empirical Budyko equation represents the partitioning of mean annual precipitation into evaporation and runoff. Richards' equation, based on Darcy's law, represents the movement of water in unsaturated soils. The linkage between Richards' equation and Budyko equation is presented by invoking the empirical Soil Conservation Service curve number (SCS-CN) model for computing surface runoff at the event-scale. The basis of the SCS-CN method is the proportionality relationship, i.e., the ratio of continuing abstraction to its potential is equal to the ratio of surface runoff to its potential value. The proportionality relationship can be derived from the Richards' equation for computing infiltration excess and saturation excess models at the catchment scale. Meanwhile, the generalized proportionality relationship is demonstrated as the common basis of SCS-CN method, monthly "abcd" model, and Budyko equation. Therefore, the linkage between Darcy's law and the emergent pattern of mean annual water balance at the catchment scale is presented through the proportionality relationship.

Water Dimers in the Atmosphere II: Results from the VRT(ASP-W)III Potential Surface

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

Goldman, N; Saykally, R J; Leforestier, C

We report refined results for the equilibrium constant for water dimerization (K{sub P}), computed as a function of temperature via fully-coupled 6-D calculation of the canonical (H{sub 2}O){sub 2} partition function on VRT(ASP-W)III, the most accurate water dimer potential energy surface currently available. Partial pressure isotherms calculated for a range of temperatures and relative humidities indicate that water dimers can exist in sufficient concentrations (e.g., 10{sup 18}m{sup -3} at 30 C and 100% relative humidity) to affect physical and chemical processes in the atmosphere. The determinations of additional thermodynamic properties ({Delta}G, {Delta}H, {Delta}S, C{sub P}, C{sub V}) for (H{sub 2}O){submore » 2} are presented, and the role of quasi-bound states in the calculation of K{sub P} is discussed at length.« less

Verification and transfer of thermal pollution model. Volume 5: Verification of 2-dimensional numerical model

NASA Technical Reports Server (NTRS)

Lee, S. S.; Sengupta, S.; Nwadike, E. V.

1982-01-01

The six-volume report: describes the theory of a three dimensional (3-D) mathematical thermal discharge model and a related one dimensional (1-D) model, includes model verification at two sites, and provides a separate user's manual for each model. The 3-D model has two forms: free surface and rigid lid. The former, verified at Anclote Anchorate (FL), allows a free air/water interface and is suited for significant surface wave heights compared to mean water depth; e.g., estuaries and coastal regions. The latter, verified at Lake Keowee (SC), is suited for small surface wave heights compared to depth (e.g., natural or man-made inland lakes) because surface elevation has been removed as a parameter. These models allow computation of time dependent velocity and temperature fields for given initial conditions and time-varying boundary conditions.

Modelling water table drawdown and recovery during tunnel excavation in fractured rock: estimating environmental impacts and characterizing uncertainties in a heterogeneous domain

NASA Astrophysics Data System (ADS)

Sege, J.; Li, Y.; Chang, C. F.; Chen, J.; Chen, Z.; Rubin, Y.; Li, X.; Hehua, Z.; Wang, C.; Osorio-Murillo, C. A.

2015-12-01

This study will develop a numerical model to characterize the perturbation of local groundwater systems by underground tunnel construction. Tunnels and other underground spaces act as conduits that remove water from the surrounding aquifer, and may lead to drawdown of the water table. Significant declines in water table elevation can cause environmental impacts by altering root zone soil moisture and changing inflows to surface waters. Currently, it is common to use analytical solutions to estimate groundwater fluxes through tunnel walls. However, these solutions often neglect spatial and temporal heterogeneity in aquifer parameters and system stresses. Some heterogeneous parameters, such as fracture densities, can significantly affect tunnel inflows. This study will focus on numerical approaches that incorporate heterogeneity across a range of scales. Time-dependent simulations will be undertaken to compute drawdown at various stages of excavation, and to model water table recovery after low-conductivity liners are applied to the tunnel walls. This approach will assist planners in anticipating environmental impacts to local surface waters and vegetation, and in computing the amount of tunnel inflow reduction required to meet environmental targets. The authors will also focus on managing uncertainty in model parameters. For greater planning applicability, extremes of a priori parameter ranges will be explored in order to anticipate best- and worst-case scenarios. For calibration and verification purposes, the model will be applied to a completed tunnel project in Mount Mingtang, China, where tunnel inflows were recorded throughout the construction process.

Mapping Evapotranspiration Units in the Basin and Range Carbonate-Rock Aquifer System, White Pine County, Nevada, and Adjacent Areas in Nevada and Utah

USGS Publications Warehouse

Smith, J. LaRue; Laczniak, Randell J.; Moreo, Michael T.; Welborn, Toby L.

2007-01-01

Accurate estimates of ground-water discharge are crucial in the development of a water budget for the Basin and Range carbonate-rock aquifer system study area. One common method used throughout the southwestern United States is to estimate ground-water discharge from evapotranspiration (ET). ET is a process by which water from the Earth's surface is transferred to the atmosphere. The volume of water lost to the atmosphere by ET can be computed as the product of the ET rate and the acreage of vegetation, open water, and moist soil through which ET occurs. The procedure used in the study groups areas of similar vegetation, water, and soil conditions into different ET units, assigns an average annual ET rate to each unit, and computes annual ET from each ET unit within the outer extent of potential areas of ground-water discharge. Data sets and the procedures used to delineate the ET-unit map used to estimate ground-water discharge from the study area and a qualitative assessment of the accuracy of the map are described in this report.

An Automated Method of Scanning Probe Microscopy (SPM) Data Analysis and Reactive Site Tracking for Mineral-Water Interface Reactions Observed at the Nanometer Scale

NASA Astrophysics Data System (ADS)

Campbell, B. D.; Higgins, S. R.

2008-12-01

Developing a method for bridging the gap between macroscopic and microscopic measurements of reaction kinetics at the mineral-water interface has important implications in geological and chemical fields. Investigating these reactions on the nanometer scale with SPM is often limited by image analysis and data extraction due to the large quantity of data usually obtained in SPM experiments. Here we present a computer algorithm for automated analysis of mineral-water interface reactions. This algorithm automates the analysis of sequential SPM images by identifying the kinetically active surface sites (i.e., step edges), and by tracking the displacement of these sites from image to image. The step edge positions in each image are readily identified and tracked through time by a standard edge detection algorithm followed by statistical analysis on the Hough Transform of the edge-mapped image. By quantifying this displacement as a function of time, the rate of step edge displacement is determined. Furthermore, the total edge length, also determined from analysis of the Hough Transform, combined with the computed step speed, yields the surface area normalized rate of the reaction. The algorithm was applied to a study of the spiral growth of the calcite(104) surface from supersaturated solutions, yielding results almost 20 times faster than performing this analysis by hand, with results being statistically similar for both analysis methods. This advance in analysis of kinetic data from SPM images will facilitate the building of experimental databases on the microscopic kinetics of mineral-water interface reactions.

Surface-water/ground-water interaction along reaches of the Snake River and Henrys Fork, Idaho

USGS Publications Warehouse

Hortness, Jon E.; Vidmar, Peter

2005-01-01

Declining water levels in the eastern Snake River Plain aquifer and decreases in spring discharges from the aquifer to the Snake River have spurred studies to improve understanding of the surface-water/ground-water interaction on the plain. This study was done to estimate streamflow gains and losses along specific reaches of the Snake River and Henrys Fork and to compare changes in gain and loss estimates to changes in ground-water levels over time. Data collected during this study will be used to enhance the conceptual model of the hydrologic system and to refine computer models of ground-water flow and surface-water/ground-water interactions. Estimates of streamflow gains and losses along specific subreaches of the Snake River and Henrys Fork, based on the results of five seepage studies completed during 2001?02, varied greatly across the study area, ranging from a loss estimate of 606 ft3/s in a subreach of the upper Snake River near Heise to a gain estimate of 3,450 ft3/s in a subreach of the Snake River that includes Thousand Springs. Some variations over time also were apparent in specific subreaches. Surface spring flow accounted for much of the inflow to subreaches having large gain estimates. Several subreaches alternately gained and lost streamflow during the study. Changes in estimates of streamflow gains and losses along some of the subreaches were compared with changes in water levels, measured at three different times during 2001?02, in adjacent wells. In some instances, a strong relation between changes in estimates of gains or losses and changes in ground-water levels was apparent.

Modeling Adsorption-Desorption Processes at the Intermolecular Interactions Level

NASA Astrophysics Data System (ADS)

Varfolomeeva, Vera V.; Terentev, Alexey V.

2018-01-01

Modeling of the surface adsorption and desorption processes, as well as the diffusion, are of considerable interest for the physical phenomenon under study in ground tests conditions. When imitating physical processes and phenomena, it is important to choose the correct parameters to describe the adsorption of gases and the formation of films on the structural materials surface. In the present research the adsorption-desorption processes on the gas-solid interface are modeled with allowance for diffusion. Approaches are proposed to describe the adsorbate distribution on the solid body surface at the intermolecular interactions level. The potentials of the intermolecular interaction of water-water, water-methane and methane-methane were used to adequately modeling the real physical and chemical processes. The energies calculated by the B3LYP/aug-cc-pVDZ method. Computational algorithms for determining the average molecule area in a dense monolayer, are considered here. Differences in modeling approaches are also given: that of the proposed in this work and the previously approved probabilistic cellular automaton (PCA) method. It has been shown that the main difference is due to certain limitations of the PCA method. The importance of accounting the intermolecular interactions via hydrogen bonding has been indicated. Further development of the adsorption-desorption processes modeling will allow to find the conditions for of surface processes regulation by means of quantity adsorbed molecules control. The proposed approach to representing the molecular system significantly shortens the calculation time in comparison with the use of atom-atom potentials. In the future, this will allow to modeling the multilayer adsorption at a reasonable computational cost.

Remote sensing of a coupled carbon-water-energy-radiation balances from the Globe to plot scales

NASA Astrophysics Data System (ADS)

Ryu, Y.; Jiang, C.; Huang, Y.; Kim, J.; Hwang, Y.; Kimm, H.; Kim, S.

2016-12-01

Advancements in near-surface and satellite remote sensing technologies have enabled us to monitor the global terrestrial ecosystems at multiple spatial and temporal scales. An emergent challenge is how to formulate a coupled water, carbon, energy, radiation, and nitrogen cycles from remote sensing. Here, we report Breathing Earth System Simulator (BESS), which coupled radiation (shortwave, longwave, PAR, diffuse PAR), carbon (gross primary productivity, ecosystem respiration, net ecosystem exchange), water (evaporation), and energy (latent and sensible heat) balances across the global land at 1 km resolution, 8 daily between 2000 and 2015 using multiple satellite remote sensing. The performance of BESS was tested against field observations (FLUXNET, BSRN) and other independent products (MPI-BGC, MODIS, GLASS). We found that the coupled model, BESS showed on par with, or better performance than the other products which computed land surface fluxes individually. Lastly, we show one plot-level study conducted in a paddy rice to demonstrate how to couple radiation, carbon, water, nitrogen balances with a series of near-surface spectral sensors.

Effect of Intercalated Water on Potassium Ion Transport through Kv1.2 Channels Studied via On-the-Fly Free-Energy Parametrization.

PubMed

Paz, S Alexis; Maragliano, Luca; Abrams, Cameron F

2018-05-08

We introduce a two-dimensional version of the method called on-the-fly free energy parametrization (OTFP) to reconstruct free-energy surfaces using Molecular Dynamics simulations, which we name OTFP-2D. We first test the new method by reconstructing the well-known dihedral angles free energy surface of solvated alanine dipeptide. Then, we use it to investigate the process of K + ions translocation inside the Kv1.2 channel. By comparing a series of two-dimensional free energy surfaces for ion movement calculated with different conditions on the intercalated water molecules, we first recapitulate the widely accepted knock-on mechanism for ion translocation and then confirm that permeation occurs with water molecules alternated among the ions, in accordance with the latest experimental findings. From a methodological standpoint, our new OTFP-2D algorithm demonstrates the excellent sampling acceleration of temperature-accelerated molecular dynamics and the ability to efficiently compute 2D free-energy surfaces. It will therefore be useful in large variety complex biomacromolecular simulations.

Larsen Ice Shelf, Antarctica

NASA Technical Reports Server (NTRS)

2002-01-01

Warmer surface temperatures over just a few months in the Antarctic can splinter an ice shelf and prime it for a major collapse, NASA and university scientists report in the latest issue of the Journal of Glaciology. Using satellite images of tell-tale melt water on the ice surface and a sophisticated computer simulation of the motions and forces within an ice shelf, the scientists demonstrated that added pressure from surface water filling crevasses can crack the ice entirely through. The process can be expected to become more widespread if Antarctic summer temperatures increase. This true-color image from Landsat 7, acquired on February 21, 2000, shows pools of melt water on the surface of the Larsen Ice Shelf, and drifting icebergs that have split from the shelf. The upper image is an overview of the shelf's edge, while the lower image is displayed at full resolution of 30 meters (98 feet) per pixel. The labeled pond in the lower image measures roughly 1.6 by 1.6 km (1.0 x 1.0 miles). Full text of Press Release More Images and Animations Image courtesy Landsat 7 Science Team and NASA GSFC

Annual Report 2013-2014: Theoretical Studies of Nerve Agents Adsorbed on Surfaces

DTIC Science & Technology

2014-07-08

of the solvation of sarin by water are underway. The results should clarify how water affects desorption properties and the extent of solvation of...platinum activated nanocrystalline ZnO thick films. Sensors and Actuators B-Chemical 2012, 161, 372- 380. 5. Bermudez, V. M., Computational Study of...Rauk, A.; Shishkov, I. F.; Vilkov, L. V.; Koehler, K. F.; Kostyanovsky, R. G., DETERMINATION OF THE STRUCTURE AND CHIROPTICAL PROPERTIES OF THE

An empirically derived basis for calculating the area, rate, and distribution of water-drop impingement on airfoils

NASA Technical Reports Server (NTRS)

Bergrun, Norman R

1952-01-01

An empirically derived basis for predicting the area, rate, and distribution of water-drop impingement on airfoils of arbitrary section is presented. The concepts involved represent an initial step toward the development of a calculation technique which is generally applicable to the design of thermal ice-prevention equipment for airplane wing and tail surfaces. It is shown that sufficiently accurate estimates, for the purpose of heated-wing design, can be obtained by a few numerical computations once the velocity distribution over the airfoil has been determined. The calculation technique presented is based on results of extensive water-drop trajectory computations for five airfoil cases which consisted of 15-percent-thick airfoils encompassing a moderate lift-coefficient range. The differential equations pertaining to the paths of the drops were solved by a differential analyzer.

Parallelization of interpolation, solar radiation and water flow simulation modules in GRASS GIS using OpenMP

NASA Astrophysics Data System (ADS)

Hofierka, Jaroslav; Lacko, Michal; Zubal, Stanislav

2017-10-01

In this paper, we describe the parallelization of three complex and computationally intensive modules of GRASS GIS using the OpenMP application programming interface for multi-core computers. These include the v.surf.rst module for spatial interpolation, the r.sun module for solar radiation modeling and the r.sim.water module for water flow simulation. We briefly describe the functionality of the modules and parallelization approaches used in the modules. Our approach includes the analysis of the module's functionality, identification of source code segments suitable for parallelization and proper application of OpenMP parallelization code to create efficient threads processing the subtasks. We document the efficiency of the solutions using the airborne laser scanning data representing land surface in the test area and derived high-resolution digital terrain model grids. We discuss the performance speed-up and parallelization efficiency depending on the number of processor threads. The study showed a substantial increase in computation speeds on a standard multi-core computer while maintaining the accuracy of results in comparison to the output from original modules. The presented parallelization approach showed the simplicity and efficiency of the parallelization of open-source GRASS GIS modules using OpenMP, leading to an increased performance of this geospatial software on standard multi-core computers.

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.

Nuflood, Version 1.x

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

Tasseff, Byron

2016-07-29

NUFLOOD Version 1.x is a surface-water hydrodynamic package designed for the simulation of overland flow of fluids. It consists of various routines to address a wide range of applications (e.g., rainfall-runoff, tsunami, storm surge) and real time, interactive visualization tools. NUFLOOD has been designed for general-purpose computers and workstations containing multi-core processors and/or graphics processing units. The software is easy to use and extensible, constructed in mind for instructors, students, and practicing engineers. NUFLOOD is intended to assist the water resource community in planning against water-related natural disasters.

Echelon approach to areas of concern in synoptic regional monitoring

USGS Publications Warehouse

Myers, Wayne; Patil, Ganapati P.; Joly, Kyle

1997-01-01

Echelons provide an objective approach to prospecting for areas of potential concern in synoptic regional monitoring of a surface variable. Echelons can be regarded informally as stacked hill forms. The strategy is to identify regions of the surface which are elevated relative to surroundings (Relative ELEVATIONS or RELEVATIONS). These are areas which would continue to expand as islands with receding (virtual) floodwaters. Levels where islands would merge are critical elevations which delimit echelons in the vertical dimension. Families of echelons consist of surface sectors constituting separate islands for deeper waters that merge as water level declines. Pits which would hold water are disregarded in such a progression, but a complementary analysis of pits is obtained using the surface as a virtual mould to cast a counter-surface (bathymetric analysis). An echelon tree is a family tree of echelons with peaks as terminals and the lowest level as root. An echelon tree thus provides a dendrogram representation of surface topology which enables graph theoretic analysis and comparison of surface structures. Echelon top view maps show echelon cover sectors on the base plane. An echelon table summarizes characteristics of echelons as instances or cases of hill form surface structure. Determination of echelons requires only ordinal strength for the surface variable, and is thus appropriate for environmental indices as well as measurements. Since echelons are inherent in a surface rather than perceptual, they provide a basis for computer-intelligent understanding of surfaces. Echelons are given for broad-scale mammalian species richness in Pennsylvania.

Surface temperature statistics over Los Angeles - The influence of land use

NASA Technical Reports Server (NTRS)

Dousset, Benedicte

1991-01-01

Surface temperature statistics from 84 NOAA AVHRR (Advanced Very High Resolution Radiometer) satellite images of the Los Angeles basin are interpreted as functions of the corresponding urban land-cover classified from a multispectral SPOT image. Urban heat islands observed in the temperature statistics correlate well with the distribution of industrial and fully built areas. Small cool islands coincide with highly watered parks and golf courses. There is a significant negative correlation between the afternoon surface temperature and a vegetation index computed from the SPOT image.

Advanced systems requirements for ocean observations via microwave radiometers

NASA Technical Reports Server (NTRS)

Blume, H.-J. C.; Swift, C. T.; Kendall, B. M.

1978-01-01

A future microwave spectroradiometer operating in several frequency bands will have the capability to step or sweep frequencies on an adaptable or programmable basis. The on-board adaptable frequency shifting can make the systems immune from radio interference. Programmable frequency sweeping with on-board data inversion by high speed computers would provide for instantaneous synoptic measurements or sea surface temperature and salinity, water surface and volume pollution, ice thickness, ocean surface winds, snow depth, and soil moisture. Large structure satellites will allow an order of magnitude improvement in the present radiometric measurement spacial resolution.

Water-use analysis program for the Neshaminy Creek basin, Bucks and Montgomery counties, Pennsylvania

USGS Publications Warehouse

Schreffler, Curtis L.

1996-01-01

A water-use analysis computer program was developed for the Neshaminy Creek Basin to assist in managing and allocating water resources in the basin. The program was developed for IBM-compatible personal computers. Basin analysis and the methodologies developed for the Neshaminy Creek Basin can be transferred to other watersheds. The development and structure of the water-use analysis program is documented in this report. The report also serves as a user's guide. The program uses common relational database-management software that allows for water use-data input, editing, updating and output and can be used to generate a watershed water-use analysis report. The watershed-analysis report lists summations of public-supply well withdrawals; a combination of industrial, commercial, institutional, and ground-water irrigation well withdrawals; spray irrigation systems; a combination of public, industrial, and private surface-water withdrawals; wastewater-tratement-facility dishcarges; estimates of aggregate domestic ground-water withdrawals on an areal basin or subbasin basis; imports and exports of wastewater across basin or subbasin divides; imports and exports of public water supplies across basin or subbasin divides; estimates of evaporative loss and consumptive loss from produce incorporation; industrial septic-system discharges to ground water; and ground-water well-permit allocations.

A plot tree structure to represent surface flow connectivity in rural catchments: definition and application for mining critical source areas and temporal conditions

NASA Astrophysics Data System (ADS)

Gascuel-Odoux, Chantal; Cordier, Marie-Odile; Grimaldi, Catherine; Salmon-Monviola, Jordy; Masson, Veronique; Squividant, Herve; Trepos, Ronan

2013-04-01

Agricultural landscapes are structured by a mosaic of farmers'fields whose boundaries and land use change over time, and by linear elements such as hedgerows, ditches and roads, which are more or less connected to each other. Such man-made features are now well known to have an effect on catchment hydrology, erosion and water quality. In such agricultural landscapes, it is crucial to have an adequate functional representation of the flow pathways and define relevant indicators of surface flow connectivity over the catchment towards the stream, as a necessary step for improving landscape design and water protection. A new conceptual object oriented approach has been proposed by building the drainage network on the identification of the inlets and outlets for surface water flow on each farmers' field and surrounding landscape elements (Aurousseau et al., 2009 ; Gascuel-Odoux et al., 2011), then on delineating a set of elementary plot outlet trees labelled by attributes which feed the stream. This drainage network is therefore represented as a global plot outlet tree which conceptualizes the connectivity of the surface flow patterns over the catchment. This approach has been applied to different catchment areas, integrated in modelling (Gascuel-Odoux et al., 2009) and decision support tools. It provides a functional display of data for decision support which can highlight the plots of potential risk regarding the surface runoff, areas which are often shortly extended over catchments (suspended sediment application). Integrated in modelling and mining tools, it allows to catch typologies of the most spatial pattern involved in water quality degradation (herbicides transport model) (Trepos et al., 2012) and test their permanency in time regarding the variations of climate conditions and agricultural practices (Salmon-Monviola et al., 2011). This set of works joins skills in hydrology, agronomy and computer sciences. Aurousseau P., Gascuel-Odoux C., Squividant H., Tortrat F., Cordier M.O., 2009. A plot drainage network as a conceptual tool for the spatial representation of surface flow pathways in agricultural catchments. Computer and Geosciences, 35, 276-288. Gascuel-Odoux C., Aurousseau P., Cordier M.O., Durand P., Garcia F., Masson, V., Salmon-Monviola J., Tortrat F., Trepos, R. 2009. A decision-oriented model to evaluate the effect of land use and management on herbicide contamination in stream water. Environmental modelling and software, 24, 1433-1446. Gascuel-Odoux C., Aurousseau, P., Doray, T., Squividant, H., Macary, F., Uny, D., Grimaldi, C., 2011. Incorporating landscape features in a plot tree structure to represent surface flow connectivity in rural catchments. Hydrological Processes, 25, 3625-3636. Salmon-Monviola J., Gascuel-Odoux C., Garcia F., Tortrat F., Cordier M.O., Masson V., Trepos R., 2011. Simulating the effect of technical and environmental constraints on the spatio-temporal distribution of herbicide applications and stream losses. Agriculture, Environment and Ecosystems, 140, 382-394. Trepos, R., Masson V., Cordier, M.O., Gascuel-Odoux, C., Salmon-Monviola J., 2012. Mining simulation data by rule induction to determine critical source areas of stream water pollution by herbicides. Computers and Electronics in Agriculture 86: 75-88.

Environmental Flow for Sungai Johor Estuary

NASA Astrophysics Data System (ADS)

Adilah, A. Kadir; Zulkifli, Yusop; Zainura, Z. Noor; Bakhiah, Baharim N.

2018-03-01

Sungai Johor estuary is a vital water body in the south of Johor and greatly affects the water quality in the Johor Straits. In the development of the hydrodynamic and water quality models for Sungai Johor estuary, the Environmental Fluid Dynamics Code (EFDC) model was selected. In this application, the EFDC hydrodynamic model was configured to simulate time varying surface elevation, velocity, salinity, and water temperature. The EFDC water quality model was configured to simulate dissolved oxygen (DO), dissolved organic carbon (DOC), chemical oxygen demand (COD), ammoniacal nitrogen (NH3-N), nitrate nitrogen (NO3-N), phosphate (PO4), and Chlorophyll a. The hydrodynamic and water quality model calibration was performed utilizing a set of site specific data acquired in January 2008. The simulated water temperature, salinity and DO showed good and fairly good agreement with observations. The calculated correlation coefficients between computed and observed temperature and salinity were lower compared with the water level. Sensitivity analysis was performed on hydrodynamic and water quality models input parameters to quantify their impact on modeling results such as water surface elevation, salinity and dissolved oxygen concentration. It is anticipated and recommended that the development of this model be continued to synthesize additional field data into the modeling process.

Production of a water quality map of Saginaw Bay by computer processing of LANDSAT-2 data

NASA Technical Reports Server (NTRS)

Mckeon, J. B.; Rogers, R. H.; Smith, V. E.

1977-01-01

Surface truth and LANDSAT measurements collected July 31, 1975, for Saginaw Bay were used to demonstrate a technique for producing a color coded water quality map. On this map, color was used as a code to quantify five discrete ranges in the following water quality parameters: (1) temperature, (2) Secchi depth, (3) chloride, (4) conductivity, (5) total Kjeldahl nitrogen, (6) total phosphorous, (7)chlorophyll a, (8) total solids and (9) suspended solids. The LANDSAT and water quality relationship was established through the use of a set of linear regression equations where the water quality parameters are the dependent variables and LANDSAT measurements are the independent variables. Although the procedure is scene and surface truth dependent, it provides both a basis for extrapolating water quality parameters from point samples to unsampled areas and a synoptic view of water mass boundaries over the 3000 sq. km bay area made from one day's ship data that is superior, in many ways, to the traditional machine contoured maps made from three day's ship data.

Understanding the Steric Height Long Term Variability at the Bermuda Atlantic Time-Series Study (BATS) Site with a Neutral Density Approach

NASA Astrophysics Data System (ADS)

Goncalves Neto, A.; Johnson, R. J.; Bates, N. R.

2016-02-01

Rising sea level is one of the main concerns for human life in a scenario with global atmosphere and ocean warming, which is of particular concern for oceanic islands. Bermuda, located in the center of the Sargasso Sea, provides an ideal location to investigate sea level rise since it has a long term tide gauge (1933-present) and is in close proximity to deep ocean time-series sites, namely, Hydrostation `S' (1954-present) and the Bermuda Atlantic Time-Series Study site (1988-present). In this study, we use the monthly CTD deep casts at BATS to compute the contribution of steric height (SH) to the local sea surface height (SSH) for the past 24 years. To determine the relative contribution from the various water masses we first define 8 layers (Surface Layer, Upper Thermocline, Subtropical Mode-Water, Lower Thermocline, Antarctic Intermediate Water, Labrador Sea Water, Iceland-Scotland Overflow Water, Denmark Strait Overflow Water) based on neutral density criteria for which SH is computed. Additionally, we calculate the thermosteric and halosteric components for each of the defined neutral density layers. Surprisingly, the results show that, despite a 3.3mm/yr sea level rise observed at the Bermuda tide gauge, the steric contribution to the SSH at BATS has decreased at a rate of -1.1mm/yr during the same period. The thermal component is found to account for the negative trend in the steric height (-4.4mm/yr), whereas the halosteric component (3.3mm/yr) partially compensates the thermal signal and can be explained by an overall cooling and freshening at the BATS site. Although the surface layer and the upper thermocline waters are warming, all the subtropical and polar water masses, which represent most of the local water column, are cooling and therefore drive the overall SH contribution to the local SSH. Hence, it suggests that the mass contribution to the local SSH plays an important role in the sea level rise, for which we investigate with GRACE data.

The water cycle in the general circulation model of the martian atmosphere

NASA Astrophysics Data System (ADS)

Shaposhnikov, D. S.; Rodin, A. V.; Medvedev, A. S.

2016-03-01

Within the numerical general-circulation model of the Martian atmosphere MAOAM (Martian Atmosphere: Observation and Modeling), we have developed the water cycle block, which is an essential component of modern general circulation models of the Martian atmosphere. The MAOAM model has a spectral dynamic core and successfully predicts the temperature regime on Mars through the use of physical parameterizations typical of both terrestrial and Martian models. We have achieved stable computation for three Martian years, while maintaining a conservative advection scheme taking into account the water-ice phase transitions, water exchange between the atmosphere and surface, and corrections for the vertical velocities of ice particles due to sedimentation. The studies show a strong dependence of the amount of water that is actively involved in the water cycle on the initial data, model temperatures, and the mechanism of water exchange between the atmosphere and the surface. The general pattern and seasonal asymmetry of the water cycle depends on the size of ice particles, the albedo, and the thermal inertia of the planet's surface. One of the modeling tasks, which results from a comparison of the model data with those of the TES experiment on board Mars Global Surveyor, is the increase in the total mass of water vapor in the model in the aphelion season and decrease in the mass of water ice clouds at the poles. The surface evaporation scheme, which takes into account the turbulent rise of water vapor, on the one hand, leads to the most complete evaporation of ice from the surface in the summer season in the northern hemisphere and, on the other hand, supersaturates the atmosphere with ice due to the vigorous evaporation, which leads to worse consistency between the amount of the precipitated atmospheric ice and the experimental data. The full evaporation of ice from the surface increases the model sensitivity to the size of the polar cap; therefore, the increase in the latter leads to better results. The use of a more accurate dust scenario changes the model temperatures, which also strongly affects the water cycle.

Deep subsurface drip irrigation using coal-bed sodic water: part I. water and solute movement

USGS Publications Warehouse

Bern, Carleton R.; Breit, George N.; Healy, Richard W.; Zupancic, John W.; Hammack, Richard

2013-01-01

Water co-produced with coal-bed methane (CBM) in the semi-arid Powder River Basin of Wyoming and Montana commonly has relatively low salinity and high sodium adsorption ratios that can degrade soil permeability where used for irrigation. Nevertheless, a desire to derive beneficial use from the water and a need to dispose of large volumes of it have motivated the design of a deep subsurface drip irrigation (SDI) system capable of utilizing that water. Drip tubing is buried 92 cm deep and irrigates at a relatively constant rate year-round, while evapotranspiration by the alfalfa and grass crops grown is seasonal. We use field data from two sites and computer simulations of unsaturated flow to understand water and solute movements in the SDI fields. Combined irrigation and precipitation exceed potential evapotranspiration by 300-480 mm annually. Initially, excess water contributes to increased storage in the unsaturated zone, and then drainage causes cyclical rises in the water table beneath the fields. Native chloride and nitrate below 200 cm depth are leached by the drainage. Some CBM water moves upward from the drip tubing, drawn by drier conditions above. Chloride from CBM water accumulates there as root uptake removes the water. Year over year accumulations indicated by computer simulations illustrate that infiltration of precipitation water from the surface only partially leaches such accumulations away. Field data show that 7% and 27% of added chloride has accumulated above the drip tubing in an alfalfa and grass field, respectively, following 6 years of irrigation. Maximum chloride concentrations in the alfalfa field are around 45 cm depth but reach the surface in parts of the grass field, illustrating differences driven by crop physiology. Deep SDI offers a means of utilizing marginal quality irrigation waters and managing the accumulation of their associated solutes in the crop rooting zone.

Image and in situ data integration to derive sawgrass density for surface flow modelling in the Everglades, Florida, USA

USGS Publications Warehouse

Jones, J.W.

2000-01-01

The US Geological Survey is building models of the Florida Everglades to be used in managing south Florida surface water flows for habitat restoration and maintenance. Because of the low gradients in the Everglades, vegetation structural characteristics are very important and greatly influence surface water flow and distribution. Vegetation density is being evaluated as an index of surface resistance to flow. Digital multispectral videography (DMSV) has been captured over several sites just before field collection of vegetation data. Linear regression has been used to establish a relationship between normalized difference vegetation index (NDVI) values computed from the DMSV and field-collected biomass and density estimates. Spatial analysis applied to the DMSV data indicates that thematic mapper (TM) resolution is at the limit required to capture land surface heterogeneity. The TM data collected close to the time of the DMSV will be used to derive a regional sawgrass density map.

Image and in situ data integration to derive sawgrass density for surface flow modelling in the Everglades, Florida, USA

USGS Publications Warehouse

Jones, J.W.

2001-01-01

The US Geological Survey is building models of the Florida Everglades to be used in managing south Florida surface water flows for habitat restoration and maintenance. Because of the low gradients in the Everglades, vegetation structural characteristics are very important and greatly influence surface water flow and distribution. Vegetation density is being evaluated as an index of surface resistance to flow. Digital multispectral videography (DMSV) has been captured over several sites just before field collection of vegetation data. Linear regression has been used to establish a relationship between normalized difference vegetation index (NDVI) values computed from the DMSV and field-collected biomass and density estimates. Spatial analysis applied to the DMSV data indicates that thematic mapper (TM) resolution is at the limit required to capture land surface heterogeneity. The TM data collected close to the time of the DMSV will be used to derive a regional sawgrass density map.

SPH simulation of free surface flow over a sharp-crested weir

NASA Astrophysics Data System (ADS)

Ferrari, Angela

2010-03-01

In this paper the numerical simulation of a free surface flow over a sharp-crested weir is presented. Since in this case the usual shallow water assumptions are not satisfied, we propose to solve the problem using the full weakly compressible Navier-Stokes equations with the Tait equation of state for water. The numerical method used consists of the new meshless Smooth Particle Hydrodynamics (SPH) formulation proposed by Ferrari et al. (2009) [8], that accurately tracks the free surface profile and provides monotone pressure fields. Thus, the unsteady evolution of the complex moving material interface (free surface) can been properly solved. The simulations involving about half a million of fluid particles have been run in parallel on two of the most powerful High Performance Computing (HPC) facilities in Europe. The validation of the results has been carried out analysing the pressure field and comparing the free surface profiles obtained with the SPH scheme with experimental measurements available in literature [18]. A very good quantitative agreement has been obtained.

Economic resilience through "One-Water" management

USGS Publications Warehouse

Hanson, Randall T.; Schmid, Wolfgang

2013-01-01

Disruption of water availability leads to food scarcity and loss of economic opportunity. Development of effective water-resource policies and management strategies could provide resiliance to local economies in the face of water disruptions such as drought, flood, and climate change. To accomplish this, a detailed understanding of human water use and natural water resource availability is needed. A hydrologic model is a computer software system that simulates the movement and use of water in a geographic area. It takes into account all components of the water cycle--“One Water”--and helps estimate water budgets for groundwater, surface water, and landscape features. The U.S. Geological Survey MODFLOW One-Water Integrated Hydrologic Model (MODFLOWOWHM) software and scientific methods can provide water managers and political leaders with hydrologic information they need to help ensure water security and economic resilience.

X-Ray-Based Imaging for Characterizing Heterogeneous Gas Diffusion Layers for Polymer Electrolyte Membrane Fuel Cells

NASA Astrophysics Data System (ADS)

George, Michael G.

Characterization of gas diffusion layers (GDLs) for polymer electrolyte membrane (PEM) fuel cells informs modeling studies and the manufacturers of next generation fuel cell materials. Identifying the physical properties related to the primary functions of the modern GDL (thermal, electrical, and mass transport) is necessary for understanding the impact of GDL design choices. X-ray micro-computed tomographic reconstructions of GDLs were studied to isolate GDL surface morphologies. Surface roughness was measured for a wide variety of samples and a sensitivity study highlighted the scale-dependence of surface roughness measurements. Furthermore, a spatially resolved distribution map of polytetrafluoroethylene (PTFE) in the microporous layer (MPL), critical for water management and mass transport, was identified and the existence of PTFE agglomerations was highlighted. Finally, the impact of accelerated degradation on GDL wettability and water transport increases in liquid water accumulation and oxygen mass transport resistance were quantified as a result of accelerated GDL degradation.

Communication: Is a coarse-grained model for water sufficient to compute Kapitza conductance on non-polar surfaces?

PubMed

Ardham, Vikram Reddy; Leroy, Frédéric

2017-10-21

Coarse-grained models have increasingly been used in large-scale particle-based simulations. However, due to their lack of degrees of freedom, it is a priori unlikely that they straightforwardly represent thermal properties with the same accuracy as their atomistic counterparts. We take a first step in addressing the impact of liquid coarse-graining on interfacial heat conduction by showing that an atomistic and a coarse-grained model of water may yield similar values of the Kapitza conductance on few-layer graphene with interactions ranging from hydrophobic to mildly hydrophilic. By design the water models employed yield similar liquid layer structures on the graphene surfaces. Moreover, they share common vibration properties close to the surfaces and thus couple with the vibrations of graphene in a similar way. These common properties explain why they yield similar Kapitza conductance values despite their bulk thermal conductivity differing by more than a factor of two.

Automated digital magnetofluidics

NASA Astrophysics Data System (ADS)

Schneider, J.; Garcia, A. A.; Marquez, M.

2008-08-01

Drops can be moved in complex patterns on superhydrophobic surfaces using a reconfigured computer-controlled x-y metrology stage with a high degree of accuracy, flexibility, and reconfigurability. The stage employs a DMC-4030 controller which has a RISC-based, clock multiplying processor with DSP functions, accepting encoder inputs up to 22 MHz, provides servo update rates as high as 32 kHz, and processes commands at rates as fast as 40 milliseconds. A 6.35 mm diameter cylindrical NdFeB magnet is translated by the stage causing water drops to move by the action of induced magnetization of coated iron microspheres that remain in the drop and are attracted to the rare earth magnet through digital magnetofluidics. Water drops are easily moved in complex patterns in automated digital magnetofluidics at an average speed of 2.8 cm/s over a superhydrophobic polyethylene surface created by solvent casting. With additional components, some potential uses for this automated microfluidic system include characterization of superhydrophobic surfaces, water quality analysis, and medical diagnostics.

Aluminum/water reactions under extreme conditions

NASA Astrophysics Data System (ADS)

Hooper, Joseph

2013-03-01

We discuss mechanisms that may control the reaction of aluminum and water under extreme conditions. We are particularly interested in the high-temperature, high-strain regime where the native oxide layer is destroyed and fresh aluminum is initially in direct contact with liquid or supercritical water. Disparate experimental data over the years have suggested rapid oxidation of aluminum is possible in such situations, but no coherent picture has emerged as to the basic oxidation mechanism or the physical processes that govern the extent of reaction. We present theoretical and computational analysis of traditional metal/water reaction mechanisms that treat diffusion through a dynamic oxide layer or reaction limited by surface kinetics. Diffusion through a fresh solid oxide layer is shown to be far too slow to have any effect on the millisecond timescale (even at high temperatures). Quantum molecular dynamics simulations of liquid Al and water surface reactions show rapid water decomposition at the interface, catalyzed by adjacent water molecules in a Grotthus-like relay mechanism. The surface reaction barriers are far too low for this to be rate-limiting in any way. With these straightforward mechanisms ruled out, we investigate two more complex possibilities for the rate-limiting factor; first, we explore the possibility that newly formed oxide remains a metastable liquid well below its freezing point, allowing for diffusion-limited reactions through the oxide shell but on a much faster timescale. The extent of reaction would then be controlled by the solidification kinetics of alumina. Second, we discuss preliminary analysis on surface erosion and turbulent mixing, which may play a prominent role during hypervelocity penetration of solid aluminum projectiles into water.

Probabilistic modeling of the flows and environmental risks of nano-silica.

PubMed

Wang, Yan; Kalinina, Anna; Sun, Tianyin; Nowack, Bernd

2016-03-01

Nano-silica, the engineered nanomaterial with one of the largest production volumes, has a wide range of applications in consumer products and industry. This study aimed to quantify the exposure of nano-silica to the environment and to assess its risk to surface waters. Concentrations were calculated for four environmental (air, soil, surface water, sediments) and two technical compartments (wastewater, solid waste) for the EU and Switzerland using probabilistic material flow modeling. The corresponding median concentration in surface water is predicted to be 0.12 μg/l in the EU (0.053-3.3 μg/l, 15/85% quantiles). The concentrations in sediments in the complete sedimentation scenario were found to be the largest among all environmental compartments, with a median annual increase of 0.43 mg/kg · y in the EU (0.19-12 mg/kg · y, 15/85% quantiles). Moreover, probabilistic species sensitivity distributions (PSSD) were computed and the risk of nano-silica in surface waters was quantified by comparing the predicted environmental concentration (PEC) with the predicted no-effect concentration (PNEC) distribution, which was derived from the cumulative PSSD. This assessment suggests that nano-silica currently poses no risk to aquatic organisms in surface waters. Further investigations are needed to assess the risk of nano-silica in other environmental compartments, which is currently not possible due to a lack of ecotoxicological data. Copyright © 2015 Elsevier B.V. All rights reserved.

Structure, dynamics and stability of water/scCO 2/mineral interfaces from ab initio molecular dynamics simulations

DOE PAGES

Lee, Mal -Soon; Peter McGrail, B.; Rousseau, Roger; ...

2015-10-12

Here, the interface between a solid and a complex multi-component liquid forms a unique reaction environment whose structure and composition can significantly deviate from either bulk or liquid phase and is poorly understood due the innate difficulty to obtain molecular level information. Feldspar minerals, as typified by the Ca-end member Anorthite, serve as prototypical model systems to assess the reactivity and ion mobility at solid/water-bearing supercritical fluid (WBSF) interfaces due to recent X-ray based measurements that provide information on water-film formation, and cation vacancies at these surfaces. Using density functional theory based molecular dynamics, which allows the evaluation of reactivitymore » and condensed phase dynamics on equal footing, we report on the structure and dynamics of water nucleation and surface aggregation, carbonation and Ca mobilization under geologic carbon sequestration scenarios (T = 323 K and P = 90 bar). We find that water has a strong enthalpic preference for aggregation on a Ca-rich, O-terminated anorthite (001) surface, but entropy strongly hinders the film formation at very low water concentrations. Carbonation reactions readily occur at electron-rich terminal Oxygen sites adjacent to cation vacancies, when in contact with supercritical CO 2. Cation vacancies of this type can form readily in the presence of a water layer that allows for facile and enthalpicly favorable Ca 2+ extraction and solvation. Apart from providing unprecedented molecular level detail of a complex three component (mineral, water and scCO 2) system), this work highlights the ability of modern capabilities of AIMD methods to begin to qualitatively and quantitatively address structure and reactivity at solid-liquid interfaces of high chemical complexity. This work was supported by the US Department of Energy, Office of Fossil Energy (M.-S. L., B. P. M. and V.-A. G.) and the Office of Basic Energy Science, Division of Chemical Sciences, Geosciences and Biosciences (R.R.), and performed at the Pacific Northwest National Laboratory (PNNL). PNNL is a multi-program national laboratory operated for DOE by Battelle. Computational resources were provided by PNNL’s Platform for Institutional Computing (PIC), the W. R. Wiley Environmental Molecular Science Laboratory (EMSL), a national scientific user facility sponsored by the Department of Energy’s Office of Biological and Environmental Research located at PNNL and the National Energy Research Scientific Computing Center (NERSC) at Lawrence Berkeley National Laboratory.« less

Documentation of a multiple-technique computer program for plotting major-ion composition of natural waters

USGS Publications Warehouse

Briel, L.I.

1993-01-01

A computer program was written to produce 6 different types of water-quality diagrams--Piper, Stiff, pie, X-Y, boxplot, and Piper 3-D--from the same file of input data. The Piper 3-D diagram is a new method that projects values from the surface of a Piper plot into a triangular prism to show how variations in chemical composition can be related to variations in other water-quality variables. This program is an analytical tool to aid in the interpretation of data. This program is interactive, and the user can select from a menu the type of diagram to be produced and a large number of individual features. Alternatively, these choices can be specified in the data file, which provides a batch mode for running the program. The program does not display water-quality diagrams directly; plots are written to a file. Four different plot- file formats are available: device-independent metafiles, Adobe PostScript graphics files, and two Hewlett-Packard graphics language formats (7475 and 7586). An ASCII data-table file is also produced to document the computed values. This program is written in Fortran '77 and uses graphics subroutines from either the PRIOR AGTK or the DISSPLA graphics library. The program has been implemented on Prime series 50 and Data General Aviion computers within the USGS; portability to other computing systems depends on the availability of the graphics library.

Impact of war, precipitation, and water management on quantity of water resources in the Tigris/Euphrates area

NASA Astrophysics Data System (ADS)

Hasan, Mejs; Moody, Aaron

2017-04-01

The fast-paced conflicts in the Middle East have the potential to disrupt management and supply of water resources in the region. In this research, we use the normalized difference water index (NDWI) in order to monitor changes in the extent of various water bodies over the time span of the Landsat 4, 5, 7, and 8 satellites (1984-present). We focused on Mosul and Haditha dam lakes, located on the Tigris and Euphrates Rivers, respectively, each of which has experienced changes in sovereignty over the last few years of conflict. We established two areas, one land and one water, on each image, plotted the distributions of all NDWI values for each area, and used the number of standard deviations between the two distributions in order to set a dynamic NDWI threshold for each image. Using this threshold, we determined water pixels and lake surface area, and computed daily percent change in lake extent between images. Furthermore, we took account of explanatory water resource variables, such as upstream dam management (via surface extent of upstream Turkish dams), precipitation (via globally-compiled databases), evaporation (based on surface area decreases during non-rainy months), and irrigation withdrawals (based on MODIS Enhanced Vegetation Indices). We used these explanatory variables in order to build a general model of expected dam lake surface extent, and we looked to see if anomalies from expected surface area corresponded with periods of conflict. We found that the recent years of conflict do not appear to have had as much impact on the Mosul and Haditha dam lakes as did the conflicts related to the earlier Gulf Wars. The dam lakes have recorded an overall decrease in surface area simultaneous to increases of upstream dams. A strong seasonal signal driven by springtime Turkish snowmelt and summer evaporation is also evident.

Preliminary studies leading toward the development of a LIDAR bathymetry mapping instrument

NASA Astrophysics Data System (ADS)

Hill, John M.; Krenek, Brendan D.; Kunz, Terry D.; Krabill, William; Stetina, Fran

1993-02-01

The National Aeronautics and Space Administration (NASA) at Goddard Space Flight Center (GSFC) has developed a laser ranging device (LIDAR) which provides accurate and timely data of earth features. NASA/GSFC recently modified the sensor to include a scanning capability to produce LIDAR swaths. They have also integrated a Global Positioning System (GPS) and an Inertial Navigation System (INS) to accurately determine the absolute aircraft location and aircraft attitude (pitch, yaw, and roll), respectively. The sensor has been flown in research mode by NASA for many years. The LIDAR has been used in different configurations or modes to acquire such data as altimetry (topography), bathymetry (water depth), laser-induced fluorosensing (tracer dye movements, oil spills and oil thickness, chlorophyll and plant stress identification), forestry, and wetland discrimination studies. NASA and HARC are developing a commercial version of the instrument for topographic mapping applications. The next phase of the commercialization project will be to investigate other applications such as wetlands mapping and coastal bathymetry. In this paper we report on preliminary laboratory measurements to determine the feasibility of making accurate depth measurements in relatively shallow water (approximately 2 to 6 feet deep) using a LIDAR system. The LIDAR bathymetry measurements are relatively simple in theory. The water depth is determined by measuring the time interval between the water surface reflection and the bottom surface reflection signals. Depth is then calculated by dividing by the index of refraction of water. However, the measurements are somewhat complicated due to the convolution of the water surface return signal with the bottom surface return signal. Therefore in addition to the laboratory experiments, computer simulations of the data were made to show these convolution effects in the return pulse waveform due to: (1) water depth, and (2) changes in bottom surface reflectivity.

Preliminary Studies Leading Toward the Development of a LIDAR Bathymetry Mapping Instrument

NASA Technical Reports Server (NTRS)

Hill, John M.; Krenek, Brendan D.; Kunz, Terry D.; Krabill, William; Stetina, Fran

1993-01-01

The National Aeronautics and Space Administration (NASA) at Goddard Space Flight Center (GSFC) has developed a laser ranging device (LIDAR) which provides accurate and timely data of earth features. NASA/GSFC recently modified the sensor to include a scanning capability to produce LIDAR swaths. They have also integrated a Global Positioning System (GPS) and an Inertial Navigation System (INS) to accurately determine the absolute aircraft location and aircraft attitude (pitch, yaw, and roll), respectively. The sensor has been flown in research mode by NASA for many years. The LIDAR has been used in different configurations or modes to acquire such data as altimetry (topography), bathymetry (water depth), laser-induced fluorosensing (tracer dye movements, oil spills and oil thickness, chlorophyll and plant stress identification), forestry, and wetland discrimination studies. NASA and HARC are developing a commercial version of the instrument for topographic mapping applications. The next phase of the commercialization project will be to investigate other applications such as wetlands mapping and coastal bathymetry. In this paper we report on preliminary laboratory measurements to determine the feasibility of making accurate depth measurements in relatively shallow water (approximately 2 to 6 feet deep) using a LIDAR system. The LIDAR bathymetry measurements are relatively simple in theory. The water depth is determined by measuring the time interval between the water surface reflection and the bottom surface reflection signals. Depth is then calculated by dividing by the index of refraction of water. However, the measurements are somewhat complicated due to the convolution of the water surface return signal with the bottom surface return signal. Therefore in addition to the laboratory experiments, computer simulations of the data were made to show these convolution effects in the return pulse waveform due to: (1) water depth, and (2) changes in bottom surface reflectivity.

Everglades Depth Estimation Network (EDEN) Applications: Tools to View, Extract, Plot, and Manipulate EDEN Data

USGS Publications Warehouse

Telis, Pamela A.; Henkel, Heather

2009-01-01

The Everglades Depth Estimation Network (EDEN) is an integrated system of real-time water-level monitoring, ground-elevation data, and water-surface elevation modeling to provide scientists and water managers with current on-line water-depth information for the entire freshwater part of the greater Everglades. To assist users in applying the EDEN data to their particular needs, a series of five EDEN tools, or applications (EDENapps), were developed. Using EDEN's tools, scientists can view the EDEN datasets of daily water-level and ground elevations, compute and view daily water depth and hydroperiod surfaces, extract data for user-specified locations, plot transects of water level, and animate water-level transects over time. Also, users can retrieve data from the EDEN datasets for analysis and display in other analysis software programs. As scientists and managers attempt to restore the natural volume, timing, and distribution of sheetflow in the wetlands, such information is invaluable. Information analyzed and presented with these tools is used to advise policy makers, planners, and decision makers of the potential effects of water management and restoration scenarios on the natural resources of the Everglades.

Assessing the urban water balance: the Urban Water Flow Model and its application in Cyprus.

PubMed

Charalambous, Katerina; Bruggeman, Adriana; Lange, Manfred A

2012-01-01

Modelling the urban water balance enables the understanding of the interactions of water within an urban area and allows for better management of water resources. However, few models today provide a comprehensive overview of all water sources and uses. The objective of the current paper was to develop a user-friendly tool that quantifies and visualizes all water flows, losses and inefficiencies in urban environments. The Urban Water Flow Model was implemented in a spreadsheet and includes a water-savings application that computes the contributions of user-selected saving options to the overall water balance. The model was applied to the coastal town of Limassol, Cyprus, for the hydrologic years 2003/04-2008/09. Data were collected from the different authorities and hydrologic equations and estimations were added to complete the balance. Average precipitation was 363 mm/yr, amounting to 25.4 × 10(6)m(3)/yr, more than double the annual potable water supply to the town. Surface runoff constituted 29.6% of all outflows, while evapotranspiration from impervious areas was 21.6%. Possible potable water savings for 2008/09 were estimated at 5.3 × 10(3) m(3), which is 50% of the total potable water provided to the area. This saving would also result in a 6% reduction of surface runoff.

Rayleigh radiance computations for satellite remote sensing: accounting for the effect of sensor spectral response function.

PubMed

Wang, Menghua

2016-05-30

To understand and assess the effect of the sensor spectral response function (SRF) on the accuracy of the top of the atmosphere (TOA) Rayleigh-scattering radiance computation, new TOA Rayleigh radiance lookup tables (LUTs) over global oceans and inland waters have been generated. The new Rayleigh LUTs include spectral coverage of 335-2555 nm, all possible solar-sensor geometries, and surface wind speeds of 0-30 m/s. Using the new Rayleigh LUTs, the sensor SRF effect on the accuracy of the TOA Rayleigh radiance computation has been evaluated for spectral bands of the Visible Infrared Imaging Radiometer Suite (VIIRS) on the Suomi National Polar-orbiting Partnership (SNPP) satellite and the Joint Polar Satellite System (JPSS)-1, showing some important uncertainties for VIIRS-SNPP particularly for large solar- and/or sensor-zenith angles as well as for large Rayleigh optical thicknesses (i.e., short wavelengths) and bands with broad spectral bandwidths. To accurately account for the sensor SRF effect, a new correction algorithm has been developed for VIIRS spectral bands, which improves the TOA Rayleigh radiance accuracy to ~0.01% even for the large solar-zenith angles of 70°-80°, compared with the error of ~0.7% without applying the correction for the VIIRS-SNPP 410 nm band. The same methodology that accounts for the sensor SRF effect on the Rayleigh radiance computation can be used for other satellite sensors. In addition, with the new Rayleigh LUTs, the effect of surface atmospheric pressure variation on the TOA Rayleigh radiance computation can be calculated precisely, and no specific atmospheric pressure correction algorithm is needed. There are some other important applications and advantages to using the new Rayleigh LUTs for satellite remote sensing, including an efficient and accurate TOA Rayleigh radiance computation for hyperspectral satellite remote sensing, detector-based TOA Rayleigh radiance computation, Rayleigh radiance calculations for high altitude lakes, and the same Rayleigh LUTs are applicable for all satellite sensors over the global ocean and inland waters. The new Rayleigh LUTs have been implemented in the VIIRS-SNPP ocean color data processing for routine production of global ocean color and inland water products.

Competitive adsorption of surfactants and polymers at the free water surface. A computer simulation study of the sodium dodecyl sulfate-poly(ethylene oxide) system.

PubMed

Darvas, Mária; Gilányi, Tibor; Jedlovszky, Pál

2011-02-10

Competitive adsorption of a neutral amphiphilic polymer, namely poly(ethylene oxide) (PEO) and an ionic surfactant, i.e., sodium dodecyl sulfate (SDS), is investigated at the free water surface by computer simulation methods at 298 K. The sampled equilibrium configurations are analyzed in terms of the novel identification of the truly interfacial molecules (ITIM) method, by which the intrinsic surface of the aqueous phase (i.e., its real surface corrugated by the capillary waves) instead of an ideally flat surface approximating its macroscopic surface plane, can be taken into account. In the simulations, the surface density of SDS is gradually increased from zero up to saturation, and the structural, dynamical, and energetic aspects of the gradual squeezing out of the PEO chains from the surface are analyzed in detail. The obtained results reveal that this squeezing out occurs in a rather intricate way. Thus, in the presence of a moderate amount of SDS the majority of the PEO monomer units, forming long bulk phase loops in the absence of SDS, are attracted to the surface of the solution. This synergistic effect of SDS of moderate surface density on the adsorption of PEO is explained by two factors, namely by the electrostatic attraction between the ionic groups of the surfactant and the moderately polar monomer units of the polymer, and by the increase of the conformational entropy of the polymer chain in the presence of the surfactant. This latter effect, thought to be the dominant one among the above two factors, also implies the formation of similar polymer/surfactant complexes at the interface than what are known to exist in the bulk phase of the solution. Finally, in the presence of a large amount of SDS the more surface active surfactant molecules gradually replace the PEO monomer units at the interfacial positions, and squeezing out the PEO molecules from the surface in a monomer unit by monomer unit manner.

SURFACE WATER FLOW IN LANDSCAPE MODELS: 1. EVERGLADES CASE STUDY. (R824766)

EPA Science Inventory

Many landscape models require extensive computational effort using a large array of grid cells that represent the landscape. The number of spatial cells may be in the thousands and millions, while the ecological component run in each of the cells to account for landscape dynamics...

Green-ampt infiltration parameters in riparian buffers

Treesearch

L.M. Stahr; D.E. Eisenhauer; M.J. Helmers; Mike G. Dosskey; T.G. Franti

2004-01-01

Riparian buffers can improve surface water quality by filtering contaminants from runoff before they enter streams. Infiltration is an important process in riparian buffers. Computer models are often used to assess the performance of riparian buffers. Accurate prediction of infiltration by these models is dependent upon accurate estimates of infiltration parameters....

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

McDaniel, Jesse G.; Yethiraj, Arun

The diffusion of protons in self-assembled systems is potentially important for the design of efficient proton exchange membranes. In this work, we study proton dynamics in a low-water content, lamellar phase of an sodium-carboxylate gemini surfactant/water system using computer simulations. The hopping of protons via the Grotthuss mechanism is explicity allowed through the multi-state empirical valence bond (MS-EVB) method. We find that the hydronium ion is trapped on the hydrophobic side of the surfactant-water interface, and proton diffusion then proceeds by hopping between surface sites. The importance of hydrophobic traps is surprising, because one would expect the hydronium ions tomore » be trapped at the charged head-groups. Finally, the physics illustrated in this system should be relevant to the proton dynamics in other amphiphilic membrane systems, whenever there exists exposed hydrophobic surface regions.« less

Computationally Probing the Performance of Hybrid, Heterogeneous, and Homogeneous Iridium-Based Catalysts for Water Oxidation

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

García-Melchor, Max; Vilella, Laia; López, Núria

2016-04-29

An attractive strategy to improve the performance of water oxidation catalysts would be to anchor a homogeneous molecular catalyst on a heterogeneous solid surface to create a hybrid catalyst. The idea of this combined system is to take advantage of the individual properties of each of the two catalyst components. We use Density Functional Theory to determine the stability and activity of a model hybrid water oxidation catalyst consisting of a dimeric Ir complex attached on the IrO 2(110) surface through two oxygen atoms. We find that homogeneous catalysts can be bound to its matrix oxide without losing significant activity.more » Hence, designing hybrid systems that benefit from both the high tunability of activity of homogeneous catalysts and the stability of heterogeneous systems seems feasible.« less

Preliminary skyshine calculations for the Poloidal Diverter Tokamak Experiment

NASA Astrophysics Data System (ADS)

Nigg, D. W.; Wheeler, F. J.

1981-01-01

A calculational model is presented to estimate the radiation dose, due to the skyshine effect, in the control room and at the site boundary of the Poloidal Diverter Experiment (PDX) facility at Princeton University which requires substantial radiation shielding. The required composition and thickness of a water-filled roof shield that would reduce this effect to an acceptable level is computed, using an efficient one-dimensional model with an Sn calculation in slab geometry. The actual neutron skyshine dose is computed using a Monte Carlo model with the neutron source at the roof surface obtained from the slab Sn calculation, and the capture gamma dose is computed using a simple point-kernel single-scatter method. It is maintained that the slab model provides the exact probability of leakage out the top surface of the roof and that it is nearly as accurate as and much less costly than multi-dimensional techniques.

Preliminary skyshine calculations for the Poloidal Diverter Tokamak Experiment

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

Nigg, D.W.; Wheeler, F.J.

1981-01-01

A calculational model is presented to estimate the radiation dose, due to the skyshine effect, in the control room and at the site boundary of the Poloidal Diverter Experiment (PDX) facility at Princeton University which requires substantial radiation shielding. The required composition and thickness of a water-filled roof shield that would reduce this effect to an acceptable level is computed, using an efficient one-dimensional model with an Sn calculation in slab geometry. The actual neutron skyshine dose is computed using a Monte Carlo model with the neutron source at the roof surface obtained from the slab Sn calculation, and themore » capture gamma dose is computed using a simple point-kernel single-scatter method. It is maintained that the slab model provides the exact probability of leakage out the top surface of the roof and that it is nearly as accurate as and much less costly than multi-dimensional techniques.« less

Computational and Spectroscopic Investigations of the Molecular Scale Structure and Dynamics of Geologically Important Fluids and Mineral-Fluid Interfaces

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

R. James Kirkpatrick; Andrey G. Kalinichev

2008-11-25

Research supported by this grant focuses on molecular scale understanding of central issues related to the structure and dynamics of geochemically important fluids, fluid-mineral interfaces, and confined fluids using computational modeling and experimental methods. Molecular scale knowledge about fluid structure and dynamics, how these are affected by mineral surfaces and molecular-scale (nano-) confinement, and how water molecules and dissolved species interact with surfaces is essential to understanding the fundamental chemistry of a wide range of low-temperature geochemical processes, including sorption and geochemical transport. Our principal efforts are devoted to continued development of relevant computational approaches, application of these approaches tomore » important geochemical questions, relevant NMR and other experimental studies, and application of computational modeling methods to understanding the experimental results. The combination of computational modeling and experimental approaches is proving highly effective in addressing otherwise intractable problems. In 2006-2007 we have significantly advanced in new, highly promising research directions along with completion of on-going projects and final publication of work completed in previous years. New computational directions are focusing on modeling proton exchange reactions in aqueous solutions using ab initio molecular dynamics (AIMD), metadynamics (MTD), and empirical valence bond (EVB) approaches. Proton exchange is critical to understanding the structure, dynamics, and reactivity at mineral-water interfaces and for oxy-ions in solution, but has traditionally been difficult to model with molecular dynamics (MD). Our ultimate objective is to develop this capability, because MD is much less computationally demanding than quantum-chemical approaches. We have also extended our previous MD simulations of metal binding to natural organic matter (NOM) to a much longer time scale (up to 10 ns) for significantly larger systems. These calculations have allowed us, for the first time, to study the effects of metal cations with different charges and charge density on the NOM aggregation in aqueous solutions. Other computational work has looked at the longer-time-scale dynamical behavior of aqueous species at mineral-water interfaces investigated simultaneously by NMR spectroscopy. Our experimental NMR studies have focused on understanding the structure and dynamics of water and dissolved species at mineral-water interfaces and in two-dimensional nano-confinement within clay interlayers. Combined NMR and MD study of H2O, Na+, and Cl- interactions with the surface of quartz has direct implications regarding interpretation of sum frequency vibrational spectroscopic experiments for this phase and will be an important reference for future studies. We also used NMR to examine the behavior of K+ and H2O in the interlayer and at the surfaces of the clay minerals hectorite and illite-rich illite-smectite. This the first time K+ dynamics has been characterized spectroscopically in geochemical systems. Preliminary experiments were also performed to evaluate the potential of 75As NMR as a probe of arsenic geochemical behavior. The 75As NMR study used advanced signal enhancement methods, introduced a new data acquisition approach to minimize the time investment in ultra-wide-line NMR experiments, and provides the first evidence of a strong relationship between the chemical shift and structural parameters for this experimentally challenging nucleus. We have also initiated a series of inelastic and quasi-elastic neutron scattering measurements of water dynamics in the interlayers of clays and layered double hydroxides. The objective of these experiments is to probe the correlations of water molecular motions in confined spaces over the scale of times and distances most directly comparable to our MD simulations and on a time scale different than that probed by NMR. This work is being done in collaboration with Drs. C.-K. Loong, N. de Souza, and A.I. Kolesnikov at the Intense Pulsed Neutron Source facility of the Argonne National Lab, and Dr. A. Faraone at the NIST Center for Neutron Research. A manuscript reporting the first results of these experiments, which are highly complimentary to our previous NMR, X-ray, and infra-red results for these phases, is currently in preparation. In total, in 2006-2007 our work has resulted in the publication of 14 peer-reviewed research papers. We also devoted considerable effort to making our work known to a wide range of researchers, as indicated by the 24 contributed abstracts and 14 invited presentations.« less

Comparison of groundwater flow in Southern California coastal aquifers

USGS Publications Warehouse

Hanson, Randall T.; Izbicki, John A.; Reichard, Eric G.; Edwards, Brian D.; Land, Michael; Martin, Peter

2009-01-01

Maintaining the sustainability of Southern California coastal aquifers requires joint management of surface water and groundwater (conjunctive use). This requires new data collection and analyses (including research drilling, modern geohydrologic investigations, and development of detailed computer groundwater models that simulate the supply and demand components separately), implementation of new facilities (including spreading and injection facilities for artificial recharge), and establishment of new institutions and policies that help to sustain the water resources and better manage regional development.

Spectral model for long-term computation of thermodynamics and potential evaporation in shallow wetlands

NASA Astrophysics Data System (ADS)

de la Fuente, Alberto; Meruane, Carolina

2017-09-01

Altiplanic wetlands are unique ecosystems located in the elevated plateaus of Chile, Argentina, Peru, and Bolivia. These ecosystems are under threat due to changes in land use, groundwater extractions, and climate change that will modify the water balance through changes in precipitation and evaporation rates. Long-term prediction of the fate of aquatic ecosystems imposes computational constraints that make finding a solution impossible in some cases. In this article, we present a spectral model for long-term simulations of the thermodynamics of shallow wetlands in the limit case when the water depth tends to zero. This spectral model solves for water and sediment temperature, as well as heat, momentum, and mass exchanged with the atmosphere. The parameters of the model (water depth, thermal properties of the sediments, and surface albedo) and the atmospheric downscaling were calibrated using the MODIS product of the land surface temperature. Moreover, the performance of the daily evaporation rates predicted by the model was evaluated against daily pan evaporation data measured between 1964 and 2012. The spectral model was able to correctly represent both seasonal fluctuation and climatic trends observed in daily evaporation rates. It is concluded that the spectral model presented in this article is a suitable tool for assessing the global climate change effects on shallow wetlands whose thermodynamics is forced by heat exchanges with the atmosphere and modulated by the heat-reservoir role of the sediments.

Packing of nonoverlapping cubic particles: Computational algorithms and microstructural characteristics

NASA Astrophysics Data System (ADS)

Malmir, Hessam; Sahimi, Muhammad; Tabar, M. Reza Rahimi

2016-12-01

Packing of cubic particles arises in a variety of problems, ranging from biological materials to colloids and the fabrication of new types of porous materials with controlled morphology. The properties of such packings may also be relevant to problems involving suspensions of cubic zeolites, precipitation of salt crystals during CO2 sequestration in rock, and intrusion of fresh water in aquifers by saline water. Not much is known, however, about the structure and statistical descriptors of such packings. We present a detailed simulation and microstructural characterization of packings of nonoverlapping monodisperse cubic particles, following up on our preliminary results [H. Malmir et al., Sci. Rep. 6, 35024 (2016), 10.1038/srep35024]. A modification of the random sequential addition (RSA) algorithm has been developed to generate such packings, and a variety of microstructural descriptors, including the radial distribution function, the face-normal correlation function, two-point probability and cluster functions, the lineal-path function, the pore-size distribution function, and surface-surface and surface-void correlation functions, have been computed, along with the specific surface and mean chord length of the packings. The results indicate the existence of both spatial and orientational long-range order as the the packing density increases. The maximum packing fraction achievable with the RSA method is about 0.57, which represents the limit for a structure similar to liquid crystals.

Feasibility of ground-water features of the alternate plan for the Mountain Home project, Idaho

USGS Publications Warehouse

Nace, Raymond L.; West, S.W.; Mowder, R.W.

1957-01-01

An early plan of the U. S. Bureau of Reclamation proposed to irrigate 183,000 acres on the arid Snake River Plain south of Boise, Idaho (Mountain Home project) with Boise River water. That water would have been replaced to the Boise Valley with water imported from the Payette River. An alternate plan, proposed in 1953, would divert water from the Boise River to the plain; part of the water would be replaced by pumping ground water in the Boise valley and by importing water from the Snake River. Pumping of ground water in the Boise Valley also would help to drain waterlogged land. The present report evaluates the feasibility of the alternate plan in relation to geology and the occurrence and quality of ground water. The mean annual temperature at Boise is 50.8 ? F and there is an average of 172 days between killing frosts. The annual evaporation rate from open-water surfaces in the area is about 33 inches. Runoff in the Boise River is chiefly from precipitation on mountain slopes at altitudes above 3,000 feet, east of Boise Diversion Dam. The surface-water supply of the Boise Valley is more Than ample for the valley, owing to large upstream storage and regulatory dams and reservoirs. The valley also contains a large volume of ground water in storage, and the perennial rate of recharge is large. The computed consumptive depletion of surface water in the valley is nearly 600,000 acre-feet a year. Apparent depletion, computed from adjusted runoff at Notus, is 1,070,000 acre-feet. The difference of 470,000 acre-feet represents ground-water underflow and ungaged surface outflow from the area east of Notus. After the beginning of irrigation, around the turn of the century, the water table in the Boise Valley rose steadily; the amount of rise at some places was as much as 140 feet. Shallow perched zones of saturation were created locally. More than 100,000 acres of Boise Valley land now is waterlogged or threatened with waterlogging, despite the presence of more than 325 miles of surface drains. Successful operation of the alternate plan would depend, not only on providing adequate water to replace that exported from the Boise Valley, but also on satisfactory drainage of waterlogged land. That is, water management in the valley would have to couple economical pumping of irrigation water with effective drainage by pumping. The average of recorded yearly diversions from the Boise River is 1,280,000 acre-feet of live water (natural flow in a stream) and 201,000 acre-feet cf recycled water. Gross diversions of record in some recent single years of ample water supply reportedly exceeded 1,800,000 acre-feet. Ground water, on the other hand is used on a relatively small scale, yearly pumpage being only about 150,000 acre-feet. The feasibility of exporting 600,000 acre-feet of Boise River water would depend on the availability of replacement water in the Boise Valley and on the availability of the required surface water in the South Fork of the Boise River at the proposed point of diversion to the Mountain Home project. In 6 of the 20 years, 1931-50, recorded diversions of live and return water from th2 Boise River exceeded the live flow at the Boise Diversion Dam by 3,865 to 107,640 acre-feet. Moreover, although the average residual discharge in the river post Notus was 701,000 acre-feet, in most years some river reaches above Notus were dry at times, owing to diversion of all water from the river. Much of the flow past Notus is surface waste and effluent ground water, which averages about 422,000 acre-feet a year. The total of potential yearly ground water recharge in the Boise Valley, derived from precipitation, incoming underflow, and infiltration of irrigation water, is about 554,000 acre-feet in the feasible exchange-pumping area and areas tributary thereto. Identified and estimated consumptive depletion of ground water in the valley is about 230,000 acre-feet a year, but not all that depletion is within the exchange are

Use of computer programs STLK1 and STWT1 for analysis of stream-aquifer hydraulic interaction

USGS Publications Warehouse

Desimone, Leslie A.; Barlow, Paul M.

1999-01-01

Quantifying the hydraulic interaction of aquifers and streams is important in the analysis of stream base fow, flood-wave effects, and contaminant transport between surface- and ground-water systems. This report describes the use of two computer programs, STLK1 and STWT1, to analyze the hydraulic interaction of streams with confined, leaky, and water-table aquifers during periods of stream-stage fuctuations and uniform, areal recharge. The computer programs are based on analytical solutions to the ground-water-flow equation in stream-aquifer settings and calculate ground-water levels, seepage rates across the stream-aquifer boundary, and bank storage that result from arbitrarily varying stream stage or recharge. Analysis of idealized, hypothetical stream-aquifer systems is used to show how aquifer type, aquifer boundaries, and aquifer and streambank hydraulic properties affect aquifer response to stresses. Published data from alluvial and stratifed-drift aquifers in Kentucky, Massachusetts, and Iowa are used to demonstrate application of the programs to field settings. Analytical models of these three stream-aquifer systems are developed on the basis of available hydrogeologic information. Stream-stage fluctuations and recharge are applied to the systems as hydraulic stresses. The models are calibrated by matching ground-water levels calculated with computer program STLK1 or STWT1 to measured ground-water levels. The analytical models are used to estimate hydraulic properties of the aquifer, aquitard, and streambank; to evaluate hydrologic conditions in the aquifer; and to estimate seepage rates and bank-storage volumes resulting from flood waves and recharge. Analysis of field examples demonstrates the accuracy and limitations of the analytical solutions and programs when applied to actual ground-water systems and the potential uses of the analytical methods as alternatives to numerical modeling for quantifying stream-aquifer interactions.

Innovative Technique for High-Accuracy Remote Monitoring of Surface Water

NASA Astrophysics Data System (ADS)

Gisler, A.; Barton-Grimley, R. A.; Thayer, J. P.; Crowley, G.

2016-12-01

Lidar (light detection and ranging) provides absolute depth and topographic mapping capability compared to other remote sensing methods, which is useful for mapping rapidly changing environments such as riverine systems and agricultural waterways. Effectiveness of current lidar bathymetric systems is limited by the difficulty in unambiguously identifying backscattered lidar signals from the water surface versus the bottom, limiting their depth resolution to 0.3-0.5 m. Additionally these are large, bulky systems that are constrained to expensive aircraft-mounted platforms and use waveform-processing techniques requiring substantial computation time. These restrictions are prohibitive for many potential users. A novel lidar device has been developed that allows for non-contact measurements of water depth down to 1 cm with an accuracy and precision of < 1 cm by exploiting the polarization properties of the light-surface interaction. This system can transition seamlessly from ranging over land to shallow to deep water allowing for shoreline charting, measuring water volume, mapping bottom topology, and identifying submerged objects. The scalability of the technique opens up the ability for handheld or UAS-mounted lidar bathymetric systems, which provides for potential applications currently unavailable to the community. The high laser pulse repetition rate allows for very fine horizontal resolution while the photon-counting technique permits real-time depth measurement and object detection. The enhanced measurement capability, portability, scalability, and relatively low-cost creates the opportunity to perform frequent high-accuracy monitoring and measuring of aquatic environments which is crucial for monitoring water resources on fast timescales. Results from recent campaigns measuring water depth in flowing creeks and murky ponds will be presented which demonstrate that the method is not limited by rough water surfaces and can map underwater topology through moderately turbid water.

Use of spacecraft data to derive regions on Mars where liquid water would be stable

PubMed Central

Lobitz, Brad; Wood, Byron L.; Averner, Maurice M.; McKay, Christopher P.

2001-01-01

Combining Viking pressure and temperature data with Mars Orbital Laser Altimeter topography data, we have computed the fraction of the martian year during which pressure and temperature allow for liquid water to be stable on the martian surface. We find that liquid water would be stable within the Hellas and Argyre basin and over the northern lowlands equatorward of about 40°. The location with the maximum period of stable conditions for liquid water is in the southeastern portion of Utopia Planitia, where 34% of the year liquid water would be stable if it were present. Locations of stability appear to correlate with the distribution of valley networks. PMID:11226204

Use of Spacecraft Data to Drive Regions on Mars where Liquid Water would be Stable

NASA Technical Reports Server (NTRS)

Lobitz, Brad; Wood, Byron L.; Averner, Maurice M.; McKay, Christopher P.; MacElroy, Robert D.

2001-01-01

Combining Viking pressure and temperature data with Mars Orbital Laser Altimeter (MOLA) topography data we have computed the fraction of the martian year during which pressure and temperature allow for liquid water to be stable on the martian surface. We find that liquid water would be stable within the Hellas and Argyre basin and over the northern lowlands equatorward of about 40 degrees. The location with the maximum period of stable conditions for liquid water is in the southeastern portion of Utopia Planitia where 34% of the year liquid water would be stable if it was present. Locations of stability appear to correlate with the distribution of valley networks.

Stream profile analysis using a step backwater model for selected reaches in the Chippewa Creek basin in Medina, Wayne, and Summit Counties, Ohio

USGS Publications Warehouse

Straub, David E.; Ebner, Andrew D.

2011-01-01

The USGS, in cooperation with the Chippewa Subdistrict of the Muskingum Watershed Conservancy District, performed hydrologic and hydraulic analyses for selected reaches of three streams in Medina, Wayne, Stark, and Summit Counties in northeast Ohio: Chippewa Creek, Little Chippewa Creek, and River Styx. This study was done to facilitate assessment of various alternatives for mitigating flood hazards in the Chippewa Creek basin. StreamStats regional regression equations were used to estimate instantaneous peak discharges approximately corresponding to bankfull flows. Explanatory variables used in the regression equations were drainage area, main-channel slope, and storage area. Hydraulic models were developed to determine water-surface profiles along the three stream reaches studied for the bankfull discharges established in the hydrologic analyses. The HEC-RAS step-backwater hydraulic analysis model was used to determine water-surface profiles for the three streams. Starting water-surface elevations for all streams were established using normal depth computations in the HEC-RAS models. Cross-sectional elevation data, hydraulic-structure geometries, and roughness coefficients were collected in the field and (along with peak-discharge estimates) used as input for the models. Reach-averaged reductions in water-surface elevations ranged from 0.11 to 1.29 feet over the four roughness coefficient reduction scenarios.

System on chip (SOC) wi-fi microcontroller for multistation measurement of water surface level using ultrasonic sensor

NASA Astrophysics Data System (ADS)

Suryono, Suryono; Purnomo Putro, Sapto; Widowati; Adhy, Satriyo

2018-05-01

Experimental results of data acquisition and transmission of water surface level from the field using System on Chip (SOC) Wi-Fi microcontroller are described here. System on Chip (SOC) Wi-Fi microcontroller is useful in dealing with limitations of in situ measurement by people. It is expected to address the problem of field instrumentation such as complexities in electronic circuit, power supply, efficiency, and automation of digital data acquisition. The system developed here employs five (5) nodes consisting of ultrasonic water surface level sensor using (SOC) Wi-Fi microcontroller. The five nodes are connected to a Wi-Fi router as the gateway to send multi-station data to a computer host. Measurement of water surface level using SOC Wi-Fi microcontroller manages conduct multi-station communication via database service programming that is capable of inputting every data sent to the database record according to the identity of data sent. The system here has a measurement error of 0.65 cm, while in terms of range, communication between data node to gateway varies in distance from 25 m to 45 m. Communication has been successfully conducted from one Wi-Fi gateway to the other that further improvement for its multi-station range is a certain possibility.

Unmanned aerial vehicle observations of water surface elevation and bathymetry in the cenotes and lagoons of the Yucatan Peninsula, Mexico

NASA Astrophysics Data System (ADS)

Bandini, Filippo; Lopez-Tamayo, Alejandro; Merediz-Alonso, Gonzalo; Olesen, Daniel; Jakobsen, Jakob; Wang, Sheng; Garcia, Monica; Bauer-Gottwein, Peter

2018-04-01

Observations of water surface elevation (WSE) and bathymetry of the lagoons and cenotes of the Yucatán Peninsula (YP) in southeast Mexico are of hydrogeological interest. Observations of WSE (orthometric water height above mean sea level, amsl) are required to inform hydrological models, to estimate hydraulic gradients and groundwater flow directions. Measurements of bathymetry and water depth (elevation of the water surface above the bed of the water body) improve current knowledge on how lagoons and cenotes connect through the complicated submerged cave systems and the diffuse flow in the rock matrix. A novel approach is described that uses unmanned aerial vehicles (UAVs) to monitor WSE and bathymetry of the inland water bodies on the YP. UAV-borne WSE observations were retrieved using a radar and a global navigation satellite system on-board a multi-copter platform. Water depth was measured using a tethered floating sonar controlled by the UAV. This sonar provides depth measurements also in deep and turbid water. Bathymetry (wet-bed elevation amsl) can be computed by subtracting water depth from WSE. Accuracy of the WSE measurements is better than 5-7 cm and accuracy of the water depth measurements is estimated to be 3.8% of the actual water depth. The technology provided accurate measurements of WSE and bathymetry in both wetlands (lagoons) and cenotes. UAV-borne technology is shown to be a more flexible and lower cost alternative to manned aircrafts. UAVs allow monitoring of remote areas located in the jungle of the YP, which are difficult to access by human operators.

Periodic density functional theory calculations of bulk and the (010) surface of goethite

PubMed Central

Kubicki, James D; Paul, Kristian W; Sparks, Donald L

2008-01-01

Background Goethite is a common and reactive mineral in the environment. The transport of contaminants and anaerobic respiration of microbes are significantly affected by adsorption and reduction reactions involving goethite. An understanding of the mineral-water interface of goethite is critical for determining the molecular-scale mechanisms of adsorption and reduction reactions. In this study, periodic density functional theory (DFT) calculations were performed on the mineral goethite and its (010) surface, using the Vienna Ab Initio Simulation Package (VASP). Results Calculations of the bulk mineral structure accurately reproduced the observed crystal structure and vibrational frequencies, suggesting that this computational methodology was suitable for modeling the goethite-water interface. Energy-minimized structures of bare, hydrated (one H2O layer) and solvated (three H2O layers) (010) surfaces were calculated for 1 × 1 and 3 × 3 unit cell slabs. A good correlation between the calculated and observed vibrational frequencies was found for the 1 × 1 solvated surface. However, differences between the 1 × 1 and 3 × 3 slab calculations indicated that larger models may be necessary to simulate the relaxation of water at the interface. Comparison of two hydrated surfaces with molecularly and dissociatively adsorbed H2O showed a significantly lower potential energy for the former. Conclusion Surface Fe-O and (Fe)O-H bond lengths are reported that may be useful in surface complexation models (SCM) of the goethite (010) surface. These bond lengths were found to change significantly as a function of solvation (i.e., addition of two extra H2O layers above the surface), indicating that this parameter should be carefully considered in future SCM studies of metal oxide-water interfaces. PMID:18477389

Detection And Mapping (DAM) package. Volume 4A: Software System Manual, part 1

NASA Technical Reports Server (NTRS)

Schlosser, E. H.

1980-01-01

The package is an integrated set of manual procedures, computer programs, and graphic devices designed for efficient production of precisely registered and formatted maps from digital LANDSAT multispectral scanner (MSS) data. The software can be readily implemented on any Univac 1100 series computer with standard peripheral equipment. This version of the software includes predefined spectral limits for use in classifying and mapping surface water for LANDSAT-1, LANDSAT-2, and LANDSAT-3. Tape formats supported include X, AM, and PM.

The use of ERTS imagery in reservoir management and operation

NASA Technical Reports Server (NTRS)

Cooper, S. (Principal Investigator)

1973-01-01

There are no author-identified significant results in this report. Preliminary analysis of ERTS-1 imagery suggests that the configuration and areal coverage of surface waters, as well as other hydrologically related terrain features, may be obtained from ERTS-1 imagery to an extent that would be useful. Computer-oriented pattern recognition techniques are being developed to help automate the identification and analysis of hydrologic features. Considerable man-machine interaction is required while training the computer for these tasks.

Titanium based flat heat pipes for computer chip cooling

NASA Astrophysics Data System (ADS)

Soni, Gaurav; Ding, Changsong; Sigurdson, Marin; Bozorgi, Payam; Piorek, Brian; MacDonald, Noel; Meinhart, Carl

2008-11-01

We are developing a highly conductive flat heat pipe (called Thermal Ground Plane or TGP) for cooling computer chips. Conventional heat pipes have circular cross sections and thus can't make good contact with chip surface. The flatness of our TGP will enable conformal contact with the chip surface and thus enhance cooling efficiency. Another limiting factor in conventional heat pipes is the capillary flow of the working fluid through a wick structure. In order to overcome this limitation we have created a highly porous wick structure on a flat titanium substrate by using micro fabrication technology. We first etch titanium to create very tall micro pillars with a diameter of 5 μm, a height of 40 μm and a pitch of 10 μm. We then grow a very fine nano structured titania (NST) hairs on all surfaces of the pillars by oxidation in H202. In this way we achieve a wick structure which utilizes multiple length scales to yield high performance wicking of water. It's capable of wicking water at an average velocity of 1 cm/s over a distance of several cm. A titanium cavity is laser-welded onto the wicking substrate and a small quantity of water is hermetically sealed inside the cavity to achieve a TGP. The thermal conductivity of our preliminary TGP was measured to be 350 W/m-K, but has the potential to be several orders of magnitude higher.

A robust, finite element model for hydrostatic surface water flows

USGS Publications Warehouse

Walters, R.A.; Casulli, V.

1998-01-01

A finite element scheme is introduced for the 2-dimensional shallow water equations using semi-implicit methods in time. A semi-Lagrangian method is used to approximate the effects of advection. A wave equation is formed at the discrete level such that the equations decouple into an equation for surface elevation and a momentum equation for the horizontal velocity. The convergence rates and relative computational efficiency are examined with the use of three test cases representing various degrees of difficulty. A test with a polar-quadrant grid investigates the response to local grid-scale forcing and the presence of spurious modes, a channel test case establishes convergence rates, and a field-scale test case examines problems with highly irregular grids.A finite element scheme is introduced for the 2-dimensional shallow water equations using semi-implicit methods in time. A semi-Lagrangian method is used to approximate the effects of advection. A wave equation is formed at the discrete level such that the equations decouple into an equation for surface elevation and a momentum equation for the horizontal velocity. The convergence rates and relative computational efficiency are examined with the use of three test cases representing various degrees of difficulty. A test with a polar-quadrant grid investigates the response to local grid-scale forcing and the presence of spurious modes, a channel test case establishes convergence rates, and a field-scale test case examines problems with highly irregular grids.

The effect of surface boundary conditions on the climate generated by a coarse-mesh general circulation model

NASA Technical Reports Server (NTRS)

Cohen, C.

1981-01-01

A hierarchy of experiments was run, starting with an all water planet with zonally symmetric sea surface temperatures, then adding, one at a time, flat continents, mountains, surface physics, and realistic sea surface temperatures. The model was run with the sun fixed at a perpetual January. Ensemble means and standard deviations were computed and the t-test was used to determine the statistical significance of the results. The addition of realistic surface physics does not affect the model climatology to as large as extent as does the addition of mountains. Departures from zonal symmetry of the SST field result in a better simulation of the real atmosphere.

A low diffusive Lagrange-remap scheme for the simulation of violent air-water free-surface flows

NASA Astrophysics Data System (ADS)

Bernard-Champmartin, Aude; De Vuyst, Florian

2014-10-01

In 2002, Després and Lagoutière [17] proposed a low-diffusive advection scheme for pure transport equation problems, which is particularly accurate for step-shaped solutions, and thus suited for interface tracking procedure by a color function. This has been extended by Kokh and Lagoutière [28] in the context of compressible multifluid flows using a five-equation model. In this paper, we explore a simplified variant approach for gas-liquid three-equation models. The Eulerian numerical scheme has two ingredients: a robust remapped Lagrange solver for the solution of the volume-averaged equations, and a low diffusive compressive scheme for the advection of the gas mass fraction. Numerical experiments show the performance of the computational approach on various flow reference problems: dam break, sloshing of a tank filled with water, water-water impact and finally a case of Rayleigh-Taylor instability. One of the advantages of the present interface capturing solver is its natural implementation on parallel processors or computers.

Monitoring of the Earth's surface deformation in the area of water dam Zarnowiec

NASA Astrophysics Data System (ADS)

Mojzes, Marcel; Wozniak, Marek; Habel, Branislav; Macak, Marek

2017-04-01

Mathematical and physical research directly motivates geodetic community which can provide very accurate measurements for testing of the proposed models Earth's surface motion near the water dams should be monitored due to the security of the area. This is a process which includes testing of existing models and their physical parameters. Change of the models can improve the practical results for analyzing the trends of motion in the area of upper reservoir of water dam Zarnowiec. Since 1998 Warsaw University of Technology realized a research focused on the horizontal displacements of the upper reservoir of water dam Zarnowiec. The 15 selected control points located on the upper reservoir crown of the water dam were monitored by classical distance measurements. It was found out that changes in the object's geometry occur due to the variation of the water level. The control measurements of the changes in the object's geometry occurring during the process of emptying and filling of the upper reservoir of water dam were compared with the deformations computed using improved Boussinesqués method programmed in the software MATLAB and ANSYS for elastic and isotropic half space as derivation of suitable potentials extended to the loaded region. The details and numerical results of this process are presented This presentation was prepared within the project "National Centre for Diagnostic of the Earth's Surface Deformations in the Area of Slovakia", ITMS code: 26220220108.

Three-dimensional digital-computer model of the Ferron sandstone aquifer near Emery, Utah

USGS Publications Warehouse

Morrissey, Daniel J.; Lines, Gregory C.; Bartholoma, Scott D.

1980-01-01

A three-dimensional finite-difference computer model of the Ferron sandstone aquifer was used to simulate groundwater flow in the Emery coal field in east-central Utah. The model also was used to predict the effects of proposed surface mining and the resulting mine dewatering on potentiometric surfaces of the aquifer. The model was calibrated in a steady-state simulation using water levels and manmade discharges from the aquifer that were observed during 1979. Too few data were available to verify the calibrated model in a transient-state simulation with historical aquifer response to manmade discharges. Predictions made with the model are considered to be semiquantitative. Discharge from the proposed surface mine was predicted to average 0.3 cubic foot per second through 15 years of operation. Drawdowns of 5 feet in the potentiometric surface of the aquifer were predicted to extend as much as 3 miles from the proposed mine after 15 years of operation. (USGS)

A magnetic fluid seal for rotary blood pumps: Behaviors of magnetic fluids in a magnetic fluid seal.

PubMed

Mitamura, Yoshinori; Yano, Tetsuya; Nakamura, Wataru; Okamoto, Eiji

2013-01-01

A magnetic fluid (MF) seal has excellent durability. The performance of an MF seal, however, has been reported to decrease in liquids (several days). We have developed an MF seal that has a shield mechanism. The seal was perfect for 275 days in water. To investigate the effect of a shield, behaviors of MFs in a seal in water were studied both experimentally and computationally. (a) Two kinds of MF seals, one with a shield and one without a shield, were installed in a centrifugal pump. Behaviors of MFs in the seals in water were observed with a video camera and high-speed microscope. In the seal without a shield, the surface of the water in the seal waved and the turbulent flow affected behaviors of the MFs. In contrast, MFs rotated stably in the seal with a shield in water even at high rotational speeds. (b) Computational fluid dynamics analysis revealed that a stationary secondary flow pattern in the seal and small velocity difference between magnetic fluid and water at the interface. These MF behaviors prolonged the life of an MF seal in water.

CFD Lagrangian Modeling of Water Droplet Transport for ISS Hygiene Activity Application

NASA Technical Reports Server (NTRS)

Son, Chang H.

2013-01-01

The goal of this study was to assess the impacts of free water propagation in the Waste and Hygiene Compartment (WHC) installed in Node 3. Free water can be generated inside the WHC in small quantities due to crew hygiene activity. To mitigate potential impact of free water in Node 3 cabin the WHC doorway is enclosed by a waterproof bump-out, Kabin, with openings at the top and bottom. At the overhead side of the rack, there is a screen that prevents large drops of water from exiting. However, as the avionics fan in the WHC causes airflow toward the deck side of the rack, small quantities of free water may exit at the bottom of the Kabin. A Computational Fluid Dynamics (CFD) analysis of Node 3 cabin airflow enable identifying the paths of water transport. To simulate the droplet transport the Lagrangian discrete phase approach was used. Various initial droplet distributions were considered in the study. The droplet diameter was varied in the range of 5-20 mm. The results of the computations showed that most of the drops fall to the rack surface not far from the WHC curtain.

Application of multiphase modelling for vortex occurrence in vertical pump intake - a review

NASA Astrophysics Data System (ADS)

Samsudin, M. L.; Munisamy, K. M.; Thangaraju, S. K.

2015-09-01

Vortex formation within pump intake is one of common problems faced for power plant cooling water system. This phenomenon, categorised as surface and sub-surface vortices, can lead to several operational problems and increased maintenance costs. Physical model study was recommended from published guidelines but proved to be time and resource consuming. Hence, the use of Computational Fluid Dynamics (CFD) is an attractive alternative in managing the problem. At the early stage, flow analysis was conducted using single phase simulation and found to find good agreement with the observation from physical model study. With the development of computers, multiphase simulation found further enhancement in obtaining accurate results for representing air entrainment and sub-surface vortices which were earlier not well predicted from the single phase simulation. The purpose of this paper is to describe the application of multiphase modelling with CFD analysis for investigating vortex formation for a vertically inverted pump intake. In applying multiphase modelling, there ought to be a balance between the acceptable usage for computational time and resources and the degree of accuracy and realism in the results as expected from the analysis.

Project summaries

NASA Technical Reports Server (NTRS)

1990-01-01

Lunar base projects, including a reconfigurable lunar cargo launcher, a thermal and micrometeorite protection system, a versatile lifting machine with robotic capabilities, a cargo transport system, the design of a road construction system for a lunar base, and the design of a device for removing lunar dust from material surfaces, are discussed. The emphasis on the Gulf of Mexico project was on the development of a computer simulation model for predicting vessel station keeping requirements. An existing code, used in predicting station keeping requirements for oil drilling platforms operating in North Shore (Alaska) waters was used as a basis for the computer simulation. Modifications were made to the existing code. The input into the model consists of satellite altimeter readings and water velocity readings from buoys stationed in the Gulf of Mexico. The satellite data consists of altimeter readings (wave height) taken during the spring of 1989. The simulation model predicts water velocity and direction, and wind velocity.

A computer simulation of the plasma leakage through a vascular prosthesis made of expanded polytetrafluoroethylene.

PubMed

Tabata, R; Kobayashi, T; Mori, A; Matsuno, S; Watarida, S; Onoe, M; Sugita, T; Shiraisi, S; Nojima, T

1993-04-01

We explored the blood-retaining mechanism of a vascular prosthesis made of expanded polytetrafluoroethylene through analysis of its structure and physicochemical properties. Plasma leakage through this vascular prosthesis was simulated by computer to explore its etiology. These examinations disclosed that leakage is dependent upon the inner pressure and the density of fibers. In other words, the study revealed that the mean distance between fibers constituting the wall of the expanded polytetrafluoroethylene vascular prosthesis is increased by tension (that is, inner pressure), resulting in an increased probability of leakage. It was additionally found that a thin membrane is formed on the polytetrafluoroethylene surface if blood in contact with the surface is dried. This membrane was found to reduce the water-repelling property of polytetrafluoroethylene and to make it impossible to preserve the inter-fiber liquid surface, thus causing leakage through the expanded polytetrafluoroethylene vascular prosthesis.

Assessment of Effectiveness of Geologic Isolation Systems. Variable thickness transient ground-water flow model. Volume 2. Users' manual

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

Reisenauer, A.E.

1979-12-01

A system of computer codes to aid in the preparation and evaluation of ground-water model input, as well as in the computer codes and auxillary programs developed and adapted for use in modeling major ground-water aquifers is described. The ground-water model is interactive, rather than a batch-type model. Interactive models have been demonstrated to be superior to batch in the ground-water field. For example, looking through reams of numerical lists can be avoided with the much superior graphical output forms or summary type numerical output. The system of computer codes permits the flexibility to develop rapidly the model-required data filesmore » from engineering data and geologic maps, as well as efficiently manipulating the voluminous data generated. Central to these codes is the Ground-water Model, which given the boundary value problem, produces either the steady-state or transient time plane solutions. A sizeable part of the codes available provide rapid evaluation of the results. Besides contouring the new water potentials, the model allows graphical review of streamlines of flow, travel times, and detailed comparisons of surfaces or points at designated wells. Use of the graphics scopes provide immediate, but temporary displays which can be used for evaluation of input and output and which can be reproduced easily on hard copy devices, such as a line printer, Calcomp plotter and image photographs.« less

Spatial Distribution of Ground-Water Recharge Estimated with a Water-Budget Method for the Jordan Creek Watershed, Lehigh County, Pennsylvania

USGS Publications Warehouse

Risser, Dennis W.

2008-01-01

This report presents the results of a study by the U.S. Geological Survey, in cooperation with the Pennsylvania Geological Survey, to illustrate a water-budget method for mapping the spatial distribution of ground-water recharge for a 76-square-mile part of the Jordan Creek watershed, northwest of Allentown, in Lehigh County, Pennsylvania. Recharge was estimated by using the Hydrological Evaluation of Landfill Performance (HELP) water-budget model for 577 landscape units in Jordan Creek watershed, delineated on the basis of their soils, land use/land cover, and mean annual precipitation during 1951-2000. The water-budget model routes precipitation falling on each landscape unit to components of evapotranspiration, surface runoff, storage, and vertical percolation (recharge) for a five-layer soil column on a daily basis. The spatial distribution of mean annual recharge during 1951-2000 for each landscape unit was mapped by the use of a geographic information system. Recharge simulated by the water-budget model in Jordan Creek watershed during 1951-2000 averaged 12.3 inches per year and ranged by landscape unit from 0.11 to 17.05 inches per year. Mean annual recharge during 1951-2000 simulated by the water-budget model was most sensitive to changes to input values for precipitation and runoff-curve number. Mean annual recharge values for the crop, forest, pasture, and low-density urban land-use/land-cover classes were similar (11.2 to 12.2 inches per year) but were substantially less for high-density urban (6.8 inches per year), herbaceous wetlands (2.5 inches per year), and forested wetlands (1.3 inches per year). Recharge rates simulated for the crop, forest, pasture, and low-density urban land-cover classes were similar because those land-use/land-cover classes are represented in the model with parameter values that either did not significantly affect simulated recharge or tended to have offsetting effects on recharge. For example, for landscapes with forest land cover, values of runoff-curve number assigned to the model were smaller than for other land-use/land-cover classes (causing more recharge and less runoff), but the maximum depth of evapotranspiration was larger than for other land-use/ land-cover classes because of deeper root penetration in forests (causing more evapotranspiration and less recharge). The smaller simulated recharge for high-density urban and wetland land-use/land-cover classes was caused by the large values of runoff-curve number (greater than 90) assigned to those classes. The large runoff-curve number, however, certainly is not realistic for all wetlands; some wetlands act as areas of ground-water discharge and some as areas of recharge. Simulated mean annual recharge computed by the water-budget model for the 53-square-mile part of the watershed upstream from the streamflow-gaging station near Schnecksville was compared to estimates of recharge and base flow determined by analysis of streamflow records from 1967 to 2000. The mean annual recharge of 12.4 inches per year simulated by the water-budget method for 1967-2000 was less than estimates of mean annual recharge of 19.3 inches per year computed from the RORA computer program and base flow computed by the PART computer program (15.1 inches per year). In theory, the water-budget method provides a practical tool for estimating differences in recharge at local scales of interest, and the watershed- average recharge rate of 12.4 inches per year computed by the method is reasonable. However, the mean annual surface runoff of 4.5 inches per year simulated by the model is unrealistically small. The sum of surface runoff and recharge simulated by the water-budget model (16.9 inches per year) is 7 inches per year less than the streamflow measured at the gaging station near Schnecksville (23.9 inches per year) during 1967-2000, indicating that evapotranspiration is overestimated by the water-budget model by that amount. This discrepancy ca

The liquid-liquid transition in supercooled ST2 water: a comparison between umbrella sampling and well-tempered metadynamics.

PubMed

Palmer, Jeremy C; Car, Roberto; Debenedetti, Pablo G

2013-01-01

We investigate the metastable phase behaviour of the ST2 water model under deeply supercooled conditions. The phase behaviour is examined using umbrella sampling (US) and well-tempered metadynamics (WT-MetaD) simulations to compute the reversible free energy surface parameterized by density and bond-orientation order. We find that free energy surfaces computed with both techniques clearly show two liquid phases in coexistence, in agreement with our earlier US and grand canonical Monte Carlo calculations [Y. Liu, J. C. Palmer, A. Z. Panagiotopoulos and P. G. Debenedetti, J Chem Phys, 2012, 137, 214505; Y. Liu, A. Z. Panagiotopoulos and P. G. Debenedetti, J Chem Phys, 2009, 131, 104508]. While we demonstrate that US and WT-MetaD produce consistent results, the latter technique is estimated to be more computationally efficient by an order of magnitude. As a result, we show that WT-MetaD can be used to study the finite-size scaling behaviour of the free energy barrier separating the two liquids for systems containing 192, 300 and 400 ST2 molecules. Although our results are consistent with the expected N(2/3) scaling law, we conclude that larger systems must be examined to provide conclusive evidence of a first-order phase transition and associated second critical point.

Linear error analysis of slope-area discharge determinations

USGS Publications Warehouse

Kirby, W.H.

1987-01-01

The slope-area method can be used to calculate peak flood discharges when current-meter measurements are not possible. This calculation depends on several quantities, such as water-surface fall, that are subject to large measurement errors. Other critical quantities, such as Manning's n, are not even amenable to direct measurement but can only be estimated. Finally, scour and fill may cause gross discrepancies between the observed condition of the channel and the hydraulic conditions during the flood peak. The effects of these potential errors on the accuracy of the computed discharge have been estimated by statistical error analysis using a Taylor-series approximation of the discharge formula and the well-known formula for the variance of a sum of correlated random variates. The resultant error variance of the computed discharge is a weighted sum of covariances of the various observational errors. The weights depend on the hydraulic and geometric configuration of the channel. The mathematical analysis confirms the rule of thumb that relative errors in computed discharge increase rapidly when velocity heads exceed the water-surface fall, when the flow field is expanding and when lateral velocity variation (alpha) is large. It also confirms the extreme importance of accurately assessing the presence of scour or fill. ?? 1987.

Assessing the capability of EOS sensors in measuring ocean-atmosphere moisture exchange

NASA Technical Reports Server (NTRS)

Liu, W. T.

1985-01-01

As part of the Science Synergism Studies to identify interdisciplinary Scientific studies, which could be addressed by the Environmental Observing System (EOS), the techniques being developed to measure ocean-atmosphere moisture exchanges using satellite sensors were evaluated. Studies required to use sensors proposed for EOS were examined. A method has been developed to compute the moisture flux using the wind speed, sea surface temperature, and preciptable water measured by satellite sensors. It relies on a statistical model which predicts surface-level humidity from precipitable water. The Scanning Multichannel Microwave Radiometer (SMMR) measures all 3 parameters and was found to be sensitive to the annual cycle and large interannual variations such as the 1982 to 1983 El Nino. There are systematic differences between geophysical parameters measured by Nimbus/SMMR and in situ measurements. After quadratic trends and crosstalks were removed from the parameters through multivariate regressions, the latent heat fluxes computed from SMMR agree with those computed from ship reports to within 30 W/sq m. The poor quality of ship reports may be the cause of a portion of this scatter. Similar results are found using SEASAT/SMMR data. When the scatterometer winds were used instead of the SMMR winds, the difference between the satellite fluxes and the ship fluxes was reduced.

Multilevel summation method for electrostatic force evaluation.

PubMed

Hardy, David J; Wu, Zhe; Phillips, James C; Stone, John E; Skeel, Robert D; Schulten, Klaus

2015-02-10

The multilevel summation method (MSM) offers an efficient algorithm utilizing convolution for evaluating long-range forces arising in molecular dynamics simulations. Shifting the balance of computation and communication, MSM provides key advantages over the ubiquitous particle–mesh Ewald (PME) method, offering better scaling on parallel computers and permitting more modeling flexibility, with support for periodic systems as does PME but also for semiperiodic and nonperiodic systems. The version of MSM available in the simulation program NAMD is described, and its performance and accuracy are compared with the PME method. The accuracy feasible for MSM in practical applications reproduces PME results for water property calculations of density, diffusion constant, dielectric constant, surface tension, radial distribution function, and distance-dependent Kirkwood factor, even though the numerical accuracy of PME is higher than that of MSM. Excellent agreement between MSM and PME is found also for interface potentials of air–water and membrane–water interfaces, where long-range Coulombic interactions are crucial. Applications demonstrate also the suitability of MSM for systems with semiperiodic and nonperiodic boundaries. For this purpose, simulations have been performed with periodic boundaries along directions parallel to a membrane surface but not along the surface normal, yielding membrane pore formation induced by an imbalance of charge across the membrane. Using a similar semiperiodic boundary condition, ion conduction through a graphene nanopore driven by an ion gradient has been simulated. Furthermore, proteins have been simulated inside a single spherical water droplet. Finally, parallel scalability results show the ability of MSM to outperform PME when scaling a system of modest size (less than 100 K atoms) to over a thousand processors, demonstrating the suitability of MSM for large-scale parallel simulation.

Quantum mechanical/molecular mechanical modeling finds Diels-Alder reactions are accelerated less on the surface of water than in water.

PubMed

Thomas, Laura L; Tirado-Rives, Julian; Jorgensen, William L

2010-03-10

Quantum and molecular mechanics calculations for the Diels-Alder reactions of cyclopentadiene with 1,4-naphthoquinone, methyl vinyl ketone, and acrylonitrile have been carried out at the vacuum-water interface and in the gas phase. In conjunction with previous studies of these cycloadditions in dilute solution, a more complete picture of aqueous environmental effects emerges with implications for the origin of observed rate accelerations using heterogeneous aqueous suspensions, "on water" conditions. The pure TIP4P water slab maintains the bulk density and hydrogen-bonding properties in central water layers. The bulk region merges to vacuum over a ca. 5 A band with progressive diminution of the density and hydrogen bonding. The relative free energies of activation and transition structures for the reactions at the interface are found to be intermediate between those calculated in the gas phase and in bulk water; i.e., for the reaction with 1,4-naphthoquinone, the DeltaDeltaG(++) values relative to the gas phase are -3.6 and -7.3 kcal/mol at the interface and in bulk water, respectively. Thus, the results do not support the notion that a water surface is more effective than bulk water for catalysis of such pericyclic reactions. The trend is in qualitative agreement with expectations based on density considerations and estimates of experimental rate constants for the gas phase, a heterogeneous aqueous suspension, and a dilute aqueous solution for the reaction of cyclopentadiene with methyl vinyl ketone. Computed energy pair distributions reveal a uniform loss of 0.5-1.0 hydrogen bond for the reactants and transition states in progressing from bulk water to the vacuum-water interface. Orientational effects are apparent at the surface; e.g., the carbonyl group in the methyl vinyl ketone transition structure is preferentially oriented into the surface. Also, the transition structure for the 1,4-naphthoquinone case is buried more in the surface, and the free energy of activation for this reaction is most similar to the result in bulk water.

Study of the Relationships between the Spatial Extent of Surface Urban Heat Islands and Urban Characteristic Factors Based on Landsat ETM+ Data

PubMed Central

Zhang, Jinqu; Wang, Yunpeng

2008-01-01

Ten cities with different population and urban sizes located in the Pearl River Delta, Guangdong Province, P.R. China were selected to study the relationships between the spatial extent of surface urban heat islands (SUHI) and five urban characteristic factors such as urban size, development area, water proportion, mean NDVI (Normalized Vegetation Index) and population density, etc. The spatial extent of SUHI was quantified by using the hot island area (HIA). All the cities are almost at the same latitude, showing similar climate and solar radiation, the influence of which could thus be eliminated during our computation and comparative study. The land surface temperatures (LST) were retrieved from the data of Landsat 7 Enhanced Thematic Mapper Plus (ETM+) band 6 using a mono-window algorithm. A variance-segmenting method was proposed to compute HIA for each city from the retrieved LST. Factors like urban size, development area and water proportion were extracted directly from the classification images of the same ETM+ data and the population density factor is from the official census. Correlation and regression analyses were performed to study the relationships between the HIA and the related factors, and the results show that HIA is highly correlated to urban size (r=0.95), population density (r=0.97) and development area (r=0.83) in this area. It was also proved that a weak negative correlation existed between HIA and both mean NDVI and water proportion for each city. Linear functions between HIA and its related factors were established, respectively. The HIA can reflect the spatial extent and magnitude of the surface urban heat island effect, and can be used as reference in the urban planning. PMID:27873939

Simulation of ground-water flow and delineation of areas contributing recharge within the Mt. Simon-Hinckley Aquifer to well fields in the Prairie Island Indian Community, Minnesota

USGS Publications Warehouse

Ruhl, J.F.

2002-01-01

A steady state single layer, two-dimensional ground-water flow model constructed with the computer program MODFLOW,combined with the particle-tracking computer program MODPATH, was used to track water particles (upgradient) from the two well fields. A withdrawal rate of 625 m3/d was simulated for each well field. The ground-water flow paths delineated areas of contributing recharge that are 0.38 and 0.65 km2 based on 10- and 50-year travel times, respectively. The flow paths that define these areas extend for maximum distances of about 350 and 450 m, respectively, from the wells. At well field A the area of contributing recharge was delineated for each well as separate withdrawal points. At well field B the area of contributing recharge was delineated for the two wells as a single withdrawal point. Delineation of areas of contributing recharge to the well fields from land surface would require construction of a multi-layer ground-water flow model.

Surface roughness considerations for atmospheric correction of ocean color sensors. I - The Rayleigh-scattering component. II - Error in the retrieved water-leaving radiance

NASA Technical Reports Server (NTRS)

Gordon, Howard R.; Wang, Menghua

1992-01-01

The first step in the Coastal Zone Color Scanner (CZCS) atmospheric-correction algorithm is the computation of the Rayleigh-scattering (RS) contribution, L sub r, to the radiance leaving the top of the atmosphere over the ocean. In the present algorithm, L sub r is computed by assuming that the ocean surface is flat. Calculations of the radiance leaving an RS atmosphere overlying a rough Fresnel-reflecting ocean are presented to evaluate the radiance error caused by the flat-ocean assumption. Simulations are carried out to evaluate the error incurred when the CZCS-type algorithm is applied to a realistic ocean in which the surface is roughened by the wind. In situations where there is no direct sun glitter, it is concluded that the error induced by ignoring the Rayleigh-aerosol interaction is usually larger than that caused by ignoring the surface roughness. This suggests that, in refining algorithms for future sensors, more effort should be focused on dealing with the Rayleigh-aerosol interaction than on the roughness of the sea surface.

Implications of using broadband photometry for compositional remote sensing of icy objects. [including natural satellites and asteroids

NASA Technical Reports Server (NTRS)

Clark, R. N.

1982-01-01

The validity and limitations of assuming bright surfaces are icy and dark surfaces are stony are investigated, and the limitations of JHK colorimetry for distinguishing icy versus stony objects are studied. The broadband JHK reflectances of a large range of minerals and mineral assemblages were computed, the visual albedo obtained, and the J-H and H-K colors computed. Visual reflectance was found to vary easily from 0.15 to 1.0 when the surface contains 99 percent or more water by weight. The effect of varying particulate weight fraction and grain size are described. Visual albedo is found to give no indication of the purity of an icy surface. The JHK colors of an ice and particulate mixture can fall anywhere in the classical J-H versus H-K diagram, and thus the diagram cannot be used to distinguish a predominantly rock surface from a predominantly ice one in a specific case, except where both J-H and H-K colors are less than about -0.2.

On the Response of the Special Sensor Microwave/Imager to the Marine Environment: Implications for Atmospheric Parameter Retrievals. Ph.D. Thesis

NASA Technical Reports Server (NTRS)

Petty, Grant W.

1990-01-01

A reasonably rigorous basis for understanding and extracting the physical information content of Special Sensor Microwave/Imager (SSM/I) satellite images of the marine environment is provided. To this end, a comprehensive algebraic parameterization is developed for the response of the SSM/I to a set of nine atmospheric and ocean surface parameters. The brightness temperature model includes a closed-form approximation to microwave radiative transfer in a non-scattering atmosphere and fitted models for surface emission and scattering based on geometric optics calculations for the roughened sea surface. The combined model is empirically tuned using suitable sets of SSM/I data and coincident surface observations. The brightness temperature model is then used to examine the sensitivity of the SSM/I to realistic variations in the scene being observed and to evaluate the theoretical maximum precision of global SSM/I retrievals of integrated water vapor, integrated cloud liquid water, and surface wind speed. A general minimum-variance method for optimally retrieving geophysical parameters from multichannel brightness temperature measurements is outlined, and several global statistical constraints of the type required by this method are computed. Finally, a unified set of efficient statistical and semi-physical algorithms is presented for obtaining fields of surface wind speed, integrated water vapor, cloud liquid water, and precipitation from SSM/I brightness temperature data. Features include: a semi-physical method for retrieving integrated cloud liquid water at 15 km resolution and with rms errors as small as approximately 0.02 kg/sq m; a 3-channel statistical algorithm for integrated water vapor which was constructed so as to have improved linear response to water vapor and reduced sensitivity to precipitation; and two complementary indices of precipitation activity (based on 37 GHz attenuation and 85 GHz scattering, respectively), each of which are relatively insensitive to variations in other environmental parameters.

High pressure water jet cutting and stripping

NASA Technical Reports Server (NTRS)

Hoppe, David T.; Babai, Majid K.

1991-01-01

High pressure water cutting techniques have a wide range of applications to the American space effort. Hydroblasting techniques are commonly used during the refurbishment of the reusable solid rocket motors. The process can be controlled to strip a thermal protective ablator without incurring any damage to the painted surface underneath by using a variation of possible parameters. Hydroblasting is a technique which is easily automated. Automation removes personnel from the hostile environment of the high pressure water. Computer controlled robots can perform the same task in a fraction of the time that would be required by manual operation.

Geometrical and gravimetrical observations of the Aral Sea and its tributaries along with hydrological models

NASA Astrophysics Data System (ADS)

Singh, A.; Seitz, F.; Schwatke, C.; Güntner, A.

2012-04-01

Satellite altimetry is capable of measuring surface water level changes of large water bodies. This is especially interesting for regions where in-situ gauges are sparse or not available. Temporal variations of coastline and horizontal extent of a water body can be derived from optical remote sensing data. A joint analysis of both data types together with a digital elevation model allows for the estimation of water volume changes. Related variations of water mass map into the observations of the satellite gravity field mission GRACE. In this presentation, we demonstrate the application of heterogeneuous remote sensing methods for studying chages of water volume and mass of the Aral Sea and compare the results with respect to their consistency. Our analysis covers the period 2002-2011. In particular we deal with data from multi-mission radar and laser satellite altimetry that are analyzed in combination with coastlines from Landsat images. The resultant vertical and horizontal variations of the lake surface are geometrically intersected with the bathymetry of the Aral Sea in order to compute volumetric changes. These are transformed into variations of water mass that are subsequently compared with storage changes derived from GRACE satellite gravimetry. Hence we obtain a comprehensive picture of the hydrological changes in the region. Observations from all datasets correspond quite well with each other with respect to their temporal development. However, geometrically determined volume changes and mass changes observed by GRACE agree less well during years of heavy water inflow in to the Aral Sea from its southern tributary 'Amu Darya' since the GRACE signals are contaminated by the large mass of water stored in the river delta and prearalie region On the other hand, GRACE observations of the river basins of Syr Darya and Amu Dayra correspond very well with hydrological models and mass changes computed from the balance of precipitation, evaporation and runoff determined from the atmospheric-terrestrial water balance.

Computer program for simulation of variable recharge with the U. S. Geological Survey modular finite-difference ground-water flow model (MODFLOW)

USGS Publications Warehouse

Kontis, A.L.

2001-01-01

The Variable-Recharge Package is a computerized method designed for use with the U.S. Geological Survey three-dimensional finitedifference ground-water flow model (MODFLOW-88) to simulate areal recharge to an aquifer. It is suitable for simulations of aquifers in which the relation between ground-water levels and land surface can affect the amount and distribution of recharge. The method is based on the premise that recharge to an aquifer cannot occur where the water level is at or above land surface. Consequently, recharge will vary spatially in simulations in which the Variable- Recharge Package is applied, if the water levels are sufficiently high. The input data required by the program for each model cell that can potentially receive recharge includes the average land-surface elevation and a quantity termed ?water available for recharge,? which is equal to precipitation minus evapotranspiration. The Variable-Recharge Package also can be used to simulate recharge to a valley-fill aquifer in which the valley fill and the adjoining uplands are explicitly simulated. Valley-fill aquifers, which are the most common type of aquifer in the glaciated northeastern United States, receive much of their recharge from upland sources as channeled and(or) unchanneled surface runoff and as lateral ground-water flow. Surface runoff in the uplands is generated in the model when the applied water available for recharge is rejected because simulated water levels are at or above land surface. The surface runoff can be distributed to other parts of the model by (1) applying the amount of the surface runoff that flows to upland streams (channeled runoff) to explicitly simulated streams that flow onto the valley floor, and(or) (2) applying the amount that flows downslope toward the valley- fill aquifer (unchanneled runoff) to specified model cells, typically those near the valley wall. An example model of an idealized valley- fill aquifer is presented to demonstrate application of the method and the type of information that can be derived from its use. Documentation of the Variable-Recharge Package is provided in the appendixes and includes listings of model code and of program variables. Comment statements in the program listings provide a narrative of the code. Input-data instructions and printed model output for the package are included.

Oceanographic, Air-sea Interaction, and Environmental Aspects of Artificial Upwelling Produced by Wave-Inertia Pumps for Potential Hurricane Intensity Mitigation

NASA Astrophysics Data System (ADS)

Soloviev, A.; Dean, C.

2017-12-01

The artificial upwelling system consisting of the wave-inertia pumps driven by surface waves can produce flow of cold deep water to the surface. One of the recently proposed potential applications of the artificial upwelling system is the hurricane intensity mitigation. Even relatively small reduction of intensity may provide significant benefits. The ocean heat content (OHC) is the "fuel" for hurricanes. The OHC can be reduced by mixing of the surface layer with the cold water produced by wave-inertia pumps. Implementation of this system for hurricane mitigation has several oceanographic and air-sea interaction aspects. The cold water brought to the surface from a deeper layer has higher density than the surface water and, therefore, tends to sink back down. The mixing of the cold water produced by artificial upwelling depends on environmental conditions such as stratification, regional ocean circulation, and vertical shear. Another aspect is that as the sea surface temperature drops below the air temperature, the stable stratification develops in the atmospheric boundary layer. The stable atmospheric stratification suppresses sensible and latent heat air-sea fluxes and reduces the net longwave irradiance from the sea surface. As a result, the artificial upwelling may start increasing the OHC (though still reducing the sea surface temperature). In this work, the fate of the cold water in the stratified environment with vertical shear has been studied using computational fluid dynamics (CFD) tools. A 3D large eddy simulation model is initialized with observational temperature, salinity, and current velocity data from a sample location in the Straits of Florida. A periodic boundary condition is set along the direction of the current, which allows us to simulate infinite fetch. The model results indicate that the cold water brought to the sea surface by a wave-inertia pump forms a convective jet. This jet plunges into the upper ocean mixed layer and penetrates the thermocline. On the way down, the jet partially mixes with the surrounding water reducing the temperature of the upper ocean. The OHC thus can either reduce or increase, depending on the wave-inertia pump parameters. Based on the model results, we discuss feasibility of the implementation of the artificial upwelling system for hurricane intensity mitigation.

Computational studies of atmospherically-relevant chemical reactions in water clusters and on liquid water and ice surfaces.

PubMed

Gerber, R Benny; Varner, Mychel E; Hammerich, Audrey D; Riikonen, Sampsa; Murdachaew, Garold; Shemesh, Dorit; Finlayson-Pitts, Barbara J

2015-02-17

CONSPECTUS: Reactions on water and ice surfaces and in other aqueous media are ubiquitous in the atmosphere, but the microscopic mechanisms of most of these processes are as yet unknown. This Account examines recent progress in atomistic simulations of such reactions and the insights provided into mechanisms and interpretation of experiments. Illustrative examples are discussed. The main computational approaches employed are classical trajectory simulations using interaction potentials derived from quantum chemical methods. This comprises both ab initio molecular dynamics (AIMD) and semiempirical molecular dynamics (SEMD), the latter referring to semiempirical quantum chemical methods. Presented examples are as follows: (i) Reaction of the (NO(+))(NO3(-)) ion pair with a water cluster to produce the atmospherically important HONO and HNO3. The simulations show that a cluster with four water molecules describes the reaction. This provides a hydrogen-bonding network supporting the transition state. The reaction is triggered by thermal structural fluctuations, and ultrafast changes in atomic partial charges play a key role. This is an example where a reaction in a small cluster can provide a model for a corresponding bulk process. The results support the proposed mechanism for production of HONO by hydrolysis of NO2 (N2O4). (ii) The reactions of gaseous HCl with N2O4 and N2O5 on liquid water surfaces. Ionization of HCl at the water/air interface is followed by nucleophilic attack of Cl(-) on N2O4 or N2O5. Both reactions proceed by an SN2 mechanism. The products are ClNO and ClNO2, precursors of atmospheric atomic chlorine. Because this mechanism cannot result from a cluster too small for HCl ionization, an extended water film model was simulated. The results explain ClNO formation experiments. Predicted ClNO2 formation is less efficient. (iii) Ionization of acids at ice surfaces. No ionization is found on ideal crystalline surfaces, but the process is efficient on isolated defects where it involves formation of H3O(+)-acid anion contact ion pairs. This behavior is found in simulations of a model of the ice quasi-liquid layer corresponding to large defect concentrations in crystalline ice. The results are in accord with experiments. (iv) Ionization of acids on wet quartz. A monolayer of water on hydroxylated silica is ordered even at room temperature, but the surface lattice constant differs significantly from that of crystalline ice. The ionization processes of HCl and H2SO4 are of high yield and occur in a few picoseconds. The results are in accord with experimental spectroscopy. (v) Photochemical reactions on water and ice. These simulations require excited state quantum chemical methods. The electronic absorption spectrum of methyl hydroperoxide adsorbed on a large ice cluster is strongly blue-shifted relative to the isolated molecule. The measured and calculated adsorption band low-frequency tails are in agreement. A simple model of photodynamics assumes prompt electronic relaxation of the excited peroxide due to the ice surface. SEMD simulations support this, with the important finding that the photochemistry takes place mainly on the ground state. In conclusion, dynamics simulations using quantum chemical potentials are a useful tool in atmospheric chemistry of water media, capable of comparison with experiment.

D Animation Reconstruction from Multi-Camera Coordinates Transformation

NASA Astrophysics Data System (ADS)

Jhan, J. P.; Rau, J. Y.; Chou, C. M.

2016-06-01

Reservoir dredging issues are important to extend the life of reservoir. The most effective and cost reduction way is to construct a tunnel to desilt the bottom sediment. Conventional technique is to construct a cofferdam to separate the water, construct the intake of tunnel inside and remove the cofferdam afterwards. In Taiwan, the ZengWen reservoir dredging project will install an Elephant-trunk Steel Pipe (ETSP) in the water to connect the desilting tunnel without building the cofferdam. Since the installation is critical to the whole project, a 1:20 model was built to simulate the installation steps in a towing tank, i.e. launching, dragging, water injection, and sinking. To increase the construction safety, photogrammetry technic is adopted to record images during the simulation, compute its transformation parameters for dynamic analysis and reconstruct the 4D animations. In this study, several Australiscoded targets are fixed on the surface of ETSP for auto-recognition and measurement. The cameras orientations are computed by space resection where the 3D coordinates of coded targets are measured. Two approaches for motion parameters computation are proposed, i.e. performing 3D conformal transformation from the coordinates of cameras and relative orientation computation by the orientation of single camera. Experimental results show the 3D conformal transformation can achieve sub-mm simulation results, and relative orientation computation shows the flexibility for dynamic motion analysis which is easier and more efficiency.

Exploring the spatio-temporal interrelation between groundwater and surface water by using the self-organizing maps

NASA Astrophysics Data System (ADS)

Chen, I.-Ting; Chang, Li-Chiu; Chang, Fi-John

2018-01-01

In this study, we propose a soft-computing methodology to visibly explore the spatio-temporal groundwater variations of the Kuoping River basin in southern Taiwan. The self-organizing map (SOM) is implemented to investigate the interactive mechanism between surface water and groundwater over the river basin based on large high-dimensional data sets coupled with their occurrence times. We find that extracting the occurrence time from each 30-day moving average data set in the clustered neurons of the SOM is a crucial step to learn the spatio-temporal interaction between surface water and groundwater. We design 2-D Topological Bubble Map to summarize all the groundwater values of four aquifers in a neuron, which can visibly explore the major features of the groundwater in the vertical direction. The constructed SOM topological maps nicely display that: (1) the groundwater movement, in general, extends from the eastern area to the western, where groundwater in the eastern area can be easily recharged from precipitation in wet seasons and discharged into streams during dry seasons due to the high permeability in this area; (2) the water movements in the four aquifers of the study area are quite different, and the seasonal variations of groundwater in the second and third aquifers are larger than those of the others; and (3) the spatial distribution and seasonal variations of groundwater and surface water are comprehensively linked together over the constructed maps to present groundwater characteristics and the interrelation between groundwater and surface water. The proposed modeling methodology not only can classify the large complex high-dimensional data sets into visible topological maps to effectively facilitate the quantitative status of regional groundwater resources but can also provide useful elaboration for future groundwater management.

Hydrology of area 4, Eastern Coal Province, Pennsylvania, Ohio, and West Virginia

USGS Publications Warehouse

Roth, Donald K.; Engelke, Morris J.; ,

1981-01-01

Area 4 (one of the 24 hydrologic areas defining the Eastern Coal Province) is located at the northern end of the Eastern Coal Province in eastern Ohio, northern West Virginia, and western Pennsylvania. It is part of the upper Ohio River basin, which includes the Beaver, Mahoning, and Shenango Rivers. The area is underlain by rocks of the Pottsville, Allegheny, Conemaugh, Monongahela Groups (or Formations) and Dunkard Group. Area 4 has a temperate climate with an annual average rainfall of 38 to 42 inches, most of its area is covered by forest. The soils have a high erosion potential where the vegetation cover is removed. In response to Public Law 95-87, 132 sites were added to the existing surface-water data-collection network in area 4. At these added sites, collected data includes discharge, water quality, sediment, and biology. The data are available from computer storage through the National Water Data Exchange (NAWDEX) or the published annual Water Resources Data reports for Ohio, Pennsylvania, and West Virginia. Hydrologic problems related to mining are: (1) Erosion and increased sedimentation, and (2) degradation of water quality. Erosion and sedimentation are associated chiefly with surface mining. Sediment yields increase drastically when vegetation is removed from the highly erosive soils. Degradation of water quality can be caused by acid-mine drainage from underground and surface mining. More than half the acid-mine drainage effluent in area 4 comes from underground mines. The rest seeps from abandoned surface mines. Usually in reclaimed surface mines the overburden is replaced in such a short time after the coal is taken out that oxidation of acid-forming minerals, commonly pyrite or marcasite, is not complete or is neutralized by the buffering action of calcareous minerals in the soils. (USGS)

River analysis and floodplain modeling using HEC-GeoRAS/RAS, GIS and ArcGIS: a case study for the Salinas River

NASA Astrophysics Data System (ADS)

Mishra, P. K.; Bernini Campos, H. E.

2016-12-01

The lower portion of the Salinas River in Monterey bay, California has a history of flood, lots of study has been made ab out the water quality since the river provides water for the crops around, but is still in need a detailed study about the river behavior and flood analysis. The floods did significant damage, affecting valuable landing farms, residences and businesses in Monterey County. The first step for this study is comprehend and collect the river bathymetry and surroundings and then analyze the discharge and how it is going to change with time. This thesis develops a model about the specific site, recruiting real data from GIS and performing a flow simulation according to flow data provided by USGS, to verify water surface elevation and floodplain. The ArcMap, developed by ESRI, was used along with an extension (HEC-GeoRAS) because it was indeed the most appropriate model to work with the Digital Elevation Model, develop the floodplain and characterizing the land surface accurately in the study site. The HEC-RAS software, developed by US Army Corp of Engineers, was used to compute one-dimension steady flow and two-dimension unsteady flow, providing flow velocity, water surface elevation and profiles, total surface area, head and friction loss and other characteristics, allowing the analysis of the flow. A mean discharge, a mean peak streamflow and a peak discharge were used for the steady flow and a Hydrograph was used for the unsteady flow, both are based on the 1995 flood and discharge history. This study provides important information about water surface elevation and water flow, allowing stakeholders and the government to analyze solutions to avoid damage to the society and landowners.

Does deposition freezing really exist? At least different as we thought

NASA Astrophysics Data System (ADS)

Abdelmonem, Ahmed

2017-04-01

The structural and chemical properties of the surface of an IN-particle (INP) play a major role in its IN ability. This role is not well explored in terms of water/INP-surface molecular-level interactions. Recent MD simulations on deposition freezing showed that water first deposits as liquid clusters and then crystallize isothermally from there [1]. We probe freezing of water on INPs of different structural and chemical properties under varying supersaturation conditions using non-linear optical spectroscopy, mainly second harmonic generation (SHG) and sum frequency generation (SFG) [2, 3]. This presentation will show very recent preliminary experimental results comparing deposition, condensation and immersion freezing (DF, CF and IF respectively) on an atmospheric relevant metal oxide surface (mica) using supercooled SHG measurements. It is found that the signal drops upon the formation of a thin film regardless of 1) the freezing path (DF or CF), 2) the formed phase (ice or liquid), indicating a similar molecular structuring. The observed structuring similarity between DF, CF and LC films is a kick-off experimental confirmation of those computational results. References 1. Lupi, L., N. Kastelowitz, and V. Molinero, Vapor deposition of water on graphitic surfaces: Formation of amorphous ice, bilayer ice, ice I, and liquid water. The Journal of Chemical Physics, 2014. 141(18): p. 18C508. 2. Abdelmonem, A., J. Lützenkirchen, and T. Leisner, Probing ice-nucleation processes on the molecular level using second harmonic generation spectroscopy. Atmospheric Measurement Techniques, 2015. 8(8): p. 3519-3526. 3. Abdelmonem, A., et al., Surface charge-induced orientation of interfacial water suppresses heterogeneous ice nucleation on α-alumina (0001). Angewandte Chemie (Submitted), 2017.

Simulation model of a single-stage lithium bromide-water absorption cooling unit

NASA Technical Reports Server (NTRS)

Miao, D.

1978-01-01

A computer model of a LiBr-H2O single-stage absorption machine was developed. The model, utilizing a given set of design data such as water-flow rates and inlet or outlet temperatures of these flow rates but without knowing the interior characteristics of the machine (heat transfer rates and surface areas), can be used to predict or simulate off-design performance. Results from 130 off-design cases for a given commercial machine agree with the published data within 2 percent.

Full Coupling Between the Atmosphere, Surface, and Subsurface for Integrated Hydrologic Simulation

NASA Astrophysics Data System (ADS)

Davison, Jason Hamilton; Hwang, Hyoun-Tae; Sudicky, Edward A.; Mallia, Derek V.; Lin, John C.

2018-01-01

An ever increasing community of earth system modelers is incorporating new physical processes into numerical models. This trend is facilitated by advancements in computational resources, improvements in simulation skill, and the desire to build numerical simulators that represent the water cycle with greater fidelity. In this quest to develop a state-of-the-art water cycle model, we coupled HydroGeoSphere (HGS), a 3-D control-volume finite element surface and variably saturated subsurface flow model that includes evapotranspiration processes, to the Weather Research and Forecasting (WRF) Model, a 3-D finite difference nonhydrostatic mesoscale atmospheric model. The two-way coupled model, referred to as HGS-WRF, exchanges the actual evapotranspiration fluxes and soil saturations calculated by HGS to WRF; conversely, the potential evapotranspiration and precipitation fluxes from WRF are passed to HGS. The flexible HGS-WRF coupling method allows for unique meshes used by each model, while maintaining mass and energy conservation between the domains. Furthermore, the HGS-WRF coupling implements a subtime stepping algorithm to minimize computational expense. As a demonstration of HGS-WRF's capabilities, we applied it to the California Basin and found a strong connection between the depth to the groundwater table and the latent heat fluxes across the land surface.

Signatures of Air-Wave Interactions Over a Large Lake

NASA Astrophysics Data System (ADS)

Li, Qi; Bou-Zeid, Elie; Vercauteren, Nikki; Parlange, Marc

2018-06-01

The air-water exchange of momentum and scalars (temperature and water vapour) is investigated using the Lake-Atmosphere Turbulent EXchange (LATEX) dataset. The wind waves and swell are found to affect the coupling between the water surface and the air differently. The surface-stress vector aligns with the wind velocity in the presence of wind waves, but a wide range of stress-wind misalignment angles is observed during swell. The momentum transport efficiency decreases when significant stress-wind misalignment is present, suggesting a strong influence of surface wave properties on surface drag. Based on this improved understanding of the role of wave-wind misalignment, a new relative wind speed for surface-layer similarity formulations is proposed and tested using the data. The new expression yields a value of the von Kármán constant (κ ) of 0.38, compared to 0.36 when using the absolute wind speed, as well as reduced data fitting errors. Finally, the ratios of aerodynamic to scalar roughness lengths are computed and various existing models in the literature are tested using least-square fitting to the observed ratios. The tests are able to discriminate between the performance of various models; however, they also indicate that more investigations are required to understand the physics of scalar exchanges over waves.

Relationship Between Sea Surface Salinity from L-Band Radiometer and Optical Features in the East China Sea

DTIC Science & Technology

2014-01-01

7330-14-2132. REFERENCE [1] Guo, Z., Lin, T., Zhang, G., et al., "The sedimentary fluxes of polycyclic aromatic hydrocarbons in the Yangtze ...Total Light Absorption in Optically Complex Waters, a Case Study in Yangtze Estuary and Adjacent Coast," Advances in Computational Environment

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

Mishra, P.; Purdue University, West Lafayette, Indiana 47907; Verma, K.

Borazine is isoelectronic with benzene and is popularly referred to as inorganic benzene. The study of non-covalent interactions with borazine and comparison with its organic counterpart promises to show interesting similarities and differences. The motivation of the present study of the borazine-water interaction, for the first time, stems from such interesting possibilities. Hydrogen-bonded complexes of borazine and water were studied using matrix isolation infrared spectroscopy and quantum chemical calculations. Computations were performed at M06-2X and MP2 levels of theory using 6-311++G(d,p) and aug-cc-pVDZ basis sets. At both the levels of theory, the complex involving an N–H⋯O interaction, where the N–Hmore » of borazine serves as the proton donor to the oxygen of water was found to be the global minimum, in contrast to the benzene-water system, which showed an H–π interaction. The experimentally observed infrared spectra of the complexes corroborated well with our computations for the complex corresponding to the global minimum. In addition to the global minimum, our computations also located two local minima on the borazine-water potential energy surface. Of the two local minima, one corresponded to a structure where the water was the proton donor to the nitrogen of borazine, approaching the borazine ring from above the plane of the ring; a structure that resembled the global minimum in the benzene-water H–π complex. The second local minimum corresponded to an interaction of the oxygen of water with the boron of borazine, which can be termed as the boron bond. Clearly the borazine-water system presents a richer landscape than the benzene-water system.« less

Enhancing Groundwater Cost Estimation with the Interpolation of Water Tables across the United States

NASA Astrophysics Data System (ADS)

Rosli, A. U. M.; Lall, U.; Josset, L.; Rising, J. A.; Russo, T. A.; Eisenhart, T.

2017-12-01

Analyzing the trends in water use and supply across the United States is fundamental to efforts in ensuring water sustainability. As part of this, estimating the costs of producing or obtaining water (water extraction) and the correlation with water use is an important aspect in understanding the underlying trends. This study estimates groundwater costs by interpolating the depth to water level across the US in each county. We use Ordinary and Universal Kriging, accounting for the differences between aquifers. Kriging generates a best linear unbiased estimate at each location and has been widely used to map ground-water surfaces (Alley, 1993).The spatial covariates included in the universal Kriging were land-surface elevation as well as aquifer information. The average water table is computed for each county using block kriging to obtain a national map of groundwater cost, which we compare with survey estimates of depth to the water table performed by the USDA. Groundwater extraction costs were then assumed to be proportional to water table depth. Beyond estimating the water cost, the approach can provide an indication of groundwater-stress by exploring the historical evolution of depth to the water table using time series information between 1960 and 2015. Despite data limitations, we hope to enable a more compelling and meaningful national-level analysis through the quantification of cost and stress for more economically efficient water management.

Development and application of a catchment scale pesticide fate and transport model for use in drinking water risk assessment.

PubMed

Pullan, S P; Whelan, M J; Rettino, J; Filby, K; Eyre, S; Holman, I P

2016-09-01

This paper describes the development and application of IMPT (Integrated Model for Pesticide Transport), a parameter-efficient tool for predicting diffuse-source pesticide concentrations in surface waters used for drinking water supply. The model was applied to a small UK headwater catchment with high frequency (8h) pesticide monitoring data and to five larger catchments (479-1653km(2)) with sampling approximately every 14days. Model performance was good for predictions of both flow (Nash Sutcliffe Efficiency generally >0.59 and PBIAS <10%) and pesticide concentrations, although low sampling frequency in the larger catchments is likely to mask the true episodic nature of exposure. The computational efficiency of the model, along with the fact that most of its parameters can be derived from existing national soil property data mean that it can be used to rapidly predict pesticide exposure in multiple surface water resources to support operational and strategic risk assessments. Copyright © 2016 The Authors. Published by Elsevier B.V. All rights reserved.

ExoMol molecular line lists XIX: high-accuracy computed hot line lists for H218O and H217O

NASA Astrophysics Data System (ADS)

Polyansky, Oleg L.; Kyuberis, Aleksandra A.; Lodi, Lorenzo; Tennyson, Jonathan; Yurchenko, Sergei N.; Ovsyannikov, Roman I.; Zobov, Nikolai F.

2017-04-01

Hot line lists for two isotopologues of water, H218O and H217O, are presented. The calculations employ newly constructed potential energy surfaces (PES), which take advantage of a novel method for using the large set of experimental energy levels for H216O to give high-quality predictions for H218O and H217O. This procedure greatly extends the energy range for which a PES can be accurately determined, allowing an accurate prediction of higher lying energy levels than are currently known from direct laboratory measurements. This PES is combined with a high-accuracy, ab initio dipole moment surface of water in the computation of all energy levels, transition frequencies and associated Einstein A coefficients for states with rotational excitation up to J = 50 and energies up to 30 000 cm-1. The resulting HotWat78 line lists complement the well-used BT2 H216O line list. Full line lists are made available online as Supporting Information and at www.exomol.com.

Evidence about hydrate and solid water in the Martian surface from the 1969 Mariner infrared spectrometer

NASA Technical Reports Server (NTRS)

Pimentel, G. C.; Forney, P. B.; Herr, K. C.

1974-01-01

Results of laboratory simulation studies and comparative computer analyses of infrared spectral data regarding the presence, distribution, and form of condensed-phase water in the Martian surface. The data were obtained with the aid of the Mariner 6 and 7 spacecraft which were equipped with infrared spectrometers recording the infrared spectrum from 1.9 to 14.4 microns. From the analysis of these data evidence is obtained which signifies some sort of compositional and/or particle size variability of the extent and nature of hydration. Changes are noted which could be due to ice thinly covering a small fraction of the planetary surface in particularly cold spots, possibly on partially shaded slopes. At southerly latitudes, the fraction so covered seems to increase as the polar cap edge is approached. It is therefore concluded that there is strong evidence of ice formation on the planetary surface at the edge of the polar cap.

ADHydro: A Large-scale High Resolution Multi-Physics Distributed Water Resources Model for Water Resource Simulations in a Parallel Computing Environment

NASA Astrophysics Data System (ADS)

lai, W.; Steinke, R. C.; Ogden, F. L.

2013-12-01

Physics-based watershed models are useful tools for hydrologic studies, water resources management and economic analyses in the contexts of climate, land-use, and water-use changes. This poster presents development of a physics-based, high-resolution, distributed water resources model suitable for simulating large watersheds in a massively parallel computing environment. Developing this model is one of the objectives of the NSF EPSCoR RII Track II CI-WATER project, which is joint between Wyoming and Utah. The model, which we call ADHydro, is aimed at simulating important processes in the Rocky Mountain west, includes: rainfall and infiltration, snowfall and snowmelt in complex terrain, vegetation and evapotranspiration, soil heat flux and freezing, overland flow, channel flow, groundwater flow and water management. The ADHydro model uses the explicit finite volume method to solve PDEs for 2D overland flow, 2D saturated groundwater flow coupled to 1D channel flow. The model has a quasi-3D formulation that couples 2D overland flow and 2D saturated groundwater flow using the 1D Talbot-Ogden finite water-content infiltration and redistribution model. This eliminates difficulties in solving the highly nonlinear 3D Richards equation, while the finite volume Talbot-Ogden infiltration solution is computationally efficient, guaranteed to conserve mass, and allows simulation of the effect of near-surface groundwater tables on runoff generation. The process-level components of the model are being individually tested and validated. The model as a whole will be tested on the Green River basin in Wyoming and ultimately applied to the entire Upper Colorado River basin. ADHydro development has necessitated development of tools for large-scale watershed modeling, including open-source workflow steps to extract hydromorphological information from GIS data, integrate hydrometeorological and water management forcing input, and post-processing and visualization of large output data sets. The ADHydro model will be coupled with relevant components of the NOAH-MP land surface scheme and the WRF mesoscale meteorological model. Model objectives include well documented Application Programming Interfaces (APIs) to facilitate modifications and additions by others. We will release the model as open-source in 2014 and begin establishing a users' community.

GPS Multipath Fade Measurements to Determine L-Band Ground Reflectivity Properties

NASA Technical Reports Server (NTRS)

Kavak, Adnan; Xu, Guanghan; Vogel, W. J.

1996-01-01

In personal satellite communications, especially when the line-of-sight is clear, ground specular reflected signals along with direct signals are received by low gain, almost omni-directional subscriber antennas. A six-channel, C/A code processing, global positioning system (GPS) receiver with an almost omni-directional patch antenna was used to take measurements over three types of ground to characterize 1.575 GHz specular ground reflections and ground dielectric properties. Fade measurements were taken over grass, asphalt, and lake water surfaces by placing the antenna in a vertical position at a fixed height from the ground. Electrical characteristics (conductivity and dielectric constant) of these surfaces (grass, asphalt, lake water) were obtained by matching computer simulations to the experimental results.

GPS Multipath Fade Measurements to Determine L-Band Ground Reflectivity Properties

NASA Technical Reports Server (NTRS)

Kavak, Adnan; Xu, Guang-Han; Vogel, Wolfhard J.

1996-01-01

In personal satellite communications, especially when the line-of-sight is clear, ground specular reflected signals along with direct signals are received by low gain, almost omni-directional subscriber antennas. A six-channel, C/A code processing, GPS receiver with an almost omni-directional patch antenna was used to take measurements over three types of ground to characterize 1.575 GHz specular ground reflections and ground dielectric properties. Fade measurements were taken over grass, asphalt, and lake water surfaces by placing the antenna in a vertical position at a fixed height from the ground. Electrical characteristics (conductivity and dielectric constant) of these surfaces (grass, asphalt, lake water) were obtained by matching computer simulations to the experimental results.

An atomic charge model for graphene oxide for exploring its bioadhesive properties in explicit water.

PubMed

Stauffer, D; Dragneva, N; Floriano, W B; Mawhinney, R C; Fanchini, G; French, S; Rubel, O

2014-07-28

Graphene Oxide (GO) has been shown to exhibit properties that are useful in applications such as biomedical imaging, biological sensors, and drug delivery. The binding properties of biomolecules at the surface of GO can provide insight into the potential biocompatibility of GO. Here we assess the intrinsic affinity of amino acids to GO by simulating their adsorption onto a GO surface. The simulation is done using Amber03 force-field molecular dynamics in explicit water. The emphasis is placed on developing an atomic charge model for GO. The adsorption energies are computed using atomic charges obtained from an ab initio electrostatic potential based method. The charges reported here are suitable for simulating peptide adsorption to GO.

Velocity profile, water-surface slope, and bed-material size for selected streams in Colorado

USGS Publications Warehouse

Marchand, J.P.; Jarrett, R.D.; Jones, L.L.

1984-01-01

Existing methods for determining the mean velocity in a vertical sampling section do not address the conditions present in high-gradient, shallow-depth streams common to mountainous regions such as Colorado. The report presents velocity-profile data that were collected for 11 streamflow-gaging stations in Colorado using both a standard Price type AA current meter and a prototype Price Model PAA current meter. Computational results are compiled that will enable mean velocities calculated from measurements by the two current meters to be compared with each other and with existing methods for determining mean velocity. Water-surface slope, bed-material size, and flow-characteristic data for the 11 sites studied also are presented. (USGS)

Estimation of reservoir storage capacity using multibeam sonar and terrestrial lidar, Randy Poynter Lake, Rockdale County, Georgia, 2012

USGS Publications Warehouse

Lee, K.G.

2013-01-01

The U.S. Geological Survey, in cooperation with the Rockdale County Department of Water Resources, conducted a bathymetric and topographic survey of Randy Poynter Lake in northern Georgia in 2012. The Randy Poynter Lake watershed drains surface area from Rockdale, Gwinnett, and Walton Counties. The reservoir serves as the water supply for the Conyers-Rockdale Big Haynes Impoundment Authority. The Randy Poynter reservoir was surveyed to prepare a current bathymetric map and determine storage capacities at specified water-surface elevations. Topographic and bathymetric data were collected using a marine-based mobile mapping unit to estimate storage capacity. The marine-based mobile mapping unit operates with several components: multibeam echosounder, singlebeam echosounder, light detection and ranging system, navigation and motion-sensing system, and data acquisition computer. All data were processed and combined to develop a triangulated irregular network, a reservoir capacity table, and a bathymetric contour map.

Cloud Properties Derived from Surface-Based Near-Infrared Spectral Transmission

NASA Technical Reports Server (NTRS)

Pilewskie, Peter; Twomey, S.; Gore, Warren J. Y. (Technical Monitor)

1996-01-01

Surface based near-infrared cloud spectral transmission measurements from a recent precipitation/cloud physics field study are used to determine cloud physical properties and relate them to other remote sensing and in situ measurements. Asymptotic formulae provide an effective means of closely approximating the qualitative and quantitative behavior of transmission computed by more laborious detailed methods. Relationships derived from asymptotic formulae are applied to measured transmission spectra to test objectively the internal consistency of data sets acquired during the field program and they confirmed the quality of the measurements. These relationships appear to be very useful in themselves, not merely as a quality control measure, but also a potentially valuable remote-sensing technique in its own right. Additional benefits from this analysis have been the separation of condensed water (cloud) transmission and water vapor transmission and the development of a method to derive cloud liquid water content.

Importance of hydrophobic traps for proton diffusion in lyotropic liquid crystals

DOE PAGES

McDaniel, Jesse G.; Yethiraj, Arun

2016-03-04

The diffusion of protons in self-assembled systems is potentially important for the design of efficient proton exchange membranes. In this work, we study proton dynamics in a low-water content, lamellar phase of an sodium-carboxylate gemini surfactant/water system using computer simulations. The hopping of protons via the Grotthuss mechanism is explicity allowed through the multi-state empirical valence bond (MS-EVB) method. We find that the hydronium ion is trapped on the hydrophobic side of the surfactant-water interface, and proton diffusion then proceeds by hopping between surface sites. The importance of hydrophobic traps is surprising, because one would expect the hydronium ions tomore » be trapped at the charged head-groups. Finally, the physics illustrated in this system should be relevant to the proton dynamics in other amphiphilic membrane systems, whenever there exists exposed hydrophobic surface regions.« less

Unsteady viscous effects in the flow over an oscillating surface. [mathematical model

NASA Technical Reports Server (NTRS)

Lerner, J. I.

1972-01-01

A theoretical model for the interaction of a turbulent boundary layer with an oscillating wavy surface over which a fluid is flowing is developed, with an application to wind-driven water waves and to panel flutter in low supersonic flow. A systematic methodology is developed to obtain the surface pressure distribution by considering separately the effects on the perturbed flow of a mean shear velocity profile, viscous stresses, the turbulent Reynolds stresses, compressibility, and three-dimensionality. The inviscid theory is applied to the wind-water wave problem by specializing to traveling-wave disturbances, and the pressure magnitude and phase shift as a function of the wave phase speed are computed for a logarithmic mean velocity profile and compared with inviscid theory and experiment. The results agree with experimental evidence for the stabilization of the panel motion due to the influence of the unsteady boundary layer.

Assessing variability of evapotranspiration over the Ganga river basin using water balance computations

NASA Astrophysics Data System (ADS)

Syed, Tajdarul H.; Webster, Peter J.; Famiglietti, James S.

2014-03-01

A thorough assessment of evapotranspiration (ET) pervades several important issues of the 21st century including climate change, food-security, land-management, flood and drought prediction, and water resources assessment and management. Such a proper assessment is of particular importance in the Ganga river basin (GRB) with its backdrop of a rapidly increasing population pressure and unregulated use of water resources. Spatially averaged ET over the GRB is computed as the residual of atmospheric and terrestrial water budget computations using a combination of model simulations and satellite and ground-based observations. The best estimate of monthly ET is obtained as the monthly mean of atmospheric and terrestrial water balance computations for the period 1980-2007. The mean monthly average of ET from these various estimates is 72.3 ± 18.8 mm month-1. Monthly variations of ET peak between July and August and reach a minimum in February. For the entire study period, the rate of change of ET across the GRB is -11 mm yr-2 (i.e., mm/yr/yr). Alongside a notable influence of the 1997-1998 El Niño, results allude to the existence of interim periods during which ET trends varied significantly. More specifically, during the period of 1998-2002, the rate of decline increased to -55.8 mm yr-2, which is almost 5 times the overall trend. Based on the correlation between ET and independent estimates of near-surface temperature and soil moisture, we can infer that the ET over the GRB is primarily limited by moisture availability. The analysis has important potential for use in large-scale water budget assessments and intercomparison studies. The analysis also emphasizes the importance of synergistic use of mutliplatform hydrologic information.

Numerical simulation of cavitation flow characteristic on Pelton turbine bucket surface

NASA Astrophysics Data System (ADS)

Zeng, C. J.; Xiao, Y. X.; Zhu, W.; Yao, Y. Y.; Wang, Z. W.

2015-01-01

The internal flow in the rotating bucket of Pelton turbine is free water sheet flow with moving boundary. The runner operates under atmospheric and the cavitation in the bucket is still a controversial problem. While more and more field practice proved that there exists cavitation in the Pelton turbine bucket and the cavitation erosion may occur at the worst which will damage the bucket. So a well prediction about the cavitation flow on the bucket surface of Pelton turbine and the followed cavitation erosion characteristic can effectively guide the optimization of Pelton runner bucket and the stable operation of unit. This paper will investigate the appropriate numerical model and method for the unsteady 3D water-air-vapour multiphase cavitation flow which may occur on the Pelton bucket surface. The computational domain will include the nozzle pipe flow, semi-free surface jet and runner domain. Via comparing the numerical results of different turbulence, cavity and multiphase models, this paper will determine the suitable numerical model and method for the simulation of cavitation on the Pelton bucket surface. In order to investigate the conditions corresponding to the cavitation phenomena on the bucket surface, this paper will adopt the suitable model to simulate the various operational conditions of different water head and needle travel. Then, the characteristics of cavitation flow the development process of cavitation will be analysed in in great detail.

CO2 hydrate nucleation kinetics enhanced by an organo-mineral complex formed at the montmorillonite-water interface.

PubMed

Kyung, Daeseung; Lim, Hyung-Kyu; Kim, Hyungjun; Lee, Woojin

2015-01-20

In this study, we investigated experimentally and computationally the effect of organo-mineral complexes on the nucleation kinetics of CO2 hydrate. These complexes formed via adsorption of zwitter-ionic glycine (Gly-zw) onto the surface of sodium montmorillonite (Na-MMT). The electrostatic attraction between the −NH3(+) group of Gly-zw, and the negatively charged Na-MMT surface, provides the thermodynamic driving force for the organo-mineral complexation. We suggest that the complexation of Gly-zw on the Na-MMT surface accelerates CO2 hydrate nucleation kinetics by increasing the mineral–water interfacial area (thus increasing the number of effective hydrate-nucleation sites), and also by suppressing the thermal fluctuation of solvated Na(+) (a well-known hydrate formation inhibitor) in the vicinity of the mineral surface by coordinating with the −COO(–) groups of Gly-zw. We further confirmed that the local density of hydrate-forming molecules (i.e., reactants of CO2 and water) at the mineral surface (regardless of the presence of Gly-zw) becomes greater than that of bulk phase. This is expected to promote the hydrate nucleation kinetics at the surface. Our study sheds new light on CO2 hydrate nucleation kinetics in heterogeneous marine environments, and could provide knowledge fundamental to successful CO2 sequestration under seabed sediments.

Molecular Dynamics Simulation of WSK-3, a Computationally Designed, Water-Soluble Variant of the Integral Membrane Protein KcsA

PubMed Central

Bronson, Jonathan; Lee, One-Sun; Saven, Jeffery G.

2006-01-01

Poor solubility and low expression levels often make membrane proteins difficult to study. An alternative to the use of detergents to solubilize these aggregation-prone proteins is the partial redesign of the sequence so as to confer water solubility. Recently, computationally assisted membrane protein solubilization (CAMPS) has been reported, where exposed hydrophobic residues on a protein's surface are computationally redesigned. Herein, the structure and fluctuations of a designed, water-soluble variant of KcsA (WSK-3) were studied using molecular dynamics simulations. The root mean square deviation of the protein from its starting structure, where the backbone coordinates are those of KcsA, was 1.8 Å. The structure of salt bridges involved in structural specificity and solubility were examined. The preferred configuration of ions and water in the selectivity filter of WSK-3 was consistent with the reported preferences for KcsA. The structure of the selectivity filter was maintained, which is consistent with WSK-3 having an affinity for agitoxin2 comparable to that of wild-type KcsA. In contrast to KcsA, the central cavity's side chains were observed to reorient, allowing water diffusion through the side of the cavity wall. These simulations provide an atomistic analysis of the CAMPS strategy and its implications for further investigations of membrane proteins. PMID:16299086

Evolving the Land Information System into a Cloud Computing Service

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

Houser, Paul R.

The Land Information System (LIS) was developed to use advanced flexible land surface modeling and data assimilation frameworks to integrate extremely large satellite- and ground-based observations with advanced land surface models to produce continuous high-resolution fields of land surface states and fluxes. The resulting fields are extremely useful for drought and flood assessment, agricultural planning, disaster management, weather and climate forecasting, water resources assessment, and the like. We envisioned transforming the LIS modeling system into a scientific cloud computing-aware web and data service that would allow clients to easily setup and configure for use in addressing large water management issues.more » The focus of this Phase 1 project was to determine the scientific, technical, commercial merit and feasibility of the proposed LIS-cloud innovations that are currently barriers to broad LIS applicability. We (a) quantified the barriers to broad LIS utility and commercialization (high performance computing, big data, user interface, and licensing issues); (b) designed the proposed LIS-cloud web service, model-data interface, database services, and user interfaces; (c) constructed a prototype LIS user interface including abstractions for simulation control, visualization, and data interaction, (d) used the prototype to conduct a market analysis and survey to determine potential market size and competition, (e) identified LIS software licensing and copyright limitations and developed solutions, and (f) developed a business plan for development and marketing of the LIS-cloud innovation. While some significant feasibility issues were found in the LIS licensing, overall a high degree of LIS-cloud technical feasibility was found.« less

Towards a more efficient and robust representation of subsurface hydrological processes in Earth System Models

NASA Astrophysics Data System (ADS)

Rosolem, R.; Rahman, M.; Kollet, S. J.; Wagener, T.

2017-12-01

Understanding the impacts of land cover and climate changes on terrestrial hydrometeorology is important across a range of spatial and temporal scales. Earth System Models (ESMs) provide a robust platform for evaluating these impacts. However, current ESMs lack the representation of key hydrological processes (e.g., preferential water flow, and direct interactions with aquifers) in general. The typical "free drainage" conceptualization of land models can misrepresent the magnitude of those interactions, consequently affecting the exchange of energy and water at the surface as well as estimates of groundwater recharge. Recent studies show the benefits of explicitly simulating the interactions between subsurface and surface processes in similar models. However, such parameterizations are often computationally demanding resulting in limited application for large/global-scale studies. Here, we take a different approach in developing a novel parameterization for groundwater dynamics. Instead of directly adding another complex process to an established land model, we examine a set of comprehensive experimental scenarios using a very robust and establish three-dimensional hydrological model to develop a simpler parameterization that represents the aquifer to land surface interactions. The main goal of our developed parameterization is to simultaneously maximize the computational gain (i.e., "efficiency") while minimizing simulation errors in comparison to the full 3D model (i.e., "robustness") to allow for easy implementation in ESMs globally. Our study focuses primarily on understanding both the dynamics for groundwater recharge and discharge, respectively. Preliminary results show that our proposed approach significantly reduced the computational demand while model deviations from the full 3D model are considered to be small for these processes.

Landsat based historical (1984-2014) crop water use estimates and trends in the Southwestern United States

NASA Astrophysics Data System (ADS)

Senay, G. B.; Schauer, M.; Friedrichs, M.; Velpuri, N. M.; Singh, R. K.

2016-12-01

Remote sensing-based field scale evapotranspiration (ET) maps are useful for characterizing water use patterns and assessing crop performance. Historical (1984-2014) Landsat-based ET maps were generated for major irrigation districts in the southwestern US. A total of 3,396 Landsat images were processed using the Operational Simplified Surface Energy balance (SSEBop) model that integrates weather and remotely sensed images to estimate monthly and annual ET within the study areas over the 31 years. Model output evaluation and validation using point-based eddy covariance flux tower, gridded-flux data and water balance ET approaches indicated relatively strong association between SSEBop ET and validation datasets. Historical trend analysis of seven agro-hydrologic variables using the Seasonal Mann-Kendall test showed interesting results. In a pair wise comparison, management influenced variables such as actual evapotranspiration (ETa), land surface temperature (Ts) and runoff (Q) were found to be more variable than their corresponding climate counterparts of atmospheric water demand (ETo), air temperature (Ta) and precipitation, responding to the impacts of management decisions. Our results indicated that only air temperature showed a consistent increase (up to 1.2 K) across all 9 irrigation sub-basins during the 31 years. District-wide ETa estimates were used to compute historical crop water use volumes and monetary savings for the Palo Verde Irrigation district (PVID). During the peak crop fallowing program in PVID, the water savings reached a maximum of 85,000 ac-ft per year which is equivalent to a dollar amount of $ 600 million. This study has many applications in planning water resource allocation, monitoring and assessing water usage and performance, and quantifying impacts of climate and land use/land cover changes on water resources. With increased computational efficiency and model development, similar studies can be conducted in other parts of the world.

Continuous optical monitoring of a near-shore sea-water column

NASA Astrophysics Data System (ADS)

Bensky, T. J.; Neff, B.

2006-12-01

Cal Poly San Luis Obispo runs the Central Coast Marine Sciences Center, south-facing, 1-km-long pier in San Luis Bay, on the west coast of California, midway between Los Angeles and San Fransisco. The facility is secure and dedicated to marine science research. We have constructed an automated optical profiling system that collects sunlight samples, in half-foot increments, from a 30 foot vertical column of sea-water below the pier. Our implementation lowers a high quality, optically pure fiber cable into the water at 30 minute intervals. Light collected by the submersed fiber aperture is routed to the pier surface where it is spectrally analyzed using an Ocean Optics HR2000 spectrometer. The spectrometer instantly yields the spectrum of the light collected at a given depth. The "spectrum" here is light intensity as a function of wavelength between 200 and 1100 nm in increments of 0.1 nm. Each dive of the instrument takes approximately 80 seconds, lowers the fiber from the surface to a depth of 30 feet, and yields approximately 60 spectra, each one taken at a such successively larger depth. A computer logs each spectra as a function of depth. From such data, we are able to extract total downward photon flux, quantify ocean color, and compute attenuation coefficients. The system is entirely autonomous, includes an integrated data-browser, and can be checked-on, or even controlled over the Internet, using a web-browser. Linux runs the computer, data is logged directly to a mySQL database for easy extraction, and a PHP-script ties the system together. Current work involves studying light-energy deposition trends and effects of surface action on downward photon flux. This work has been funded by the Office of Naval Research (ONR) and the California Central Coast Research Park Initiative (C3RP).

Water resources data for New Mexico, water year 1968; Part 1. Surface water records

USGS Publications Warehouse

,

1969-01-01

The surface-water records for the 1968 water year for gaging stations, partial record stations, and miscellaneous sites within the State of New Mexico are given in this report. For convenience there are also included records for a few pertinent gaging stations in bordering States. The records were collected and computed by the Water Resources Division of the U. S. Geological Survey, under the direction of W. E. Hale, District Chief, Water Resources Division. This report is the eighth in a series presenting, annually, basic data on surfacewater records by States. Through September 30, 1960, "the records of discharge and stage of streams and contents and stage of lakes or reservoirs were published in an annual series of U. S. Geological Survey water-supply papers entitled "Surface Water Supply of the United States.!! Since 1951 there have been 20 volumes in the series; each volume covered an area whose boundaries coincided with those of certain natural drainage areas. The records in New Mexico were contained in Parts 7, 8, and 9 of that series. Beginning with the 1961 water year, streamflow records and related data have been released by the Geological Survey in annual reports on a State-boundary basis. Distribution of these basic-data reports is limited and primarily for local needs. The records will be published in Geological Survey water-supply papers at 5-year intervals. These 5-year water-supply papers will show daily discharge and will be compiled on the same geographical areas previously used for the annual series; however, some of the 14 parts of conterminous United States will be further subdivided.

The Putative Liquid-Liquid Transition is a Liquid-Solid Transition in Atomistic Models of Water

NASA Astrophysics Data System (ADS)

Chandler, David; Limmer, David

2013-03-01

Our detailed and controlled studies of free energy surfaces for models of water find no evidence for reversible polyamorphism, and a general theoretical analysis of the phase behavior of cold water in nano pores shows that measured behaviors of these systems reflect surface modulation and dynamics of ice, not a liquid-liquid critical point. A few workers reach different conclusions, reporting evidence of a liquid-liquid critical point in computer simulations of supercooled water. In some cases, it appears that these contrary results are based upon simulation algorithms that are inconsistent with principles of statistical mechanics, such as using barostats that do not reproduce the correct distribution of volume fluctuations. In other cases, the results appear to be associated with difficulty equilibrating the supercooled material and mistaking metastability for coarsening of the ordered ice phase. In this case, sufficient information is available for us to reproduce the contrary results and to establish that they are artifacts of finite time sampling. This finding leads us to the conclusion that two distinct, reversible liquid phases do not exist in models of supercooled water.

Environmental assessment model for shallow land disposal of low-level radioactive wastes

NASA Astrophysics Data System (ADS)

Little, C. A.; Fields, D. E.; Emerson, C. J.; Hiromoto, G.

1981-09-01

The PRESTO (Prediction of Radiation Effects from Shallow Trench Operations) computer code developed to evaluate health effects from shallow land burial trenches is described. This generic model assesses radionuclide transport, ensuing exposure, and health impact to a static local population for a 1000 y period following the end of burial operations. Human exposure scenarios considered include normal releases (including leaching and operational spillage), human intrusion, and site farming or reclamation. Pathways and processes of transit from the trench to an individual or population includes ground water transport overland flow, erosion, surface water dilution, resuspension, atmospheric transport, deposition, inhalation, and ingestion of contaminated beef, milk, crops, and water. Both population doses and individual doses are calculated as well as doses to the intruder and farmer. Cumulative health effects in terms of deaths from cancer are calculated for the population over the 1000 y period using a life table approach. Data bases for three shallow land burial sites (Barnwell, South Carolina, Beatty, Nevada, and West Valley, New York) are under development. The interim model, includes coding for environmental transport through air, surface water, and ground water.

Development of accurate potentials to explore the structure of water on 2D materials

NASA Astrophysics Data System (ADS)

Bejagam, Karteek; Singh, Samrendra; Deshmukh, Sanket; Deshmkuh Group Team; Samrendra Group Collaboration

Water play an important role in many biological and non-biological process. Thus structure of water at various interfaces and under confinement has always been the topic of immense interest. 2-D materials have shown great potential in surface coating applications and nanofluidic devices. However, the exact atomic level understanding of the wettability of single layer of these 2-D materials is still lacking mainly due to lack of experimental techniques and computational methodologies including accurate force-field potentials and algorithms to measure the contact angle of water. In the present study, we have developed a new algorithm to measure the accurate contact angle between water and 2-D materials. The algorithm is based on fitting the best sphere to the shape of the droplet. This novel spherical fitting method accounts for every individual molecule of the droplet, rather than those at the surface only. We employ this method of contact angle measurements to develop the accurate non-bonded potentials between water and 2-D materials including graphene and boron nitride (BN) to reproduce the experimentally observed contact angle of water on these 2-D materials. Different water models such as SPC, SPC/Fw, and TIP3P were used to study the structure of water at the interfaces.

Percentage Contributions from Atmospheric and Surface Features to Computed Brightness Temperatures

NASA Technical Reports Server (NTRS)

Jackson, Gail Skofronick

2006-01-01

Over the past few years, there has become an increasing interest in the use of millimeter-wave (mm-wave) and sub-millimeter-wave (submm-wave) radiometer observations to investigate the properties of ice particles in clouds. Passive radiometric channels respond to both the integrated particle mass throughout the volume and field of view, and to the amount, location, and size distribution of the frozen (and liquid) particles with the sensitivity varying for different frequencies and hydrometeor types. One methodology used since the 1960's to discern the relationship between the physical state observed and the brightness temperature (TB) is through the temperature weighting function profile. In this research, the temperature weighting function concept is exploited to analyze the sensitivity of various characteristics of the cloud profile, such as relative humidity, ice water path, liquid water path, and surface emissivity. In our numerical analysis, we compute the contribution (in Kelvin) from each of these cloud and surface characteristics, so that the sum of these various parts equals the computed TB. Furthermore, the percentage contribution from each of these characteristics is assessed. There is some intermingling/contamination of the contributions from various components due to the integrated nature of passive observations and the absorption and scattering between the vertical layers, but all in all the knowledge gained is useful. This investigation probes the sensitivity over several cloud classifications, such as cirrus, blizzards, light snow, anvil clouds, and heavy rain. The focus is on mm-wave and submm-wave frequencies, however discussions of the effects of cloud variations to frequencies as low as 10 GHz and up to 874 GHz will also be presented. The results show that nearly 60% of the TB value at 89 GHz comes from the earth's surface for even the heaviest blizzard snow rates. On the other hand, a significant percentage of the TB value comes from the snow in the cloud for 166, and 183 plus or minus 7 GHz for the heavy and medium snow rates. For submm-wave channels, there is no contribution from the surface because these channels cannot probe through clouds, nor normal water vapor amounts in clear air regions. This work is extremely valuable in physically-based retrieval algorithm development research.

Comparison of a vertically-averaged and a vertically-resolved model for hyporheic flow beneath a pool-riffle bedform

NASA Astrophysics Data System (ADS)

Ibrahim, Ahmad; Steffler, Peter; She, Yuntong

2018-02-01

The interaction between surface water and groundwater through the hyporheic zone is recognized to be important as it impacts the water quantity and quality in both flow systems. Three-dimensional (3D) modeling is the most complete representation of a real-world hyporheic zone. However, 3D modeling requires extreme computational power and efforts; the sophistication is often significantly compromised by not being able to obtain the required input data accurately. Simplifications are therefore often needed. The objective of this study was to assess the accuracy of the vertically-averaged approximation compared to a more complete vertically-resolved model of the hyporheic zone. The groundwater flow was modeled by either a simple one-dimensional (1D) Dupuit approach or a two-dimensional (2D) horizontal/vertical model in boundary fitted coordinates, with the latter considered as a reference model. Both groundwater models were coupled with a 1D surface water model via the surface water depth. Applying the two models to an idealized pool-riffle sequence showed that the 1D Dupuit approximation gave comparable results in determining the characteristics of the hyporheic zone to the reference model when the stratum thickness is not very large compared to the surface water depth. Conditions under which the 1D model can provide reliable estimate of the seepage discharge, upwelling/downwelling discharges and locations, the hyporheic flow, and the residence time were determined.

Biomimetic PDMS-hydroxyurethane terminated with catecholic moieties for chemical grafting on transition metal oxide-based surfaces

NASA Astrophysics Data System (ADS)

de Aguiar, Kelen R.; Rischka, Klaus; Gätjen, Linda; Noeske, Paul-Ludwig Michael; Cavalcanti, Welchy Leite; Rodrigues-Filho, Ubirajara P.

2018-01-01

The aim of this work was to synthesize a non-isocyanate poly(dimethylsiloxane) hydroxyurethane with biomimetic terminal catechol moieties, as a candidate for inorganic and metallic surface modification. Such surface modifier is capable to strongly attach onto metallic and inorganic substrates forming layers and, in addition, providing water-repellent surfaces. The non-isocyanate route is based on carbon dioxide cycloaddition into bis-epoxide, resulting in a precursor bis(cyclic carbonate)-polydimethylsiloxane (CCPDMS), thus fully replacing isocyanate in the manufacture process. A biomimetic approach was chosen with the molecular composition being inspired by terminal peptides present in adhesive proteins of mussels, like Mefp (Mytilus edulis foot protein), which bear catechol moieties and are strong adhesives even under natural and saline water. The catechol terminal groups were grafted by aminolysis reaction into a polydimethylsiloxane backbone. The product, PDMSUr-Dopamine, presented high affinity towards inhomogeneous alloy surfaces terminated by native oxide layers as demonstrated by quartz crystal microbalance (QCM-D), as well as stability against desorption by rinsing with ethanol. As revealed by QCM-D, X-ray photoelectron spectroscopy (XPS) and computational studies, the thickness and composition of the resulting nanolayers indicated an attachment of PDMSUr-Dopamine molecules to the substrate through both terminal catechol groups, with the adsorbate exposing the hydrophobic PDMS backbone. This hypothesis was investigated by classical molecular dynamic simulation (MD) of pure PDMSUr-Dopamine molecules on SiO2 surfaces. The computationally obtained PDMSUr-Dopamine assembly is in agreement with the conclusions from the experiments regarding the conformation of PDMSUr-Dopamine towards the surface. The tendency of the terminal catechol groups to approach the surface is in agreement with proposed model for the attachment PDMSUr-Dopamine. Remarkably, the versatile PDMSUr-Dopamine modifier facilitates such functionalization for various substrates such as titanium alloy, steel and ceramic surfaces.

Rock failure analysis by combined thermal weakening and water jet impact

NASA Technical Reports Server (NTRS)

Nayfeh, A. H.

1976-01-01

The influence of preheating on the initiation of fracture in rocks subjected to the impingement of a continuous water jet is studied. Preheating the rock is assumed to degrade its mechanical properties and strength in accordance with existing experimental data. The water jet is assumed to place a quasi-static loading on the surface of the rock. The loading is approximated by elementary functions which permit analytic computation of the induced stresses in a rock half-space. The resulting stresses are subsequently coupled with the Griffith criteria for tensile failure to estimate the change, due to heating, in the critical stagnation pressure and velocity of the water jet required to cause failure in the rock.

A new Ellipsoidal Gravimetric-Satellite Altimetry Boundary Value Problem; Case study: High Resolution Geoid of Iran

NASA Astrophysics Data System (ADS)

Ardalan, A.; Safari, A.; Grafarend, E.

2003-04-01

A new ellipsoidal gravimetric-satellite altimetry boundary value problem has been developed and successfully tested. This boundary value problem has been constructed for gravity observables of the type (i) gravity potential (ii) gravity intensity (iii) deflection of vertical and (iv) satellite altimetry data. The developed boundary value problem is enjoying the ellipsoidal nature and as such can take advantage of high precision GPS observations in the set-up of the problem. The highlights of the solution are as follows: begin{itemize} Application of ellipsoidal harmonic expansion up to degree/order and ellipsoidal centrifugal field for the reduction of global gravity and isostasy effects from the gravity observable at the surface of the Earth. Application of ellipsoidal Newton integral on the equal area map projection surface for the reduction of residual mass effects within a radius of 55 km around the computational point. Ellipsoidal harmonic downward continuation of the residual observables from the surface of the earth down to the surface of reference ellipsoid using the ellipsoidal height of the observation points derived from GPS. Restore of the removed effects at the application points on the surface of reference ellipsoid. Conversion of the satellite altimetry derived heights of the water bodies into potential. Combination of the downward continued gravity information with the potential equivalent of the satellite altimetry derived heights of the water bodies. Application of ellipsoidal Bruns formula for converting the potential values on the surface of the reference ellipsoid into the geoidal heights (i.e. ellipsoidal heights of the geoid) with respect to the reference ellipsoid. Computation of the high-resolution geoid of Iran has successfully tested this new methodology!

Analysis of water-surface profiles in Leon County and the city of Tallahassee, Florida

USGS Publications Warehouse

Franklin, M.A.; Orr, R.A.

1987-01-01

Water surface profiles for the 10-, 25-, 50-, and 100-yr recurrence interval floods for most of the streams that drain developing areas of Leon County and the city of Tallahassee are presented. The principal streams studied are in the Lake Munson, Lake Lafayette, and Lake Jackson basins Peak discharges were computed from regression equations based on information gained from 15 streamflow stations in the area. Standard step-backwater procedures were used to determine the water-surface elevations for the streams. The flood elevations were generally higher than those in the Flood Insurance Studies for Tallahassee (1976) and Leon County (1982). The primary reason for the higher profiles is that peak discharges used in this report are larger than those used previously, largely due to changes in land use. The flood profiles for Bradford Brook, North Branch Gum Creek, and West Branch Gum Creek generally match those in the Leon County Flood Insurance Studies. Channel improvements in some areas would lower the flood elevation in that area, but would probably increase flooding downstream. (Lantz-PTT)

Flood-inundation maps for the Mississinewa River at Marion, Indiana, 2013

USGS Publications Warehouse

Coon, William F.

2014-01-01

Digital flood-inundation maps for a 9-mile (mi) reach of the Mississinewa River from 0.75 mi upstream from the Pennsylvania Street bridge in Marion, Indiana, to 0.2 mi downstream from State Route 15 were created by the U.S. Geological Survey (USGS) in cooperation with the Indiana Office of Community and Rural Affairs. The flood inundation maps, which can be accessed through the USGS Flood Inundation Mapping Science Web site at http://water.usgs.gov/osw/flood_inundation, depict estimates of the areal extent and depth of flooding corresponding to selected water levels (stages) at the USGS streamgage on the Mississinewa River at Marion (station number 03326500). Near-real-time stages at this streamgage may be obtained on the Internet from the USGS National Water Information System at http://waterdata.usgs.gov/ or the National Weather Service (NWS) Advanced Hydrologic Prediction Service at http://water.weather.gov/ahps/, which also forecasts flood hydrographs at this site. Flood profiles were computed for the stream reach by means of a one-dimensional step-backwater model. The model was calibrated by using the current stage-discharge relation at the Mississinewa River streamgage, in combination with water-surface profiles from historic floods and from the current (2002) flood-insurance study for Grant County, Indiana. The hydraulic model was then used to compute seven water-surface profiles for flood stages at 1-fo (ft) intervals referenced to the streamgage datum and ranging from 10 ft, which is near bankfull, to 16 ft, which is between the water levels associated with the estimated 10- and 2-percent annual exceedance probability floods (floods with recurrence interval between 10 and 50 years) and equals the “major flood stage” as defined by the NWS. The simulated water-surface profiles were then combined with a Geographic Information System digital elevation model (derived from light detection and ranging (lidar) data having a 0.98 ft vertical accuracy and 4.9 ft horizontal resolution) to delineate the area flooded at each water level. The availability of these maps, along with Internet information regarding current stage from the USGS streamgage and forecasted high-flow stages from the NWS, will provide emergency management personnel and residents with information that is critical for flood response activities such as evacuations and road closures, as well as for post-flood recovery efforts.

Quantitative 3-D Imaging, Segmentation and Feature Extraction of the Respiratory System in Small Mammals for Computational Biophysics Simulations

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

Trease, Lynn L.; Trease, Harold E.; Fowler, John

2007-03-15

One of the critical steps toward performing computational biology simulations, using mesh based integration methods, is in using topologically faithful geometry derived from experimental digital image data as the basis for generating the computational meshes. Digital image data representations contain both the topology of the geometric features and experimental field data distributions. The geometric features that need to be captured from the digital image data are three-dimensional, therefore the process and tools we have developed work with volumetric image data represented as data-cubes. This allows us to take advantage of 2D curvature information during the segmentation and feature extraction process.more » The process is basically: 1) segmenting to isolate and enhance the contrast of the features that we wish to extract and reconstruct, 2) extracting the geometry of the features in an isosurfacing technique, and 3) building the computational mesh using the extracted feature geometry. “Quantitative” image reconstruction and feature extraction is done for the purpose of generating computational meshes, not just for producing graphics "screen" quality images. For example, the surface geometry that we extract must represent a closed water-tight surface.« less

Change detection of riverbed movements using river cross-sections and LiDAR data

NASA Astrophysics Data System (ADS)

Vetter, Michael; Höfle, Bernhard; Mandlburger, Gottfried; Rutzinger, Martin

2010-05-01

Today, Airborne LiDAR derived digital terrain models (DTMs) are used for several aspects in different scientific disciplines, such as hydrology, geomorphology or archaeology. In the field of river geomorphology, LiDAR data sets can provide information on the riverine vegetation, the level and boundary of the water body, the elevation of the riparian foreland and their roughness. The LiDAR systems in use for topographic data acquisition mainly operate with wavelengths of at least 1064nm and, thus, are not able to penetrate water. LiDAR sensors with two wavelengths are available (bathymetric LiDAR), but they can only provide elevation information of riverbeds or lakes, if the water is clear and the minimum water depth exceeds 1.5m. In small and shallow rivers it is impossible to collect information of the riverbed, regardless of the used LiDAR sensor. In this article, we present a method to derive a high-resolution DTM of the riverbed and to combine it with the LiDAR DTM resulting in a watercourse DTM (DTM-W) as a basis for calculating the changes in the riverbed during several years. To obtain such a DTM-W we use river cross-sections acquired by terrestrial survey or echo-sounding. First, a differentiation between water and land has to be done. A highly accurate water surface can be derived by using a water surface delineation algorithm, which incorporates the amplitude information of the LiDAR point cloud and additional geometrical features (e.g. local surface roughness). The second step is to calculate a thalweg line, which is the lowest flow path in the riverbed. This is achieved by extracting the lowest point of each river cross section and by fitting a B-spline curve through those points. In the next step, the centerline of the river is calculated by applying a shrinking algorithm of the water boundary polygon. By averaging the thalweg line and the centerline, a main flow path line can be computed. Subsequently, a dense array of 2D-profiles perpendicular to the flow path line is defined and the heights are computed by linear interpolation of the original cross sections. Thus, a very dense 3D point cloud of the riverbed is obtained from which a grid model of the river bed can be calculated applying any suitable interpolation technique like triangulation, linear prediction or inverse distance mapping. In a final step, the river bed model and the LiDAR DTM are combined resulting in a watercourse DTM. By computing different DTM-Ws from multiple cross section data sets, the volume and the magnitude of changes in the riverbed can be estimated. Hence, the erosion or accumulation areas and their volume changes during several years can be quantified.

A catchment scale water balance model for FIFE

NASA Technical Reports Server (NTRS)

Famiglietti, J. S.; Wood, E. F.; Sivapalan, M.; Thongs, D. J.

1992-01-01

A catchment scale water balance model is presented and used to predict evaporation from the King's Creek catchment at the First ISLSCP Field Experiment site on the Konza Prairie, Kansas. The model incorporates spatial variability in topography, soils, and precipitation to compute the land surface hydrologic fluxes. A network of 20 rain gages was employed to measure rainfall across the catchment in the summer of 1987. These data were spatially interpolated and used to drive the model during storm periods. During interstorm periods the model was driven by the estimated potential evaporation, which was calculated using net radiation data collected at site 2. Model-computed evaporation is compared to that observed, both at site 2 (grid location 1916-BRS) and the catchment scale, for the simulation period from June 1 to October 9, 1987.

Rainfall-runoff model for prediction of waterborne viral contamination in a small river catchment

NASA Astrophysics Data System (ADS)

Gelati, E.; Dommar, C.; Lowe, R.; Polcher, J.; Rodó, X.

2013-12-01

We present a lumped rainfall-runoff model aimed at providing useful information for the prediction of waterborne viral contamination in small rivers. Viral contamination of water bodies may occur because of the discharge of sewage effluents and of surface runoff over areas affected by animal waste loads. Surface runoff is caused by precipitation that cannot infiltrate due to its intensity and to antecedent soil water content. It may transport animal feces to adjacent water bodies and cause viral contamination. We model streamflow by separating it into two components: subsurface flow, which is produced by infiltrated precipitation; and surface runoff. The model estimates infiltrated and non-infiltrated precipitation and uses impulse-response functions to compute the corresponding fractions of streamflow. The developed methodologies are applied to the Glafkos river, whose catchment extends for 102 km2 and includes the city of Patra. Streamflow and precipitation observations are available at a daily time resolution. Waterborne virus concentration measurements were performed approximately every second week from the beginning of 2011 to mid 2012. Samples were taken at several locations: in river water upstream of Patras and in the urban area; in sea water at the river outlet and approximately 2 km south-west of Patras; in sewage effluents before and after treatment. The rainfall-runoff model was calibrated and validated using observed streamflow and precipitation data. The model contribution to waterborne viral contamination prediction was benchmarked by analyzing the virus concentration measurements together with the estimated surface runoff values. The presented methodology may be a first step towards the development of waterborne viral contamination alert systems. Predicting viral contamination of water bodies would benefit sectors such as water supply and tourism.

Global off-line evaluation of the ISBA-TRIP continental hydrological system used in the CNRM-CM6 climate model for the next CMIP6 exercise

NASA Astrophysics Data System (ADS)

Decharme, Bertrand; Vergnes, Jean-Pierre; Minvielle, Marie; Colin, Jeanne; Delire, Christine

2016-04-01

The land surface hydrology represents an active component of the climate system. It is likely to influence the water and energy exchanges at the land surface, the ocean salinity and temperature at the mouth of the largest rivers, and the climate at least at the regional scale. In climate models, the continental hydrology is simulated via Land Surface Models (LSM), which compute water and energy budgets at the surface, coupled to River Routing Model (RRM), which convert the runoff simulated by the LSMs into river discharge in order to transfer the continental fresh water into the oceans and then to close the global hydrological cycle. Validating these Continental Hydrological Systems (CHS) at the global scale is therefore a crucial task, which requires off-line simulations driven by realistic atmospheric fluxes to avoid the systematic biases commonly found in the atmospheric models. In the CNRM-CM6 climate model of Météo-France, that will be used for the next Coupled Climate Intercomparison Project phase 6 (CMIP6) exercise, the land surface hydrology is simulated using the ISBA-TRIP CHS coupled via the OASIS-MCT coupler. The ISBA LSM solves explicitly the one dimensional Fourier law for soil temperature and the mixed form of the Richards equation for soil moisture using a 14-layers discretization over 12m depths. For the snowpack, a discretization using 12 layers allows the explicit representation of some snow key processes as its viscosity, its compaction due to wind, its age and its albedo on the visible and near infrared spectra. The TRIP RRM uses a global river channel network at 0.5° resolution. It is based on a three prognostic equations for the surface stream water, the seasonal floodplains, and the groundwater. The streamflow velocity is computed using the Maning's formula. The floodplain reservoir fills when the river height exceeds the river bankfull height and vice-versa. The flood interacts with the ISBA soil hydrology through infiltration and with the overlying atmosphere through precipitation interception and free water surface evaporation. Finally, the groundwater scheme is based on the two-dimensional groundwater flow equation for the piezometric head. Its coupling with ISBA permits to account for the presence of a water table under the soil moisture column allowing upward capillarity fluxes into the soil. In this study, we will present the off-line evaluation at the global scale of the ISBA-TRIP CHS over a recent period (1979-2010). The system will be compared to observations such as GRACE (Gravity Recovery and Climate Experiment) terrestrial water storage data, snow and permafrost extents from NSIDC (National Snow and Ice Data Center), or in-situ river discharge measurements from several sources. In addition we will also explore the impacts on the simulated water budget to account for some processes such as upward capillarity fluxes from groundwaters or seasonal floodplains. At last, it is envisaged to discuss some results about land/atmosphere interactions induced by these processes in the CNRM-CM6 climate model.

A Study on the Surface and Subsurface Water Interaction Based on the Groundwater Recession Curve

NASA Astrophysics Data System (ADS)

Wang, S. T.; Chen, Y. W.; Chang, L. C.; Chiang, C. J.; Wang, Y. S.

2017-12-01

The interaction of surface to subsurface water is an important issue for groundwater resources assessment and management. The influences of surface water to groundwater are mainly through the rainfall recharge, river recharge and discharge and other boundary sources. During a drought period, the interaction of river and groundwater may be one of the main sources of groundwater level recession. Therefore, this study explores the interaction of surface water to groundwater via the groundwater recession. During drought periods, the pumping and river interaction together are the main mechanisms causing the recession of groundwater level. In principle, larger gradient of the recession curve indicates more groundwater discharge and it is an important characteristic of the groundwater system. In this study, to avoid time-consuming manual analysis, the Python programming language is used to develop a statistical analysis model for exploring the groundwater recession information. First, the slopes of the groundwater level hydrograph at every time step were computed for each well. Then, for each well, the represented slope to each groundwater level was defined as the slope with 90% exceedance probability. The relationship between the recession slope and the groundwater level can then be obtained. The developed model is applied to Choushui River Alluvial Fan. In most wells, the results show strong positive correlations between the groundwater levels and the absolute values of the recession slopes.

Sensitivity of potential evapotranspiration and simulated flow to varying meteorological inputs, Salt Creek watershed, DuPage County, Illinois

USGS Publications Warehouse

Whitbeck, David E.

2006-01-01

The Lamoreux Potential Evapotranspiration (LXPET) Program computes potential evapotranspiration (PET) using inputs from four different meteorological sources: temperature, dewpoint, wind speed, and solar radiation. PET and the same four meteorological inputs are used with precipitation data in the Hydrological Simulation Program-Fortran (HSPF) to simulate streamflow in the Salt Creek watershed, DuPage County, Illinois. Streamflows from HSPF are routed with the Full Equations (FEQ) model to determine water-surface elevations. Consequently, variations in meteorological inputs have potential to propagate through many calculations. Sensitivity of PET to variation was simulated by increasing the meteorological input values by 20, 40, and 60 percent and evaluating the change in the calculated PET. Increases in temperatures produced the greatest percent changes, followed by increases in solar radiation, dewpoint, and then wind speed. Additional sensitivity of PET was considered for shifts in input temperatures and dewpoints by absolute differences of ?10, ?20, and ?30 degrees Fahrenheit (degF). Again, changes in input temperatures produced the greatest differences in PET. Sensitivity of streamflow simulated by HSPF was evaluated for 20-percent increases in meteorological inputs. These simulations showed that increases in temperature produced the greatest change in flow. Finally, peak water-surface elevations for nine storm events were compared among unmodified meteorological inputs and inputs with values predicted 6, 24, and 48 hours preceding the simulated peak. Results of this study can be applied to determine how errors specific to a hydrologic system will affect computations of system streamflow and water-surface elevations.

Characterizing the Diurnal Cycle of Land Surface Temperature and Evapotranspiration at High Spatial Resolution Using Thermal Observations from sUAS.

NASA Astrophysics Data System (ADS)

Dutta, D.; Drewry, D.; Johnson, W. R.

2017-12-01

The surface temperature of plant canopies is an important indicator of the stomatal regulation of plant water use and the associated water flux from plants to atmosphere (evapotranspiration (ET)). Remotely sensed thermal observations using compact, low-cost, lightweight sensors from small unmanned aerial systems (sUAS) have the potential to provide surface temperature (ST) and ET estimates at unprecedented spatial and temporal resolutions, allowing us to characterize the intra-field diurnal variations in canopy ST and ET for a variety of vegetation systems. However, major challenges exist for obtaining accurate surface temperature estimates from low-cost uncooled microbolometer-type sensors. Here we describe the development of calibration methods using thermal chamber experiments, taking into account the ambient optics and sensor temperatures, and applying simple models of spatial non-uniformity correction to the sensor focal-plane-array. We present a framework that can be used to derive accurate surface temperatures using radiometric observations from low-cost sensors, and demonstrate this framework using a sUAS-mounted sensor across a diverse set of calibration and vegetation targets. Further, we demonstrate the use of the Surface Temperature Initiated Closure (STIC) model for computing spatially explicit, high spatial resolution ET estimates across several well-monitored agricultural systems, as driven by sUAS acquired surface temperatures. STIC provides a physically-based surface energy balance framework for the simultaneous retrieval of the surface and atmospheric vapor conductances and surface energy fluxes, by physically integrating radiometric surface temperature information into the Penman-Monteith equation. Results of our analysis over agricultural systems in Ames, IA and Davis, CA demonstrate the power of this approach for quantifying the intra-field spatial variability in the diurnal cycle of plant water use at sub-meter resolutions.

The Impact of Water Loading on Estimates of Postglacial Decay Times in Hudson Bay

NASA Astrophysics Data System (ADS)

Han, H. K.; Gomez, N. A.

2016-12-01

Ongoing glacial isostatic adjustment (GIA) due to surface loading (ice and water) variations since the Last Glacial Maximum (LGM) has been contributing to sea level changes globally throughout the Holocene, especially in regions like the Canada that were heavily glaciated during the LGM. The spatial and temporal distribution of GIA and relative sea level change are attributed to the ice history and the rheological structure of the solid Earth, both of which are uncertain. It has been shown that relative sea level curves in previously glaciated regions follow an exponential-like form, and the post glacial decay times associated with that form have weak sensitivity to the details of the ice loading history (Andrews 1970, Walcott 1980, Mitrovica & Peltier 1995). Post glacial decay time estimates may therefore be used to constrain the Earth's structure and improve GIA predictions. However, estimates of decay times in Hudson Bay in the literature differ significantly due to a number of sources of uncertainty and bias (Mitrovica et al. 2000). Previous decay time analyses have not considered the potential bias that surface loading associated with Holocene sea level changes can introduce in decay time estimates derived from nearby relative sea level observations. We explore the spatial patterns of post glacial decay time predictions in previously glaciated regions, and their sensitivity to ice and water loading history. We compute post glacial sea level changes over the last deglaciation from 21ka to the modern associated with the ICE5G (Peltier, 2004) and ICE6G (Argus et al. 2014, Peltier et al. 2015) ice history models. We fit exponential curves to the modeled relative sea level changes, and compute maps of post glacial decay time predictions across North America and the Arctic. In addition, we decompose the modeled relative sea level changes into contributions from water and ice loading effects, and compute the impact of water loading redistribution since the LGM on present day decay times. We show that Holocene water loading in the Hudson Bay may introduce significant bias in decay time estimates and we highlight locations where biases are minimized.

Documentation of Computer Program INFIL3.0 - A Distributed-Parameter Watershed Model to Estimate Net Infiltration Below the Root Zone

USGS Publications Warehouse

,

2008-01-01

This report documents the computer program INFIL3.0, which is a grid-based, distributed-parameter, deterministic water-balance watershed model that calculates the temporal and spatial distribution of daily net infiltration of water across the lower boundary of the root zone. The bottom of the root zone is the estimated maximum depth below ground surface affected by evapotranspiration. In many field applications, net infiltration below the bottom of the root zone can be assumed to equal net recharge to an underlying water-table aquifer. The daily water balance simulated by INFIL3.0 includes precipitation as either rain or snow; snowfall accumulation, sublimation, and snowmelt; infiltration into the root zone; evapotranspiration from the root zone; drainage and water-content redistribution within the root-zone profile; surface-water runoff from, and run-on to, adjacent grid cells; and net infiltration across the bottom of the root zone. The water-balance model uses daily climate records of precipitation and air temperature and a spatially distributed representation of drainage-basin characteristics defined by topography, geology, soils, and vegetation to simulate daily net infiltration at all locations, including stream channels with intermittent streamflow in response to runoff from rain and snowmelt. The model does not simulate streamflow originating as ground-water discharge. Drainage-basin characteristics are represented in the model by a set of spatially distributed input variables uniquely assigned to each grid cell of a model grid. The report provides a description of the conceptual model of net infiltration on which the INFIL3.0 computer code is based and a detailed discussion of the methods by which INFIL3.0 simulates the net-infiltration process. The report also includes instructions for preparing input files necessary for an INFIL3.0 simulation, a description of the output files that are created as part of an INFIL3.0 simulation, and a sample problem that illustrates application of the code to a field setting. Brief descriptions of the main program routine and of each of the modules and subroutines of the INFIL3.0 code, as well as definitions of the variables used in each subroutine, are provided in an appendix.

Simulation of floods caused by overloaded sewer systems: extensions of shallow-water equations

NASA Astrophysics Data System (ADS)

Hilden, Michael

2005-03-01

The outflow of water from a manhole onto a street is a typical flow problem within the simulation of floods in urban areas that are caused by overloaded sewer systems in the event of heavy rains. The reliable assessment of the flood risk for the connected houses requires accurate simulations of the water flow processes in the sewer system and in the street.The Navier-Stokes equations (NSEs) describe the free surface flow of the fluid water accurately, but since their numerical solution requires high CPU times and much memory, their application is not practical. However, their solutions for selected flow problems are applied as reference states to assess the results of other model approaches.The classical shallow-water equations (SWEs) require only fractions (factor 1/100) of the NSEs' computational effort. They assume hydrostatic pressure distribution, depth-averaged horizontal velocities and neglect vertical velocities. These shallow-water assumptions are not fulfilled for the outflow of water from a manhole onto the street. Accordingly, calculations show differences between NSEs and SWEs solutions.The SWEs are extended in order to assess the flood risks in urban areas reliably within applicable computational efforts. Separating vortex regions from the main flow and approximating vertical velocities to involve their contributions into a pressure correction yield suitable results.

Distributed Water Pollution Source Localization with Mobile UV-Visible Spectrometer Probes in Wireless Sensor Networks.

PubMed

Ma, Junjie; Meng, Fansheng; Zhou, Yuexi; Wang, Yeyao; Shi, Ping

2018-02-16

Pollution accidents that occur in surface waters, especially in drinking water source areas, greatly threaten the urban water supply system. During water pollution source localization, there are complicated pollutant spreading conditions and pollutant concentrations vary in a wide range. This paper provides a scalable total solution, investigating a distributed localization method in wireless sensor networks equipped with mobile ultraviolet-visible (UV-visible) spectrometer probes. A wireless sensor network is defined for water quality monitoring, where unmanned surface vehicles and buoys serve as mobile and stationary nodes, respectively. Both types of nodes carry UV-visible spectrometer probes to acquire in-situ multiple water quality parameter measurements, in which a self-adaptive optical path mechanism is designed to flexibly adjust the measurement range. A novel distributed algorithm, called Dual-PSO, is proposed to search for the water pollution source, where one particle swarm optimization (PSO) procedure computes the water quality multi-parameter measurements on each node, utilizing UV-visible absorption spectra, and another one finds the global solution of the pollution source position, regarding mobile nodes as particles. Besides, this algorithm uses entropy to dynamically recognize the most sensitive parameter during searching. Experimental results demonstrate that online multi-parameter monitoring of a drinking water source area with a wide dynamic range is achieved by this wireless sensor network and water pollution sources are localized efficiently with low-cost mobile node paths.

Distributed Water Pollution Source Localization with Mobile UV-Visible Spectrometer Probes in Wireless Sensor Networks

PubMed Central

Zhou, Yuexi; Wang, Yeyao; Shi, Ping

2018-01-01

Pollution accidents that occur in surface waters, especially in drinking water source areas, greatly threaten the urban water supply system. During water pollution source localization, there are complicated pollutant spreading conditions and pollutant concentrations vary in a wide range. This paper provides a scalable total solution, investigating a distributed localization method in wireless sensor networks equipped with mobile ultraviolet-visible (UV-visible) spectrometer probes. A wireless sensor network is defined for water quality monitoring, where unmanned surface vehicles and buoys serve as mobile and stationary nodes, respectively. Both types of nodes carry UV-visible spectrometer probes to acquire in-situ multiple water quality parameter measurements, in which a self-adaptive optical path mechanism is designed to flexibly adjust the measurement range. A novel distributed algorithm, called Dual-PSO, is proposed to search for the water pollution source, where one particle swarm optimization (PSO) procedure computes the water quality multi-parameter measurements on each node, utilizing UV-visible absorption spectra, and another one finds the global solution of the pollution source position, regarding mobile nodes as particles. Besides, this algorithm uses entropy to dynamically recognize the most sensitive parameter during searching. Experimental results demonstrate that online multi-parameter monitoring of a drinking water source area with a wide dynamic range is achieved by this wireless sensor network and water pollution sources are localized efficiently with low-cost mobile node paths. PMID:29462929

Implementation of the Australian Water Observations from Space (WOfS) Algorithm in Africa and South America using the CEOS Data Cube

NASA Astrophysics Data System (ADS)

Purss, M. B. J.; Mueller, N. R.; Killough, B.; Oliver, S. A.

2016-12-01

In 2014 Geoscience Australia launched Water Observations from Space (WOfS) providing a continental-scale water product that shows how often surface water has been observed across Australia by the Landsat satellites since 1987. WOfS is a 23-step band-based decision tree that classifies pixels as water or non-water with 97% overall accuracy. The enabling infrastructure for WOfS is the Australian Geoscience Data Cube (AGDC), a high performance computing system organising Australian earth observation data into a systematic, consistently corrected analysis engine. The Committee on Earth Observation Satellites (CEOS) has adopted the AGDC methodology to create a series of international Data Cubes to provide the same capability to areas that would otherwise not be able to undertake time series analysis of the environment at these scales. The CEOS Systems Engineering Office (SEO) recently completed testing of WOfS using Data Cubes based on the AGDC version 2 over Kenya and Colombia. The results show how Data Cubes can provide water management information at large scales, and provide information in remote locations where other sources of water information are unavailable. The results also show an improvement in water detection capability over the Landsat CFmask. This water management product provides critical insight into the behavior of surface water over time and in particular, the extent of flooding.

Artificial upwelling using the energy of surface waves

NASA Astrophysics Data System (ADS)

Soloviev, A.

2016-02-01

The ocean is an important component of climate and climate change, since the heat capacity of a few meters of the upper ocean is equivalent to the heat capacity of the entire atmosphere. (Solar radiation and IR balance in the atmosphere are of course major factors as well.) Artificial upwelling devices using the energy of surface waves, similar to those developed by Vershinskiy, Pshenichnyy, and Soloviev (1987), can bring cold water from below the thermocline to the sea surface. Their wave-inertia pump consisted of a vertical tube, a valve, and a buoy to keep the device afloat. The device operated by using energy of surface waves to create an upward flow of water in the tube. An outlet valve at the top of the unit synchronized the operation of the device with surface waves and prevented back-splashing. A single device with a 100 m long and 1.2 m diameter tube is able to produce up to 1 m3s-1 flow of deep water to the surface. With a 10oC temperature difference over 100 m depth, the negative heat supply rate to the sea surface is 42 MW, which is equivalent to a 42 Wm-2 heat flux, if distributed over 1 km2 area. Such flux is comparable to the average net air-sea flux. This type of artificial upwelling can cool down the sea surface, modify climate on a regional scale and possibly help mitigate hurricanes. The cold water brought from the deep layer, however, has a larger density than the surface water and therefore has a tendency to sink back down. In this work, the efficiency of wave-inertia pumps has been estimated for different environmental conditions using a computational fluid dynamics model. The cooled near-surface layer of the ocean will be getting more heat from the sun, which is a detrimental consequence. Cloud seeding can help to mitigate this extra warming. A synergistic approach to climate engineering can thus reduce detriments and increase potential benefits of this system to society.

Involving regional expertise in nationwide modeling for adequate prediction of climate change effects on different demands for fresh water

NASA Astrophysics Data System (ADS)

de Lange, Wim; Prinsen, Geert.; Hoogewoud, Jacco; Veldhuizen, Ab; Ruijgh, Erik; Kroon, Timo

2013-04-01

Nationwide modeling aims to produce a balanced distribution of climate change effects (e.g. harm on crops) and possible compensation (e.g. volume fresh water) based on consistent calculation. The present work is based on the Netherlands Hydrological Instrument (NHI, www.nhi.nu), which is a national, integrated, hydrological model that simulates distribution, flow and storage of all water in the surface water and groundwater systems. The instrument is developed to assess the impact on water use on land-surface (sprinkling crops, drinking water) and in surface water (navigation, cooling). The regional expertise involved in the development of NHI come from all parties involved in the use, production and management of water, such as waterboards, drinking water supply companies, provinces, ngo's, and so on. Adequate prediction implies that the model computes changes in the order of magnitude that is relevant to the effects. In scenarios related to drought, adequate prediction applies to the water demand and the hydrological effects during average, dry, very dry and extremely dry periods. The NHI acts as a part of the so-called Deltamodel (www.deltamodel.nl), which aims to predict effects and compensating measures of climate change both on safety against flooding and on water shortage during drought. To assess the effects, a limited number of well-defined scenarios is used within the Deltamodel. The effects on demand of fresh water consist of an increase of the demand e.g. for surface water level control to prevent dike burst, for flushing salt in ditches, for sprinkling of crops, for preserving wet nature and so on. Many of the effects are dealt with? by regional and local parties. Therefore, these parties have large interest in the outcome of the scenario analyses. They are participating in the assessment of the NHI previous to the start of the analyses. Regional expertise is welcomed in the calibration phase of NHI. It aims to reduce uncertainties by improving the rules for manmade re-direction of surface water, schematizations & parameters included in the model. This is carried out in workshops and in one-to-one expert meetings on regional models & the NHI. All results of NHI are presented on the internet and any expert may suggest improvements to the model. The final goal of the involvement of regional parties is the acceptation by decision impact receiving authorities

Free energy barriers to evaporation of water in hydrophobic confinement.

PubMed

Sharma, Sumit; Debenedetti, Pablo G

2012-11-08

We use umbrella sampling Monte Carlo and forward and reverse forward flux sampling (FFS) simulation techniques to compute the free energy barriers to evaporation of water confined between two hydrophobic surfaces separated by nanoscopic gaps, as a function of the gap width, at 1 bar and 298 K. The evaporation mechanism for small (1 × 1 nm(2)) surfaces is found to be fundamentally different from that for large (3 × 3 nm(2)) surfaces. In the latter case, the evaporation proceeds via the formation of a gap-spanning tubular cavity. The 1 × 1 nm(2) surfaces, in contrast, are too small to accommodate a stable vapor cavity. Accordingly, the associated free energy barriers correspond to the formation of a critical-sized cavity for sufficiently large confining surfaces, and to complete emptying of the gap region for small confining surfaces. The free energy barriers to evaporation were found to be of O(20kT) for 14 Å gaps, and to increase by approximately ~5kT with every 1 Å increase in the gap width. The entropy contribution to the free energy of evaporation was found to be independent of the gap width.

A Lagrangian model for the age of tracer in surface water

NASA Astrophysics Data System (ADS)

Ding, Yu; Liu, Haifei; Yi, Yujun

The age of tracer is a spatio-temporal scale, indicating the transition time of solute particles, which is helpful to monitor and manage the pollutant leakage accidents. In this study, an effective Lagrangian model for the age of tracer is developed based on the lattice Boltzmann method in D2Q5 lattices. A tracer age problem in an asymmetrical circular reservoir is then employed as a benchmark test to verify this method. Then it is applied to computing the age of tracers under two different reservoir operation schemes in the Danjiangkou Reservoir, the drinking water source for the Middle Route of South-to-North Water Transfer Project.

A new technique for monitoring the water vapor in the atmosphere

NASA Technical Reports Server (NTRS)

Black, H. D.; Eisner, A.

1984-01-01

In the correction of satellite Doppler data for tropospheric effects the precipitable water vapor (PWV) is inferred at the tracking site. The technique depends on: (1) an ephemeris for the satellite; (2) an analytic model for the refraction range effect that is good to a few centimeters; (3) Doppler data with noise level below 10 centimeters; and (4) a surface pressure/temperature measurement at the tracking site. The PWV is a by product of the computation necessary to correct the Doppler data for tropospheric effects. A formulation of the refraction integral minimizes the necessity for explicit water vapor, temperature and pressure profiles.

In-situ resource utilization for the human exploration of Mars : a Bayesian approach to valuation of precursor missions

NASA Technical Reports Server (NTRS)

Smith, Jeffrey H.

2006-01-01

The need for sufficient quantities of oxygen, water, and fuel resources to support a crew on the surface of Mars presents a critical logistical issue of whether to transport such resources from Earth or manufacture them on Mars. An approach based on the classical Wildcat Drilling Problem of Bayesian decision theory was applied to the problem of finding water in order to compute the expected value of precursor mission sample information. An implicit (required) probability of finding water on Mars was derived from the value of sample information using the expected mass savings of alternative precursor missions.

A flow-simulation model of the tidal Potomac River

USGS Publications Warehouse

Schaffranek, Raymond W.

1987-01-01

A one-dimensional model capable of simulating flow in a network of interconnected channels has been applied to the tidal Potomac River including its major tributaries and embayments between Washington, D.C., and Indian Head, Md. The model can be used to compute water-surface elevations and flow discharges at any of 66 predetermined locations or at any alternative river cross sections definable within the network of channels. In addition, the model can be used to provide tidal-interchange flow volumes and to evaluate tidal excursions and the flushing properties of the riverine system. Comparisons of model-computed results with measured watersurface elevations and discharges demonstrate the validity and accuracy of the model. Tidal-cycle flow volumes computed by the calibrated model have been verified to be within an accuracy of ? 10 percent. Quantitative characteristics of the hydrodynamics of the tidal river are identified and discussed. The comprehensive flow data provided by the model can be used to better understand the geochemical, biological, and other processes affecting the river's water quality.

Numerical analysis of one-dimensional temperature data for groundwater/surface-water exchange with 1DTempPro

NASA Astrophysics Data System (ADS)

Voytek, E. B.; Drenkelfuss, A.; Day-Lewis, F. D.; Healy, R. W.; Lane, J. W.; Werkema, D. D.

2012-12-01

Temperature is a naturally occurring tracer, which can be exploited to infer the movement of water through the vadose and saturated zones, as well as the exchange of water between aquifers and surface-water bodies, such as estuaries, lakes, and streams. One-dimensional (1D) vertical temperature profiles commonly show thermal amplitude attenuation and increasing phase lag of diurnal or seasonal temperature variations with propagation into the subsurface. This behavior is described by the heat-transport equation (i.e., the convection-conduction-dispersion equation), which can be solved analytically in 1D under certain simplifying assumptions (e.g., sinusoidal or steady-state boundary conditions and homogeneous hydraulic and thermal properties). Analysis of 1D temperature profiles using analytical models provides estimates of vertical groundwater/surface-water exchange. The utility of these estimates can be diminished when the model assumptions are violated, as is common in field applications. Alternatively, analysis of 1D temperature profiles using numerical models allows for consideration of more complex and realistic boundary conditions. However, such analyses commonly require model calibration and the development of input files for finite-difference or finite-element codes. To address the calibration and input file requirements, a new computer program, 1DTempPro, is presented that facilitates numerical analysis of vertical 1D temperature profiles. 1DTempPro is a graphical user interface (GUI) to the USGS code VS2DH, which numerically solves the flow- and heat-transport equations. Pre- and post-processor features within 1DTempPro allow the user to calibrate VS2DH models to estimate groundwater/surface-water exchange and hydraulic conductivity in cases where hydraulic head is known. This approach improves groundwater/ surface-water exchange-rate estimates for real-world data with complexities ill-suited for examination with analytical methods. Additionally, the code allows for time-varying temperature and hydraulic boundary conditions. Here, we present the approach and include examples for several datasets from stream/aquifer systems.

Incorporating contact angles in the surface tension force with the ACES interface curvature scheme

NASA Astrophysics Data System (ADS)

Owkes, Mark

2017-11-01

In simulations of gas-liquid flows interacting with solid boundaries, the contact line dynamics effect the interface motion and flow field through the surface tension force. The surface tension force is directly proportional to the interface curvature and the problem of accurately imposing a contact angle must be incorporated into the interface curvature calculation. Many commonly used algorithms to compute interface curvatures (e.g., height function method) require extrapolating the interface, with defined contact angle, into the solid to allow for the calculation of a curvature near a wall. Extrapolating can be an ill-posed problem, especially in three-dimensions or when multiple contact lines are near each other. We have developed an accurate methodology to compute interface curvatures that allows for contact angles to be easily incorporated while avoiding extrapolation and the associated challenges. The method, known as Adjustable Curvature Evaluation Scale (ACES), leverages a least squares fit of a polynomial to points computed on the volume-of-fluid (VOF) representation of the gas-liquid interface. The method is tested by simulating canonical test cases and then applied to simulate the injection and motion of water droplets in a channel (relevant to PEM fuel cells).

Field testing model predictions of foam coverage and bubble content in the surf zone

NASA Astrophysics Data System (ADS)

Shi, F.; Kirby, J. T.; Ma, G.; Holman, R. A.; Chickadel, C. C.

2012-12-01

Field-scale modeling of surfzone bubbles and foam coverage is challenging in terms of the computational intensity of multi-phase bubble models based on Navier-Stokes/VOF formulation. In this study, we developed the NHWAVE-bubble package, which includes a 3D non-hydrostatic wave model NHWAVE (Ma et al., 2012), a multi-phase bubble model and a foam model. NHWAVE uses a surface and bottom following sigma coordinate system, making it more applicable to 3D modeling of nearshore waves and circulation in a large-scale field domain. It has been extended to include a multiphase description of polydisperse bubble populations following the approach applied in a 3D VOF model by Ma et al. (2012). A model of a foam layer on the water surface is specified in the model package using a shallow water formulation based on a balance of drag forces due to wind and water column motion. Foam mass conservation includes source and sink terms representing outgassing of the water column, direct foam generation due to surface agitation, and erosion due to bubble bursting. The model is applied in a field scale domain at FRF, Duck, NC where optical data in either visible band (ARGUS) or infrared band were collected during 2010 Surf Zone Optics experiments. The decay of image brightness or intensity following the passage of wave crests is presumably tied to both decay of bubble populations and foam coverage after passage of a broken wave crest. Infrared imagery is likely to provide more detailed information which could separate active breaking from passive foam decay on the surface. Model results will be compared with the measurements with an attention to distinguishing between active generation and passive decay of the foam signature on the water surface.

Model development for nutrient loading estimates from paddy rice fields in Korea.

PubMed

Jeon, Ji-Hong; Yoon, Chun G; Ham, Jong-Hwa; Jung, Kwang-Wook

2004-01-01

A field experiment was performed to evaluate water and nutrient balances in paddy rice culture operations during 2001-2002. The water balance analysis indicated that about half (50-60%) of the total outflow was lost by surface drainage, with the remainder occurring by evapotranspiration (490-530 mm). The surface drainage from paddy fields was mainly caused by rainfall and forced-drainage, and in particular, the runoff during early rice culture periods depends more on the forced-drainage due to fertilization practices. Most of the total phosphorus (T-P) inflow was supplied by fertilization at transplanting, while the total nitrogen (T-N) inflow was supplied by the three fertilizations, precipitation. and from the upper paddy field, which comprised 13-33% of the total inflow. Although most of the nutrient outflow was attributed to plant uptake. nutrient loss by surface drainage was substantial, comprising 20% for T-N and 10% for T-P. Water and nutrient balances indicate that reduction of surface drainage from paddy rice fields is imperative for nonpoint source pollution control. The simplified computer model, PADDIMOD, was developed to simulate water and nutrient (T-N and T-P) behavior in the paddy rice field. The model predicts daily ponded water depth, surface drainage, and nutrient concentrations. It was formulated with a few equations and simplified assumptions, but its application and a model fitness test indicated that the simulation results reasonably matched the observed data. It is a simple and convenient planning model that could be used to evaluate BMPs of paddy rice fields alone or in combination with other complex watershed models. Application of the PADDIMOD to other paddy rice fields with different agricultural environments might require further calibration and validation.

Relating Cirrus Cloud Properties to Observed Fluxes: A Critical Assessment.

NASA Astrophysics Data System (ADS)

Vogelmann, A. M.; Ackerman, T. P.

1995-12-01

The accuracy needed in cirrus cloud scattering and microphysical properties is quantified such that the radiative effect on climate can he determined. Our ability to compute and observe these properties to within needed accuracies is assessed, with the greatest attention given to those properties that most affect the fluxes.Model calculations indicate that computing net longwave fluxes at the surface to within ±5% requires that cloud temperature be known to within as little as ±3 K in cold climates for extinction optical depths greater than two. Such accuracy could be more difficult to obtain than that needed in the values of scattering parameters. For a baseline case (defined in text), computing net shortwave fluxes at the surface to within ±5% requires accuracies in cloud ice water content that, when the optical depth is greater than 1.25, are beyond the accuracies of current measurements. Similarly, surface shortwave flux computations require accuracies in the asymmetry parameter that are beyond our current abilities when the optical depth is greater than four. Unless simplifications are discovered, the scattering properties needed to compute cirrus cloud fluxes cannot be obtained explicitly with existing scattering algorithms because the range of crystal sizes is too great and crystal shapes are too varied to be treated computationally. Thus, bulk cirrus scattering properties might be better obtained by inverting cirrus cloud fluxes and radiances. Finally, typical aircraft broadband flux measurements are not sufficiently accurate to provide a convincing validation of calculations. In light of these findings we recommend a reexamination of the methodology used in field programs such as FIRE and suggest a complementary approach.

Ions in water: Free energies, surface effects, and geometrical constraints

NASA Astrophysics Data System (ADS)

Herce, Henry David

In this work, we present our results for ion solvation in finite and infinite water clusters. Molecular Dynamic simulations are used to connect the fundamental macroscopic quantities such as free energy, internal energy and entropy with the underlying microscopic description. Molecular dynamics studies complement experimental results and lead to a deeper insight into the solvation and diffusion of ionic species. Beyond its intrinsic interest, the ion solvation problem has practical relevance because of its role as ideal model system with which to construct and test ion-water interaction potentials. The ionic charging free energy is a very sensitive probe for the treatment of electrostatics in any given simulation setting. In this work, we present methods to compute the ionic charging free energy in systems characterized by atomic charges, and higher-order multipoles, mainly dipoles and quadrupoles. The results of these methods under periodic boundary conditions and spherical boundary conditions are then compared. For the treatment of spherical boundary conditions, we introduce a generalization of Gauss' law that links the microscopic variables to the relevant thermodynamic quantities. Ionic solvation in finite clusters is a problem relevant for many areas of chemistry and biology, such as the gas-liquid interface of tropospheric aerosol particles, or the interphase between water and proteins, membranes, etc. Careful evaluations of the free energy, internal energy and entropy are used to address controversial or unresolved issues, related to the underlying physical cause of surface solvation, and the basic assumptions that go with it. Our main conclusions are the following: (i) The main cause of surface solvation of a single ion in a water cluster is both water and ion polarization, coupled to the charge and size of the ion. Interestingly, the total energy of the ion increases near the cluster surface, while the total energy of water decreases. Also, our analysis clearly shows that the cause of surface solvation is not the size of the total water dipole (unless this is too small). (ii) The entropic contribution is the same order of magnitude as the energetic contribution, and therefore cannot be neglected for quantitative results. (iii) A pure energetic analysis can give a qualitative description of the ion position at room temperature. (iv) We have observed surface solvation of a large positive iodine-like ion in a polarizable water cluster, but not in a non-polarizable water cluster.

Using monomer vibrational wavefunctions to compute numerically exact (12D) rovibrational levels of water dimer

NASA Astrophysics Data System (ADS)

Wang, Xiao-Gang; Carrington, Tucker

2018-02-01

We compute numerically exact rovibrational levels of water dimer, with 12 vibrational coordinates, on the accurate CCpol-8sf ab initio flexible monomer potential energy surface [C. Leforestier et al., J. Chem. Phys. 137, 014305 (2012)]. It does not have a sum-of-products or multimode form and therefore quadrature in some form must be used. To do the calculation, it is necessary to use an efficient basis set and to develop computational tools, for evaluating the matrix-vector products required to calculate the spectrum, that obviate the need to store the potential on a 12D quadrature grid. The basis functions we use are products of monomer vibrational wavefunctions and standard rigid-monomer basis functions (which involve products of three Wigner functions). Potential matrix-vector products are evaluated using the F matrix idea previously used to compute rovibrational levels of 5-atom and 6-atom molecules. When the coupling between inter- and intra-monomer coordinates is weak, this crude adiabatic type basis is efficient (only a few monomer vibrational wavefunctions are necessary), although the calculation of matrix elements is straightforward. It is much easier to use than an adiabatic basis. The product structure of the basis is compatible with the product structure of the kinetic energy operator and this facilitates computation of matrix-vector products. Compared with the results obtained using a [6 + 6]D adiabatic approach, we find good agreement for the inter-molecular levels and larger differences for the intra-molecular water bend levels.

Using monomer vibrational wavefunctions to compute numerically exact (12D) rovibrational levels of water dimer.

PubMed

Wang, Xiao-Gang; Carrington, Tucker

2018-02-21

We compute numerically exact rovibrational levels of water dimer, with 12 vibrational coordinates, on the accurate CCpol-8sf ab initio flexible monomer potential energy surface [C. Leforestier et al., J. Chem. Phys. 137, 014305 (2012)]. It does not have a sum-of-products or multimode form and therefore quadrature in some form must be used. To do the calculation, it is necessary to use an efficient basis set and to develop computational tools, for evaluating the matrix-vector products required to calculate the spectrum, that obviate the need to store the potential on a 12D quadrature grid. The basis functions we use are products of monomer vibrational wavefunctions and standard rigid-monomer basis functions (which involve products of three Wigner functions). Potential matrix-vector products are evaluated using the F matrix idea previously used to compute rovibrational levels of 5-atom and 6-atom molecules. When the coupling between inter- and intra-monomer coordinates is weak, this crude adiabatic type basis is efficient (only a few monomer vibrational wavefunctions are necessary), although the calculation of matrix elements is straightforward. It is much easier to use than an adiabatic basis. The product structure of the basis is compatible with the product structure of the kinetic energy operator and this facilitates computation of matrix-vector products. Compared with the results obtained using a [6 + 6]D adiabatic approach, we find good agreement for the inter-molecular levels and larger differences for the intra-molecular water bend levels.

Estimation of regional surface resistance to evapotranspiration from NDVI and thermal-IR AVHRR data. [Normalized Difference Vegetation Index

NASA Technical Reports Server (NTRS)

Nemani, Ramakrishna R.; Running, Steven W.

1989-01-01

Infrared surface temperatures from satellite sensors have been used to infer evaporation and soil moisture distribution over large areas. However, surface energy partitioning to latent versus sensible heat changes with surface vegetation cover and water availability. The hypothesis that the relationship between surface temperature and canopy density is sensitivite to seasonal changes in canopy resistance of conifer forests is presently tested. Surface temperature and canopy density were computed for a 20 x 25 km forested region in Montana, from the NOAA/AVHRR for 8 days during the summer of 1985. A forest ecosystem model, FOREST-BGC, simulated canopy resistance for the same period. For all eight days, surface temperatures had high association with canopy density, measured as Normalized Difference Vegetation Index, implying that latent heat exchange is the major cause of spatial variations in surface radiant tmeperatures.

Preferred orientation of albumin adsorption on a hydrophilic surface from molecular simulation.

PubMed

Hsu, Hao-Jen; Sheu, Sheh-Yi; Tsay, Ruey-Yug

2008-12-01

In general, non-specific protein adsorption follows a two-step procedure, i.e. first adsorption onto a surface in native form, and a subsequent conformational change on the surface. In order to predict the subsequent conformational change, it is important to determine the preferred orientation of an adsorbed protein in the first step of the adsorption. In this work, a method based on finding the global minimum of the interaction potential energy of an adsorbed protein has been developed to delineate the preferred orientations for the adsorption of human serum albumin (HSA) on a model surface with a hydrophilic self-assembled monolayer (SAM). For computational efficiency, solvation effects were greatly simplified by only including the dampening of electrostatic effects while neglecting contributions due to the competition of water molecules for the functional groups on the surface. A contour map obtained by systematic rotation of a molecule in conjunction with perpendicular motion to the surface gives the minimum interaction energy of the adsorbed molecule at various adsorption orientations. Simulation results show that for an -OH terminated SAM surface, a "back-on" orientation of HSA is the preferred orientation. The projection area of this adsorption orientation corresponds with the "triangular-side-on" adsorption of a heart shaped HSA molecule. The method proposed herein is able to provide results which are consistent with those predicted by Monte Carlo (MC) simulations with a substantially less computing cost. The high computing efficiency of the current method makes it possible to be implemented as a design tool for the control of protein adsorption on surfaces; however, before this can be fully realized, these methods must be further developed to enable interaction free energy to be calculated in place of potential energy, along with a more realistic representation of solvation effects.

Modeling and simulation of ocean wave propagation using lattice Boltzmann method

NASA Astrophysics Data System (ADS)

Nuraiman, Dian

2017-10-01

In this paper, we present on modeling and simulation of ocean wave propagation from the deep sea to the shoreline. This requires high computational cost for simulation with large domain. We propose to couple a 1D shallow water equations (SWE) model with a 2D incompressible Navier-Stokes equations (NSE) model in order to reduce the computational cost. The coupled model is solved using the lattice Boltzmann method (LBM) with the lattice Bhatnagar-Gross-Krook (BGK) scheme. Additionally, a special method is implemented to treat the complex behavior of free surface close to the shoreline. The result shows the coupled model can reduce computational cost significantly compared to the full NSE model.

Friction at ice-Ih / water interfaces

NASA Astrophysics Data System (ADS)

Louden, Patrick B.; Gezelter, J. Daniel

We present evidence that the prismatic and secondary prism facets of ice-Ih crystals possess structural features that alter the effective hydrophilicity of the ice / water interface. This is shown through molecular dynamics simulations of solid-liquid friction, where the prismatic { 10 1 0 } , secondary prism { 11 2 0 } , basal { 0001 } , and pyramidal { 20 2 1 } facets are drawn through liquid water. We find that the two prismatic facets exhibit differential solid-liquid friction coefficients when compared with the basal and pyramidal facets. These results are complemented by a model solid/liquid interface with tunable hydrophilicity. These simulations provide evidence that the two prismatic faces have a significantly smaller effective surface area in contact with the liquid water. The ice / water interfacial widths for all four crystal facets are similar (using both structural and dynamic measures), and were found to be independent of the shear rate. Additionally, decomposition of orientational time correlation functions show position-dependence for the short- and longer-time decay components close to the interface. Support for this project was provided by the National Science Foundation under Grant CHE-1362211. Computational time was provided by the Center for Research Computing (CRC) at the University of Notre Dame.

Utilization of ERTS-1 data to monitor and classify eutrophication of inland lakes

NASA Technical Reports Server (NTRS)

Rogers, R. H.; Smith, V. E. (Principal Investigator)

1973-01-01

The author has identified the following significant results. Significant findings are: (1) one-acre lakes and one-acre islands are detectable; (2)removal of atmospheric parameters derived from RPMI measurements show test lakes to have reflectances of 3.1 to 5.5% in band 4 and 0.3 to 2.3% in band 5; (3) failure to remove reflectance caused by atmosphere results in errors up to 500% in computing lake reflectance from ERTS-1 data; (4) in band 4, up to seven reflectance levels were observed in test lakes; (5) reflectance patterns have been displayed on a color-coded TV monitor and on computer-generated gray scales; (6) deep and shallow water can be separated by a trained photointerpreter and automatic machine processing, with estimates of water depth possible in some cases; (7) RPMI provides direct spectral signature measurements of lakes and lake features such as algal scums and floating plants; (8) a method is reported for obtaining lake color, as estimated by Forel-Ule standards, from ERTS-1 data; (9) a strong correlation between browner water color, diminishing water transparency; and (10) classifying lake eutrophication by observation of surface scums or macrophytes in shallow water seems straightforward.

Assessing Tsunami Vulnerabilities of Geographies with Shallow Water Equations

NASA Technical Reports Server (NTRS)

Aras, Rifat; Shen, Yuzhong

2012-01-01

Tsunami preparedness is crucial for saving human lives in case of disasters that involve massive water movement. In this work, we develop a framework for visual assessment of tsunami preparedness of geographies. Shallow water equations (also called Saint Venant equations) are a set of hyperbolic partial differential equations that are derived by depth-integrating the Navier-Stokes equations and provide a great abstraction of water masses that have lower depths compared to their free surface area. Our specific contribution in this study is to use Microsoft's XNA Game Studio to import underwater and shore line geographies, create different tsunami scenarios, and visualize the propagation of the waves and their impact on the shore line geography. Most importantly, we utilized the computational power of graphical processing units (GPUs) as HLSL based shader files and delegated all of the heavy computations to the GPU. Finally, we also conducted a validation study, in which we have tested our model against a controlled shallow water experiment. We believe that such a framework with an easy to use interface that is based on readily available software libraries, which are widely available and easily distributable, would encourage not only researchers, but also educators to showcase ideas.

Modelling the aqueous and nonaqueous interfaces for CO2 electro-reduction over Sn catalysts

NASA Astrophysics Data System (ADS)

Sheng, Tian; Sun, Shi-Gang

2018-01-01

In CO2 electroreduction, Sn catalysts with a high overpotential for hydrogen evolution reaction and a high selectivity towards formic acid formation are very attractive. Many efforts have been made for improving the catalytic performance and for understanding the mechanisms. In electrochemistry, the role of solvents for surface reactions was deserved to be investigated, in particular for some nonaqueous solvents. Here, we have modeled the aqueous (water) and nonaqueous (acetonitrile and dichloromethane) for investigation of CO2 electroreduction on Sn surface, by constrained ab initio molecular dynamics simulations and thermodynamic integrations, including a number of explicit solvent molecules in computational models. It was found that CO2 reduction is initiated from formate formation and solvents, in particular, water can effectively facilitate the reaction.

Sonochemical characterisation of ultrasonic dental descalers.

PubMed

Price, Gareth J; Tiong, T Joyce; King, David C

2014-11-01

An ultrasonic dental descaling instrument has been characterised using sonochemical techniques. Mapping the emission from luminol solution revealed the distribution of cavitation produced in water around the tips. Hydroxyl radical production rates arising from water sonolysis were measured using terephthalate dosimetry and found to be in the range of μmolmin(-1), comparable with those from a sonochemical horn. Removal of an ink coating from a glass slide showed that cleaning occurred primarily where the tip contacted the surface but was also observed in regions where cavitation occurred even when the tip did not contact the surface. Differences in behaviour were noted between different tip designs and computer simulation of the acoustic pressure distributions using COMSOL showed the reasons behind the different behaviour of the tip designs. Copyright © 2014 Elsevier B.V. All rights reserved.

Simulation of groundwater and surface-water resources and evaluation of water-management alternatives for the Chamokane Creek basin, Stevens County, Washington

USGS Publications Warehouse

Ely, D. Matthew; Kahle, Sue C.

2012-01-01

A three-dimensional, transient numerical model of groundwater and surface-water flow was constructed for Chamokane Creek basin to better understand the groundwater-flow system and its relation to surface-water resources. The model described in this report can be used as a tool by water-management agencies and other stakeholders to quantitatively evaluate the effects of potential increases in groundwater pumping on groundwater and surface-water resources in the basin. The Chamokane Creek model was constructed using the U.S. Geological Survey (USGS) integrated model, GSFLOW. GSFLOW was developed to simulate coupled groundwater and surface-water resources. The model uses 1,000-foot grid cells that subdivide the model domain by 102 rows and 106 columns. Six hydrogeologic units in the model are represented using eight model layers. Daily precipitation and temperature were spatially distributed and subsequent groundwater recharge was computed within GSFLOW. Streamflows in Chamokane Creek and its major tributaries are simulated in the model by routing streamflow within a stream network that is coupled to the groundwater-flow system. Groundwater pumpage and surface-water diversions and returns specified in the model were derived from monthly and annual pumpage values previously estimated from another component of this study and new data reported by study partners. The model simulation period is water years 1980-2010 (October 1, 1979, to September 30, 2010), but the model was calibrated to the transient conditions for water years 1999-2010 (October 1, 1998, to September 30, 2010). Calibration was completed by using traditional trial-and-error methods and automated parameter-estimation techniques. The model adequately reproduces the measured time-series groundwater levels and daily streamflows. At well observation points, the mean difference between simulated and measured hydraulic heads is 7 feet with a root-mean-square error divided by the total difference in water levels of 4.7 percent. Simulated streamflow was compared to measured streamflow at the USGS streamflow-gaging station-Chamokane Creek below Falls, near Long Lake (12433200). Annual differences between measured and simulated streamflow for the site ranged from -63 to 22 percent. Calibrated model output includes a 31-year estimate of monthly water budget components for the hydrologic system. Five model applications (scenarios) were completed to obtain a better understanding of the relation between groundwater pumping and surface-water resources. The calibrated transient model was used to evaluate: (1) the connection between the upper- and middle-basin groundwater systems, (2) the effect of surface-water and groundwater uses in the middle basin, (3) the cumulative impacts of claims registry use and permit-exempt wells on Chamokane Creek streamflow, (4) the frequency of regulation due to impacted streamflow, and (5) the levels of domestic and stockwater use that can be regulated. The simulation results indicated that streamflow is affected by existing groundwater pumping in the upper and middle basins. Simulated water-management scenarios show streamflow increased relative to historical conditions as groundwater and surface-water withdrawals decreased.

AOIPS water resources data management system

NASA Technical Reports Server (NTRS)

Vanwie, P.

1977-01-01

The text and computer-generated displays used to demonstrate the AOIPS (Atmospheric and Oceanographic Information Processing System) water resources data management system are investigated. The system was developed to assist hydrologists in analyzing the physical processes occurring in watersheds. It was designed to alleviate some of the problems encountered while investigating the complex interrelationships of variables such as land-cover type, topography, precipitation, snow melt, surface runoff, evapotranspiration, and streamflow rates. The system has an interactive image processing capability and a color video display to display results as they are obtained.

Structure of colloidosomes with tunable particle density: Simulation versus experiment

NASA Astrophysics Data System (ADS)

Fantoni, Riccardo; Salari, Johannes W. O.; Klumperman, Bert

2012-06-01

Colloidosomes are created in the laboratory from a Pickering emulsion of water droplets in oil. The colloidosomes have approximately the same diameter and by choosing (hairy) particles of different diameters it is possible to control the particle density on the droplets. The experiment is performed at room temperature. The radial distribution function of the assembly of (primary) particles on the water droplet is measured in the laboratory and in a computer experiment of a fluid model of particles with pairwise interactions on the surface of a sphere.

Estimates of Soil Moisture Using the Land Information System for Land Surface Water Storage: Case Study for the Western States Water Mission

NASA Astrophysics Data System (ADS)

Liu, P. W.; Famiglietti, J. S.; Levoe, S.; Reager, J. T., II; David, C. H.; Kumar, S.; Li, B.; Peters-Lidard, C. D.

2017-12-01

Soil moisture is one of the critical factors in terrestrial hydrology. Accurate soil moisture information improves estimation of terrestrial water storage and fluxes, that is essential for water resource management including sustainable groundwater pumping and agricultural irrigation practices. It is particularly important during dry periods when water stress is high. The Western States Water Mission (WSWM), a multiyear mission project of NASA's Jet Propulsion Laboratory, is operated to understand and estimate quantities of the water availability in the western United States by integrating observations and measurements from in-situ and remote sensing sensors, and hydrological models. WSWM data products have been used to assess and explore the adverse impacts of the California drought (2011-2016) and provide decision-makers information for water use planning. Although the observations are often more accurate, simulations using land surface models can provide water availability estimates at desired spatio-temporal scales. The Land Information System (LIS), developed by NASA's Goddard Space Flight Center, integrates developed land surface models and data processing and management tools, that enables to utilize the measurements and observations from various platforms as forcings in the high performance computing environment to forecast the hydrologic conditions. The goal of this study is to implement the LIS in the western United States for estimates of soil moisture. We will implement the NOAH-MP model at the 12km North America Land Data Assimilation System grid and compare to other land surface models included in the LIS. Findings will provide insight into the differences between model estimates and model physics. Outputs from a multi-model ensemble from LIS can also be used to enhance estimated reliability and provide quantification of uncertainty. We will compare the LIS-based soil moisture estimates to the SMAP enhanced 9 km soil moisture product to understand the mechanistic differences between the model and observation. These outcomes will contribute to the WSWM for providing robust products.

Geochemical evolution of acidic ground water at a reclaimed surface coal mine in western Pennsylvania

USGS Publications Warehouse

Cravotta,, Charles A.

1991-01-01

Concentrations of dissolved sulfate and acidity in ground water increase downflow in mine spoil and underlying bedrock at a reclaimed surface coal mine in the bituminous field of western Pennsylvania. Elevated dissolved sulfate and negligible oxygen in ground water from bedrock about 100 feet below the water table suggest that pyritic sulfur is oxidized below the water table, in a system closed to oxygen. Geochemical models for the oxidation of pyrite (FeS2) and production of sulfate (SO42-) and acid (H+) are presented to explain the potential role of oxygen (O2) and ferric iron (Fe3+) as oxidants. Oxidation of pyrite by O2 and Fe3+ can occur under oxic conditions above the water table, whereas oxidation by Fe3+ also can occur under anoxic conditions below the water table. The hydrated ferric-sulfate minerals roemerite [Fe2+Fe43+(SO4)4·14H2O], copiapite [Fe2+Fe43+(SO4)6(OH)2·20H20], and coquimbite [Fe2(SO4)3·9H2O] were identified with FeS2 in coal samples, and form on the oxidizing surface of pyrite in an oxic system above the water table. These soluble ferric-sulfate 11 salts11 can dissolve with recharge waters or a rising water table releasing Fe3+, SO42-. and H+, which can be transported along closed-system ground-water flow paths to pyrite reaction sites where O2 may be absent. The Fe3+ transported to these sites can oxidize pyritic sulfur. The computer programs WATEQ4F and NEWBAL were used to compute chemical speciation and mass transfer, respectively, considering mineral dissolution and precipitation reactions plus mixing of waters from different upflow zones. Alternative mass-balance models indicate that (a) extremely large quantities of O2, over 100 times its aqueous solubility, can generate the observed concentrations of dissolved SO42- from FeS2, or (b) under anoxic conditions, Fe3+ from dissolved ferric-sulfate minerals can oxidize FeS2 along closed-system ground-water flow paths. In a system open to O2, such as in the unsaturated zone, the aqueous solubility of O2 is not limiting, and oxidation of pyrite by O2 and Fe3+ accounts for most SO42- and Fe2+ observed in acidic ground water. However, in a system closed to O2, such as in the saturated zone, O2 solubility is limiting; hence, ferric oxidation of pyrite is a reasonable explanation for the observed elevated SO42- with increasing depth below the water table.

Impinging Water Droplets on Inclined Glass Surfaces

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

Armijo, Kenneth Miguel; Lance, Blake; Ho, Clifford K.

Multiphase computational models and tests of falling water droplets on inclined glass surfaces were developed to investigate the physics of impingement and potential of these droplets to self-clean glass surfaces for photovoltaic modules and heliostats. A multiphase volume-of-fluid model was developed in ANSYS Fluent to simulate the impinging droplets. The simulations considered different droplet sizes (1 mm and 3 mm), tilt angles (0°, 10°, and 45°), droplet velocities (1 m/s and 3 m/s), and wetting characteristics (wetting=47° contact angle and non-wetting = 93° contact angle). Results showed that the spread factor (maximum droplet diameter during impact divided by the initialmore » droplet diameter) decreased with increasing inclination angle due to the reduced normal force on the surface. The hydrophilic surface yielded greater spread factors than the hydrophobic surface in all cases. With regard to impact forces, the greater surface tilt angles yielded lower normal forces, but higher shear forces. Experiments showed that the experimentally observed spread factor (maximum droplet diameter during impact divided by the initial droplet diameter) was significantly larger than the simulated spread factor. Observed spread factors were on the order of 5 - 6 for droplet velocities of ~3 m/s, whereas the simulated spread factors were on the order of 2. Droplets were observed to be mobile following impact only for the cases with 45° tilt angle, which matched the simulations. An interesting phenomenon that was observed was that shortly after being released from the nozzle, the water droplet oscillated (like a trampoline) due to the "snapback" caused by the surface tension of the water droplet being released from the nozzle. This oscillation impacted the velocity immediately after the release. Future work should evaluate the impact of parameters such as tilt angle and surface wettability on the impact of particle/soiling uptake and removal to investigate ways that photovoltaic modules and heliostats can be designed to maximize self-cleaning.« less

An Improved Algorithm for Retrieving Surface Downwelling Longwave Radiation from Satellite Measurements

NASA Technical Reports Server (NTRS)

Zhou, Yaping; Kratz, David P.; Wilber, Anne C.; Gupta, Shashi K.; Cess, Robert D.

2006-01-01

Retrieving surface longwave radiation from space has been a difficult task since the surface downwelling longwave radiation (SDLW) are integrations from radiation emitted by the entire atmosphere, while those emitted from the upper atmosphere are absorbed before reaching the surface. It is particularly problematic when thick clouds are present since thick clouds will virtually block all the longwave radiation from above, while satellites observe atmosphere emissions mostly from above the clouds. Zhou and Cess developed an algorithm for retrieving SDLW based upon detailed studies using radiative transfer model calculations and surface radiometric measurements. Their algorithm linked clear sky SDLW with surface upwelling longwave flux and column precipitable water vapor. For cloudy sky cases, they used cloud liquid water path as an additional parameter to account for the effects of clouds. Despite the simplicity of their algorithm, it performed very well for most geographical regions except for those regions where the atmospheric conditions near the surface tend to be extremely cold and dry. Systematic errors were also found for areas that were covered with ice clouds. An improved version of the algorithm was developed that prevents the large errors in the SDLW at low water vapor amounts. The new algorithm also utilizes cloud fraction and cloud liquid and ice water paths measured from the Cloud and the Earth's Radiant Energy System (CERES) satellites to separately compute the clear and cloudy portions of the fluxes. The new algorithm has been validated against surface measurements at 29 stations around the globe for the Terra and Aqua satellites. The results show significant improvement over the original version. The revised Zhou-Cess algorithm is also slightly better or comparable to more sophisticated algorithms currently implemented in the CERES processing. It will be incorporated in the CERES project as one of the empirical surface radiation algorithms.

LANDSAT data for coastal zone management. [New Jersey

NASA Technical Reports Server (NTRS)

Mckenzie, S.

1981-01-01

The lack of adequate, current data on land and water surface conditions in New Jersey led to the search for better data collections and analysis techniques. Four-channel MSS data of Cape May County and access to the OSER computer interpretation system were provided by NASA. The spectral resolution of the data was tested and a surface cover map was produced by going through the steps of supervised classification. Topics covered include classification; change detection and improvement of spectral and spatial resolution; merging LANDSAT and map data; and potential applications for New Jersey.

Slope-Area Computation Program Graphical User Interface 1.0—A Preprocessing and Postprocessing Tool for Estimating Peak Flood Discharge Using the Slope-Area Method

USGS Publications Warehouse

Bradley, D. Nathan

2012-01-01

The slope-area method is a technique for estimating the peak discharge of a flood after the water has receded (Dalrymple and Benson, 1967). This type of discharge estimate is called an “indirect measurement” because it relies on evidence left behind by the flood, such as high-water marks (HWMs) on trees or buildings. These indicators of flood stage are combined with measurements of the cross-sectional geometry of the stream, estimates of channel roughness, and a mathematical model that balances the total energy of the flow between cross sections. This is in contrast to a “direct” measurement of discharge during the flood where cross-sectional area is measured and a current meter or acoustic equipment is used to measure the water velocity. When a direct discharge measurement cannot be made at a gage during high flows because of logistics or safety reasons, an indirect measurement of a peak discharge is useful for defining the high-flow section of the stage-discharge relation (rating curve) at the stream gage, resulting in more accurate computation of high flows. The Slope-Area Computation program (SAC; Fulford, 1994) is an implementation of the slope-area method that computes a peak-discharge estimate from inputs of water-surface slope (from surveyed HWMs), channel geometry, and estimated channel roughness. SAC is a command line program written in Fortran that reads input data from a formatted text file and prints results to another formatted text file. Preparing the input file can be time-consuming and prone to errors. This document describes the SAC graphical user interface (GUI), a crossplatform “wrapper” application that prepares the SAC input file, executes the program, and helps the user interpret the output. The SAC GUI is an update and enhancement of the slope-area method (SAM; Hortness, 2004; Berenbrock, 1996), an earlier spreadsheet tool used to aid field personnel in the completion of a slope-area measurement. The SAC GUI reads survey data, develops a plan-view plot, water-surface profile, cross-section plots, and develops the SAC input file. The SAC GUI also develops HEC-2 files that can be imported into HEC–RAS.