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Sample records for hydraulic properties electronic

  1. Hydraulic Properties related to Stream Reaeration

    Energy Technology Data Exchange (ETDEWEB)

    Tsivoglou, E. C.; Wallace, J. R. [School of Civil Engineering, Georgia Institute of Technology, Atlanta, GA (United States)

    1970-09-15

    The paper reports the results of recent and current field tracer experiments designed to investigate the relationships between the reaeration capacity of a flowing stream and the stream's hydraulic properties. The purpose of the studies is to develop models for the accurate prediction of stream reaeration capacity on the basis of observation of the associated hydraulic properties. The ability of a flowing stream to absorb oxygen from the overlying atmosphere is the principal process by which the stream is able to recover its dissolved oxygen resources once they have been depleted by bacterial degradation of organic wastes. Accurate knowledge of stream reaeration capacity is therefore a necessity in determining the required degree of waste treatment, and the associated costs, in any specific case. Oxygen absorption can only occur at the air-water interface, hence reaeration is a direct function of the rate of surface water replacement due to turbulent mixing. The latter is not directly observable, and so reaeration capacity has not been observable before the quite recent development of a gaseous radiotracer technique for field measurement of reaeration. This procedure involves the simultaneous use of three tracers, namely a fluorescent dye for time of flow, tritiated water for accurate dispersion measurement, and dissolved krypton-85 for measurement of gas transfer. Field results obtained by this technique are highly reproducible. Field tracer studies of the reaeration capacities of three medium-sized streams have been conducted over a total of about fifty river miles. Associated hydraulic properties such as stream flow, cross-sectional area, depth, velocity, hydraulic gradient and dispersion have also been measured. Features such as waterfalls, rapids and pools are included, and more than eighty observations of the reaeration capacities of individual stream reaches have been made. The paper reports the observed relationships between stream reaeration capacity and

  2. Hydraulic properties related to stream reaeration

    Energy Technology Data Exchange (ETDEWEB)

    Tsivoglou, E C; Wallace, J R [School of Civil Engineering, Georgia Institute of Technology, Atlanta, GA (United States)

    1970-09-15

    The paper reports the results of recent and current field tracer experiments designed to investigate the relationships between the reaeration capacity of a flowing stream and the stream's hydraulic properties. The purpose of the studies is to develop models for the accurate prediction of stream reaeration capacity on the basis of observation of the associated hydraulic properties. The ability of a flowing stream to absorb oxygen from the overlying atmosphere is the principal process by which the stream is able to recover its dissolved oxygen resources once they have been depleted by bacterial degradation of organic wastes. Accurate knowledge of stream reaeration capacity is therefore a necessity in determining the required degree of waste treatment, and the associated costs, in any specific case. Oxygen absorption can only occur at the air-water interface, hence reaeration is a direct function of the rate of surface water replacement due to turbulent mixing. The latter is not directly observable, and so reaeration capacity has not been observable before the quite recent development of a gaseous radiotracer technique for field measurement of reaeration. This procedure involves the simultaneous use of three tracers, namely a fluorescent dye for time of flow, tritiated water for accurate dispersion measurement, and dissolved krypton-85 for measurement of gas transfer. Field results obtained by this technique are highly reproducible. Field tracer studies of the reaeration capacities of three medium-sized streams have been conducted over a total of about fifty river miles. Associated hydraulic properties such as stream flow, cross-sectional area, depth, velocity, hydraulic gradient and dispersion have also been measured. Features such as waterfalls, rapids and pools are included, and more than eighty observations of the reaeration capacities of individual stream reaches have been made. The paper reports the observed relationships between stream reaeration capacity and

  3. Soil hydraulic properties of Cuban soils

    International Nuclear Information System (INIS)

    Ruiz, M.E.; Medina, H.

    2004-01-01

    Because soil hydraulic properties are indispensable for determining soil water retention and soil water movement, their input for deterministic crop simulation models is essential. From these models is possible to access the effect of the weather changes, soil type or different irrigation schedules on crop yields. With these models, possibilities are provided to answer questions regarding virtual 'what happen if' experiments with a minimum of fieldwork. Nevertheless, determining soil hydraulic properties can be very difficult owing to unavailability of necessary equipment or the lack of personal with the proper knowledge for those tasks. These deficiencies are a real problem in developing countries, and even more so when there is not enough financial possibilities for research work. This paper briefly presents the way these properties have been accessed for Cuban soils, which methods have been used and the work now in progress. (author)

  4. Hydraulic properties of fracture networks

    International Nuclear Information System (INIS)

    Dreuzy, J.R. de

    1999-12-01

    Fractured medium are studied in the general framework of oil and water supply and more recently for the underground storage of high level nuclear wastes. As fractures are generally far more permeable than the embedding medium, flow is highly channeled in a complex network of fractures. The complexity of the network comes from the broad distributions of fracture length and permeability at the fracture scale and appears through the increase of the equivalent permeability at the network scale. The goal of this thesis is to develop models of fracture networks consistent with both local-scale and global-scale observations. Bidimensional models of fracture networks display a wide variety of flow structures ranging from the sole permeable fracture to the equivalent homogeneous medium. The type of the relevant structure depends not only on the density and the length and aperture distributions but also on the observation scale. In several models, a crossover scale separates complex structures highly channeled from more distributed and homogeneous-like flow patterns at larger scales. These models, built on local characteristics and validated by global properties, have been settled in steady state. They have also been compared to natural well test data obtained in Ploemeur (Morbihan) in transient state. The good agreement between models and data reinforces the relevance of the models. Once validated and calibrated, the models are used to estimate the global tendencies of the main flow properties and the risk associated with the relative lack of data on natural fractures media. (author)

  5. HYDRAULIC CONCRETE COMPOSITION AND PROPERTIES CONTROL SYSTEM

    Directory of Open Access Journals (Sweden)

    O. M. Pshinko

    2015-08-01

    Full Text Available Purpose. Scientific work aims at the development and testing of information system to meet the challenges of concrete composition design and control (for railway structures and buildings based on the physico-analytical method algorithm for hydraulic concrete composition calculation. Methodology. The proposed algorithm of hydraulic concrete composition calculation is based on the physicochemical mechanics and in particular on the rheology of elastic–viscous–plastic bodies. The system of canonical equations consists of the equations for concrete strength, absolute volume, concrete mix consistency as well as the equation for optimal concrete saturation with aggregates while minimizing cement content. The joint solution of these four equations related to composition allows determining for the materials the concrete composition of required strength, concrete workability with minimum cement content. The procedure for calculation of hydraulic concrete composition according to the physico-analytical method consists of two parts: 1 physical, which is laboratory testing of concrete mix components in different concrete compositions; 2 analytical, which represents the calculation algorithm for concrete compositions equivalent in concrete strength and workability that comply with the specific conditions of concrete placing. Findings. To solve the problem of designing the concrete composition with the desired properties for railway structures and buildings it was proposed to use the information technology in the form of a developed computer program whose algorithm includes the physico-analytical method for hydraulic concrete composition determination. Originality. The developed concrete composition design method takes into account the basic properties of raw materials, concrete mix and concrete, which are pre-determined. The distinctive feature of physico-analytical method is obtaining of a set of equivalent compositions with a certain concrete mix

  6. HYDRAULIC AND PHYSICAL PROPERTIES OF MCU SALTSTONE

    International Nuclear Information System (INIS)

    Dixon, K; Mark Phifer, M

    2008-01-01

    The Saltstone Disposal Facility (SDF), located in the Z-Area of the Savannah River Site (SRS), is used for the disposal of low-level radioactive salt solution. The SDF currently contains two vaults: Vault 1 (6 cells) and Vault 4 (12 cells). Additional disposal cells are currently in the design phase. The individual cells of the saltstone facility are filled with saltstone., Saltstone is produced by mixing the low-level radioactive salt solution, with blast furnace slag, fly ash, and cement or lime to form a dense, micro-porous, monolithic, low-level radioactive waste form. The saltstone is pumped into the disposal cells where it subsequently solidifies. Significant effort has been undertaken to accurately model the movement of water and contaminants through the facility. Key to this effort is an accurate understanding of the hydraulic and physical properties of the solidified saltstone. To date, limited testing has been conducted to characterize the saltstone. The primary focus of this task was to estimate the hydraulic and physical properties of MCU (Modular Caustic Side Solvent Extraction Unit) saltstone relative to two permeating fluids. These fluids included simulated groundwater equilibrated with vault concrete and simulated saltstone pore fluid. Samples of the MCU saltstone were prepared by the Savannah River National Laboratory (SRNL) and allowed to cure for twenty eight days prior to testing. These samples included two three-inch diameter by six inch long mold samples and three one-inch diameter by twelve inch long mold samples

  7. HYDRAULIC AND PHYSICAL PROPERTIES OF MCU SALTSTONE

    Energy Technology Data Exchange (ETDEWEB)

    Dixon, K; Mark Phifer, M

    2008-03-19

    The Saltstone Disposal Facility (SDF), located in the Z-Area of the Savannah River Site (SRS), is used for the disposal of low-level radioactive salt solution. The SDF currently contains two vaults: Vault 1 (6 cells) and Vault 4 (12 cells). Additional disposal cells are currently in the design phase. The individual cells of the saltstone facility are filled with saltstone., Saltstone is produced by mixing the low-level radioactive salt solution, with blast furnace slag, fly ash, and cement or lime to form a dense, micro-porous, monolithic, low-level radioactive waste form. The saltstone is pumped into the disposal cells where it subsequently solidifies. Significant effort has been undertaken to accurately model the movement of water and contaminants through the facility. Key to this effort is an accurate understanding of the hydraulic and physical properties of the solidified saltstone. To date, limited testing has been conducted to characterize the saltstone. The primary focus of this task was to estimate the hydraulic and physical properties of MCU (Modular Caustic Side Solvent Extraction Unit) saltstone relative to two permeating fluids. These fluids included simulated groundwater equilibrated with vault concrete and simulated saltstone pore fluid. Samples of the MCU saltstone were prepared by the Savannah River National Laboratory (SRNL) and allowed to cure for twenty eight days prior to testing. These samples included two three-inch diameter by six inch long mold samples and three one-inch diameter by twelve inch long mold samples.

  8. Hydraulic concrete composition and properties control system

    OpenAIRE

    PSHINKO O.M.; KRASNYUK A.V.; HROMOVA O.V.

    2015-01-01

    Purpose. Scientific work aims at the development and testing of information system to meet the challenges of concrete composition design and control (for railway structures and buildings) based on the physico-analytical method algorithm for hydraulic concrete composition calculation. Methodology. The proposed algorithm of hydraulic concrete composition calculation is based on the physicochemical mechanics and in particular on the rheology of elastic–viscous–plastic bodies. The system of canon...

  9. Relations between soil hydraulic properties and burn severity

    NARCIS (Netherlands)

    Moody, J.A.; Ebel, B.A.; Stoof, C.R.; Nyman, P.; Martin, D.A.; McKinley, R.

    2016-01-01

    Wildfire can affect soil hydraulic properties, often resulting in reduced infiltration. The magnitude of change in infiltration varies depending on the burn severity. Quantitative approaches to link burn severity with changes in infiltration are lacking. This study uses controlled laboratory

  10. Effects of model layer simplification using composite hydraulic properties

    Science.gov (United States)

    Kuniansky, Eve L.; Sepulveda, Nicasio; Elango, Lakshmanan

    2011-01-01

    Groundwater provides much of the fresh drinking water to more than 1.5 billion people in the world (Clarke et al., 1996) and in the United States more that 50 percent of citizens rely on groundwater for drinking water (Solley et al., 1998). As aquifer systems are developed for water supply, the hydrologic system is changed. Water pumped from the aquifer system initially can come from some combination of inducing more recharge, water permanently removed from storage, and decreased groundwater discharge. Once a new equilibrium is achieved, all of the pumpage must come from induced recharge and decreased discharge (Alley et al., 1999). Further development of groundwater resources may result in reductions of surface water runoff and base flows. Competing demands for groundwater resources require good management. Adequate data to characterize the aquifers and confining units of the system, like hydrologic boundaries, groundwater levels, streamflow, and groundwater pumping and climatic data for recharge estimation are to be collected in order to quantify the effects of groundwater withdrawals on wetlands, streams, and lakes. Once collected, three-dimensional (3D) groundwater flow models can be developed and calibrated and used as a tool for groundwater management. The main hydraulic parameters that comprise a regional or subregional model of an aquifer system are the hydraulic conductivity and storage properties of the aquifers and confining units (hydrogeologic units) that confine the system. Many 3D groundwater flow models used to help assess groundwater/surface-water interactions require calculating ?effective? or composite hydraulic properties of multilayered lithologic units within a hydrogeologic unit. The calculation of composite hydraulic properties stems from the need to characterize groundwater flow using coarse model layering in order to reduce simulation times while still representing the flow through the system accurately. The accuracy of flow models with

  11. Determination of hydraulic properties of unsaturated soil via inverse modeling

    International Nuclear Information System (INIS)

    Kodesova, R.

    2004-01-01

    The method for determining the hydraulic properties of unsaturated soil with inverse modeling is presented. A modified cone penetrometer has been designed to inject water into the soil through a screen, and measure the progress of the wetting front with two tensiometer rings positioned above the screen. Cumulative inflow and pressure head readings are analyzed to obtain estimates of the hydraulic parameters describing K(h) and θ(h). Optimization results for tests at one side are used to demonstrate the possibility to evaluate either the wetting branches of the soil hydraulic properties, or the wetting and drying curves simultaneously, via analysis of different parts of the experiment. The optimization results are compared to the results of standard laboratory and field methods. (author)

  12. A selection of sensing techniques for mapping soil hydraulic properties

    NARCIS (Netherlands)

    Knotters, M.; Egmond, van F.M.; Bakker, G.; Walvoort, D.J.J.; Brouwer, F.

    2017-01-01

    Data on soil hydraulic properties are needed as input for many models, such as models to predict unsaturated water movement and crop growth, and models to predict leaching of nutrients and pesticides to groundwater. The soil physics database of the Netherlands shows several lacunae, and a

  13. Hydraulic properties from pumping tests data of aquifers in Azare ...

    African Journals Online (AJOL)

    Pumping test data from twelve boreholes in Azare area were analysed to determine the hydraulic properties of the aquifers, and the availability of water to meet the conjugate demands of the increasing population. The values of the aquifer constants obtained from the Cooper-Jacob's non-equilibrium graphical method were ...

  14. Compatibility between Hydraulic and Mechanical Properties of Ceramic Water Filters

    Directory of Open Access Journals (Sweden)

    Riyadh Z. Al Zubaidy

    2017-05-01

    Full Text Available In this paper, ceramic water filters were produced by using ten mixtures of different ratios of red clay and sawdust under different production conditions. The physical properties of these filters were tested. The production conditions include five press pressures ranged from 10 to 50MPa and a firing schedule having three different final temperatures of 1000, 1070, and 1100˚C. The tests results of the physical properties were used to obtain best compatibility between the hydraulic and the mechanical properties of these filters. Results showed that as the press pressure and the firing temperature are increased, the bulk density and the compressive and bending strengths of the produced filters are increased, while, the porosity and absorption are decreased. As the sawdust content is increased the bulk density and the compressive and bending strengths are decreased, while, the porosity and absorption are increased. High hydraulic conductivity is obtained at a firing temperature of 1070˚C when the sawdust content is less than 10%. Otherwise, it is increased as sawdust content and the firing temperature are increased. Filters made of mixture 92.5% red clay and 7.5% sawdust formed . under a press pressure of 20MPa and a firing temperature of 1070˚C gave the best compatibility between hydraulic and mechanical properties. In this case, the hydraulic conductivity was 50mm/day, the compressive strength was 14MPa, and the bending strength was 10.8MPa.

  15. HYDRAULIC AND PHYSICAL PROPERTIES OF SALTSTONE GROUTS AND VAULT CONCRETES

    International Nuclear Information System (INIS)

    Dixon, K.; Harbour, J.; Phifer, M.

    2008-01-01

    The Saltstone Disposal Facility (SDF), located in the Z-Area of the Savannah River Site (SRS), is used for the disposal of low-level radioactive salt solution. The SDF currently contains two vaults: Vault 1 (6 cells) and Vault 4 (12 cells). Additional disposal cells are currently in the design phase. The individual cells of the saltstone facility are filled with saltstone. Saltstone is produced by mixing the low-level radioactive salt solution, with blast furnace slag, fly ash, and cement (dry premix) to form a dense, micro-porous, monolithic, low-level radioactive waste form. The saltstone is pumped into the disposal cells where it subsequently solidifies. Significant effort has been undertaken to accurately model the movement of water and contaminants through the facility. Key to this effort is an accurate understanding of the hydraulic and physical properties of the solidified saltstone. To date, limited testing has been conducted to characterize the saltstone. The primary focus of this task was to estimate the hydraulic and physical properties of three types of saltstone and two vault concretes. The saltstone formulations included saltstone premix batched with (1) Deliquification, Dissolution, and Adjustment (DDA) salt simulant (w/pm 0.60), (2) Actinide Removal Process (ARP)/Modular Caustic Side Solvent Extraction Unit (MCU) salt simulant (w/pm 0.60), and (3) Salt Waste Processing Facility (SWPF) salt simulant (w/pm 0.60). The vault concrete formulations tested included the Vault 1/4 concrete and two variations of the Vault 2 concrete (Mix 1 and Mix 2). Wet properties measured for the saltstone formulations included yield stress, plastic viscosity, wet unit weight, bleed water volume, gel time, set time, and heat of hydration. Hydraulic and physical properties measured on the cured saltstone and concrete samples included saturated hydraulic conductivity, moisture retention, compressive strength, porosity, particle density, and dry bulk density. These properties

  16. Electronic transport properties

    International Nuclear Information System (INIS)

    Young, W.H.

    1985-01-01

    The theory of the electron transport properties of liquid alkali metals is described. Conductivity coefficients, Boltzmann theory, Ziman theory, alkali form factors, Ziman theory and alkalis, Faber-Ziman alloy theory, Faber-Ziman theory and alkali-alkali methods, status of Ziman theory, and other transport properties, are all discussed. (UK)

  17. Pedotransfer functions estimating soil hydraulic properties using different soil parameters

    DEFF Research Database (Denmark)

    Børgesen, Christen Duus; Iversen, Bo Vangsø; Jacobsen, Ole Hørbye

    2008-01-01

    Estimates of soil hydraulic properties using pedotransfer functions (PTF) are useful in many studies such as hydrochemical modelling and soil mapping. The objective of this study was to calibrate and test parametric PTFs that predict soil water retention and unsaturated hydraulic conductivity...... parameters. The PTFs are based on neural networks and the Bootstrap method using different sets of predictors and predict the van Genuchten/Mualem parameters. A Danish soil data set (152 horizons) dominated by sandy and sandy loamy soils was used in the development of PTFs to predict the Mualem hydraulic...... conductivity parameters. A larger data set (1618 horizons) with a broader textural range was used in the development of PTFs to predict the van Genuchten parameters. The PTFs using either three or seven textural classes combined with soil organic mater and bulk density gave the most reliable predictions...

  18. Variation of Desert Soil Hydraulic Properties with Pedogenic Maturity

    Science.gov (United States)

    Nimmo, J. R.; Perkins, K. S.; Mirus, B. B.; Schmidt, K. M.; Miller, D. M.; Stock, J. D.; Singha, K.

    2006-12-01

    Older alluvial desert soils exhibit greater pedogenic maturity, having more distinct desert pavements, vesicular (Av) horizons, and more pronounced stratification from processes such as illuviation and salt accumulation. These and related effects strongly influence the soil hydraulic properties. Older soils have been observed to have lower saturated hydraulic conductivity, and possibly greater capacity to retain water, but the quantitative effect of specific pedogenic features on the soil water retention or unsaturated hydraulic conductivity (K) curves is poorly known. With field infiltration/redistribution experiments on three different-aged soils developed within alluvial wash deposits in the Mojave National Preserve, we evaluated effective hydraulic properties over a scale of several m horizontally and to 1.5 m depth. We then correlated these properties with pedogenic features. The selected soils are (1) recently deposited sediments, (2) a soil of early Holocene age, and (3) a highly developed soil of late Pleistocene age. In each experiment we ponded water in a 1-m-diameter infiltration ring for 2.3 hr. For several weeks we monitored subsurface water content and matric pressure using surface electrical resistance imaging, dielectric-constant probes, heat-dissipation probes, and tensiometers. Analysis of these data using an inverse modeling technique gives the water retention and K properties needed for predictive modeling. Some properties show a consistent trend with soil age. Progressively more developed surface and near-surface features such as desert pavement and Av horizons are the likely cause of an observed consistent decline of infiltration capacity with soil age. Other properties, such as vertical flow retardation by layer contrasts, appear to have a more complicated soil-age dependence. The wash deposits display distinct depositional layering that has a retarding effect on vertical flow, an effect that may be less pronounced in the older Holocene soil

  19. Modeling multidomain hydraulic properties of shrink-swell soils

    Science.gov (United States)

    Stewart, Ryan D.; Abou Najm, Majdi R.; Rupp, David E.; Selker, John S.

    2016-10-01

    Shrink-swell soils crack and become compacted as they dry, changing properties such as bulk density and hydraulic conductivity. Multidomain models divide soil into independent realms that allow soil cracks to be incorporated into classical flow and transport models. Incongruously, most applications of multidomain models assume that the porosity distributions, bulk density, and effective saturated hydraulic conductivity of the soil are constant. This study builds on a recently derived soil shrinkage model to develop a new multidomain, dual-permeability model that can accurately predict variations in soil hydraulic properties due to dynamic changes in crack size and connectivity. The model only requires estimates of soil gravimetric water content and a minimal set of parameters, all of which can be determined using laboratory and/or field measurements. We apply the model to eight clayey soils, and demonstrate its ability to quantify variations in volumetric water content (as can be determined during measurement of a soil water characteristic curve) and transient saturated hydraulic conductivity, Ks (as can be measured using infiltration tests). The proposed model is able to capture observed variations in Ks of one to more than two orders of magnitude. In contrast, other dual-permeability models assume that Ks is constant, resulting in the potential for large error when predicting water movement through shrink-swell soils. Overall, the multidomain model presented here successfully quantifies fluctuations in the hydraulic properties of shrink-swell soil matrices, and are suitable for use in physical flow and transport models based on Darcy's Law, the Richards Equation, and the advection-dispersion equation.

  20. Experimental Determination of Hydraulic Properties of Unsaturated Calcarenites

    Science.gov (United States)

    Turturro, Antonietta Celeste; Andriani, Gioacchino Francesco; Clementina Caputo, Maria; Maggi, Sabino

    2013-04-01

    Understanding hydraulic properties is essential in the modeling of flow and solute transport through the vadose zone, to which problems of soil and groundwater pollution are related. The vadose zone, in fact, is of great importance in controlling groundwater recharge and transport of contaminants into and through the subsoil. The aim of this work is to determine experimentally in laboratory the hydraulic properties of unsaturated calcarenites using an approach including petrophysical determinations and methods for measuring water retention. For this purpose, samples of calcarenites belonging to the Calcarenite di Gravina Fm.(Pliocene-early Pleistocene), came from two different quarry districts located in Southern Italy (Canosa di Puglia and Massafra), were utilized. The water retention function, θ(h), which binds the water content, θ, to water potential, h, was determined in the laboratory by means two different experimental methods: the WP4-T psychrometer and the suction table. At last, a simple mathematical equation represented by van Genuchten's model is fitted to the experimental data and the unknown empirical parameters of this model are determined. Textural analysis on thin sections using optical petrographic microscopy and evaluation of total and effective porosity by means of standard geotechnical laboratory tests, mercury intrusion porosimetry and image analysis were also performed. In particular, a comparison between mercury porosimetry data and results of photomicrograph computer analysis through the methods of quantitative stereology was employed for providing pore size distributions. The results of this study identify the relationship between the hydraulic behavior, described by the water retention function, and pore size distribution for the calcarenites that are not easy to hydraulically characterize. This relationship could represent a useful tool to infer the unsaturated hydraulic properties of calcarenites and in general this approach could be

  1. Unsaturated hydraulic property of buffer material

    International Nuclear Information System (INIS)

    Suzuki, Hideaki; Fujita, Tomoo

    1999-09-01

    After emplacement of the engineered barrier system (EBS), it is expected that the near-field environment will be impacted by phenomena such as heat dissipation by conduction and other heat transfer mechanism, infiltration of groundwater from the surrounding rock into the EBS, generation of swelling pressure in the buffer due to water infiltration and the stress imposed by the overburden pressure. These phenomena are not all independent, but can be strongly influenced by, and coupled with, each other. Evaluating these coupled thermo-hydro-mechanical phenomena is important in order to clarify the initial transient behavior of the engineered barrier system within the near-field. This report describes the results on measurement of chemical potential, water diffusivity, and thermal water diffusivity of bentonite that is considered as a candidate material of buffer and on comparison between measurements and theoretical studies for these properties. The following results are identified; (l) The hysteresis of chemical potential in wet and dry conditions for compacted bentonite is not shown clearly. The chemical potential depends on temperature and amount of montmorillonite. When chemical potential of compacted bentonite is zero, the specimen is saturated. The van Genuchten model is applicable to the measured chemical potential of compacted bentonite. (2) The Darcy's law and Philip and de Vries model are applicable to the measured water diffusivity and thermal water diffusivity of compacted bentonite. (author)

  2. Effect of physical property of supporting media and variable hydraulic loading on hydraulic characteristics of advanced onsite wastewater treatment system.

    Science.gov (United States)

    Sharma, Meena Kumari; Kazmi, Absar Ahmad

    2015-01-01

    A laboratory-scale study was carried out to investigate the effects of physical properties of the supporting media and variable hydraulic shock loads on the hydraulic characteristics of an advanced onsite wastewater treatment system. The system consisted of two upflow anaerobic reactors (a septic tank and an anaerobic filter) accommodated within a single unit. The study was divided into three phases on the basis of three different supporting media (Aqwise carriers, corrugated ring and baked clay) used in the anaerobic filter. Hydraulic loadings were based on peak flow factor (PFF), varying from one to six, to simulate the actual conditions during onsite wastewater treatment. Hydraulic characteristics of the system were identified on the basis of residence time distribution analyses. The system showed a very good hydraulic efficiency, between 0.86 and 0.93, with the media of highest porosity at the hydraulic loading of PFF≤4. At the higher hydraulic loading of PFF 6 also, an appreciable hydraulic efficiency of 0.74 was observed. The system also showed good chemical oxygen demand and total suspended solids removal efficiency of 80.5% and 82.3%, respectively at the higher hydraulic loading of PFF 6. Plug-flow dispersion model was found to be the most appropriate one to describe the mixing pattern of the system, with different supporting media at variable loading, during the tracer study.

  3. Novel evaporation experiment to determine soil hydraulic properties

    Directory of Open Access Journals (Sweden)

    K. Schneider

    2006-01-01

    Full Text Available A novel experimental approach to determine soil hydraulic material properties for the dry and very dry range is presented. Evaporation from the surface of a soil column is controlled by a constant flux of preconditioned air and the resulting vapour flux is measured by infrared absorption spectroscopy. The data are inverted under the assumptions that (i the simultaneous movement of water in the liquid and vapour is represented by Richards' equation with an effective hydraulic conductivity and that (ii the coupling between the soil and the well-mixed atmosphere can be modelled by a boundary layer with a constant transfer resistance. The optimised model fits the data exceptionally well. Remaining deviations during the initial phase of an experiment are thought to be well-understood and are attributed to the onset of the heat flow through the column which compensates the latent heat of evaporation.

  4. Hydrology and Hydraulic Properties of a Bedded Evaporite Formation

    International Nuclear Information System (INIS)

    BEAUHEIM, RICHARD L.; ROBERTS, RANDALL M.

    2000-01-01

    The Permian Salado Formation in the Delaware Basin of New Mexico is an extensively studied evaporite deposit because it is the host formation for the Waste Isolation Pilot Plant, a repository for transuranic wastes. Geologic and hydrologic studies of the Salado conducted since the mid-1970's have led to the development of a conceptual model of the hydrogeology of the formation that involves far-field permeability in anhydrite layers and at least some impure halite layers. Pure halite layers and some impure halite layers may not possess an interconnected pore network adequate to provide permeability. Pore pressures are probably very close to lithostatic pressure. In the near field around an excavation, dilation, creep, and shear have created and/or enhanced permeability and decreased pore pressure. Whether flow occurs in the far field under natural gradients or only after some threshold gradient is reached is unknown. If far-field flow does occur, mean pore velocities are probably on the order of a meter per hundreds of thousands to tens of millions of years. Flow dimensions inferred from most hydraulic-test responses are subradial, which is believed to reflect channeling of flow through fracture networks, or portions of fractures, that occupy a diminishing proportion of the radially available space, or through percolation networks that are not ''saturated'' (fully interconnected). This is probably related to the directional nature of the permeability created or enhanced by excavation effects. Inferred values of permeability cannot be separated from their associated flow dimensions. Therefore, numerical models of flow and transport should include heterogeneity that is structured to provide the same flow dimensions as are observed in hydraulic tests. Modeling of the Salado Formation around the WIPP repository should also include coupling between hydraulic properties and the evolving stress field because hydraulic properties change as the stress field changes

  5. Effects of biochars on hydraulic properties of clayey soil

    Science.gov (United States)

    Zhen, Jingbo; Palladino, Mario; Lazarovitch, Naftali; Bonanomi, Giuliano; Battista Chirico, Giovanni

    2017-04-01

    Biochar has gained popularity as an amendment to improve soil hydraulic properties. Since biochar properties depend on feedstocks and pyrolysis temperatures used for its production, proper selection of biochar type as soil amendment is of great importance for soil hydraulic properties improvement. This study investigated the effects of eight types of biochar on physical and hydraulic properties of clayey soil. Biochars were derived from four different feedstocks (Alfalfa hay, municipal organic waste, corn residues and wood chip) pyrolyzed at two different temperatures (300 and 550 °C). Clayey soil samples were taken from Leone farm (40° 26' 15.31" N, 14° 59' 45.54" E), Italy, and were oven-dried at 105 °C to determine dry bulk density. Biochars were mixed with the clayey soil at 5% by mass. Bulk densities of the mixtures were also determined. Saturated hydraulic conductivities (Ks) of the original clayey soil and corresponding mixtures were measured by means of falling-head method. Soil water retention measurements were conducted for clayey soil and mixtures using suction table apparatus and Richards' plate with the pressure head (h) up to 12000 cm. van Genuchten retention function was selected to evaluate the retention characteristics of clayey soil and mixtures. Available water content (AWC) was calculated by field capacity (h = - 500 cm) minus wilting pointing (h = -12000 cm). The results showed that biochar addition decreased the bulk density of clayey soil. The Ks of clayey soil increased due to the incorporation of biochars except for waste and corn biochars pyrolyzed at 550 °C. AWC of soils mixed with corn biochar pyrolyzed at 300 °C and wood biochar pyrolyzed at 550 °C, increased by 31% and 7%, respectively. Further analysis will be conducted in combination of biochar properties such as specific surface area and total pore volume. Better understanding of biochar impact on clayey soil will be helpful in biochar selection for soil amendment and

  6. Spatial Bias in Field-Estimated Unsaturated Hydraulic Properties

    Energy Technology Data Exchange (ETDEWEB)

    HOLT,ROBERT M.; WILSON,JOHN L.; GLASS JR.,ROBERT J.

    2000-12-21

    Hydraulic property measurements often rely on non-linear inversion models whose errors vary between samples. In non-linear physical measurement systems, bias can be directly quantified and removed using calibration standards. In hydrologic systems, field calibration is often infeasible and bias must be quantified indirectly. We use a Monte Carlo error analysis to indirectly quantify spatial bias in the saturated hydraulic conductivity, K{sub s}, and the exponential relative permeability parameter, {alpha}, estimated using a tension infiltrometer. Two types of observation error are considered, along with one inversion-model error resulting from poor contact between the instrument and the medium. Estimates of spatial statistics, including the mean, variance, and variogram-model parameters, show significant bias across a parameter space representative of poorly- to well-sorted silty sand to very coarse sand. When only observation errors are present, spatial statistics for both parameters are best estimated in materials with high hydraulic conductivity, like very coarse sand. When simple contact errors are included, the nature of the bias changes dramatically. Spatial statistics are poorly estimated, even in highly conductive materials. Conditions that permit accurate estimation of the statistics for one of the parameters prevent accurate estimation for the other; accurate regions for the two parameters do not overlap in parameter space. False cross-correlation between estimated parameters is created because estimates of K{sub s} also depend on estimates of {alpha} and both parameters are estimated from the same data.

  7. The electronic encapsulation of knowledge in hydraulics, hydrology and water resources

    Science.gov (United States)

    Abbott, Michael B.

    The rapidly developing practice of encapsulating knowledge in electronic media is shown to lead necessarily to the restructuring of the knowledge itself. The consequences of this for hydraulics, hydrology and more general water-resources management are investigated in particular relation to current process-simulation, real-time control and advice-serving systems. The generic properties of the electronic knowledge encapsulator are described, and attention is drawn to the manner in which knowledge 'goes into hiding' through encapsulation. This property is traced in the simple situations of pure mathesis and in the more complex situations of taxinomia using one example each from hydraulics and hydrology. The consequences for systems architectures are explained, pointing to the need for multi-agent architectures for ecological modelling and for more general hydroinformatics systems also. The relevance of these developments is indicated by reference to ongoing projects in which they are currently being realised. In conclusion, some more general epistemological aspects are considered within the same context. As this contribution is so much concerned with the processes of signification and communication, it has been partly shaped by the theory of semiotics, as popularised by Eco ( A Theory of Semiotics, Indiana University, Bloomington, 1977).

  8. Predicting saturated hydraulic conductivity using soil morphological properties

    Directory of Open Access Journals (Sweden)

    Gülay Karahan

    2016-01-01

    Full Text Available Many studies have been conducted to predict soil saturated hydraulic conductivity (Ks by parametric soil properties such as bulk density and particle-size distribution. Although soil morphological properties have a strong effect on Ks, studies predicting Ks by soil morphological properties such as type, size, and strength of soil structure; type, orientation and quantity of soil pores and roots and consistency are rare. This study aimed at evaluating soil morphological properties to predict Ks. Undisturbed soil samples (15 cm length and 8.0 cm id. were collected from topsoil (0-15 cm and subsoil (15-30 cm (120 samples with a tractor operated soil sampler at sixty randomly selected sampling sites on a paddy field and an adjecent grassland in Central Anatolia (Cankırı, Turkey. Synchronized disturbed soil samples were taken from the same sampling sites and sampling depths for basic soil analyses. Saturated hydraulic conductivity was measured on the soil columns using a constant-head permeameter. Following the Ks measurements, the upper part of soil columns were covered to prevent evaporation and colums were left to drain in the laboratory. When the water flow through the column was stopped, a subsample were taken for bulk density and then soil columns were disturbed for describing the soil morphological properties. In addition, soil texture, bulk density, pH, field capacity, wilting point, cation exchange capacity, specific surface area, aggregate stability, organic matter, and calcium carbonate were measured on the synchronized disturbed soil samples. The data were divided into training (80 data values and validation (40 data values sets. Measured values of Ks ranged from 0.0036 to 2.14 cmh-1 with a mean of 0.86 cmh-1. The Ks was predicted from the soil morphological and parametric properties by stepwise multiple linear regression analysis. Soil structure class, stickiness, pore-size, root-size, and pore-quantity contributed to the Ks prediction

  9. Effect of polyacrylamide on soil physical and hydraulic properties

    Science.gov (United States)

    Albalasmeh, Ammar; Gharaibeh, Mamoun; Hamdan, Enas

    2017-04-01

    The effect of polyacrylamide (PAM), as a soil conditioner, on selected soil physical and hydraulic properties (infiltration rate (f(t)), hydraulic conductivity (HC), soil moisture content, aggregate stability (AS), and soil aggregation) was studied. Two types of anionic PAM were used: Low molecular weight (LPAM) (1×105 g/mol) with medium charge density (33-43) and high molecular weight (HPAM) (1-6×106 g/mol) with medium charge density (33-43). Sandy loam soil was packed into plastic columns; PAM solutions at different concentrations (100, 250, 500, and 1000 mg L-1) were used every two weeks in four wetting and drying cycles. The highest infiltration rate value was 0.16 mm s-1 at 1000 mg/L low molecular weight PAM while the highest value of infiltration rate in high PAM molecular weight was 0.11 mm s-1 compared to the control (0.01 mm s-1). Soil HC was about 3.00 cm h-1 for LPAM at 1000 mg L-1 PAM, while the highest value for HPAM was about 2 cm h-1 for the same concentration, compared to the control. The amount of water that can be held by soil increased with the addition of PAM compared to the control. Differences in water content were more pronounced in LPAM compared to HPAM. The addition of LPAM increased aggregate stability proportional to PAM concentration. Moreover, 1000 mg L-1 produced the highest aggregate stability (19{%}) compared to HPAM and control (7{%} and 5{%}), respectively. As PAM concentration increased, the geometric mean diameter (GMD) increased for both PAM molecular weights compared to control (0.4 mm). At 1000 mg L-1 the GMD values were 0.88 mm and 0.79 mm for LPAM and HPAM, respectively. The addition of PAM improved soil physical and hydraulic properties, with an advantage to LPAM owing that to its ability to penetrate soil aggregates and therefore stabilizing them.

  10. Electronic properties of fullerenes

    Energy Technology Data Exchange (ETDEWEB)

    Kuzmany, H [ed.; Vienna Univ. (Austria). Inst. fuer Festkoerperphysik; Fink, J [ed.; Kernforschungszentrum Karlsruhe GmbH (Germany). Inst. fuer Nukleare Festkoerperphysik; Mehring, M [ed.; Stuttgart Univ. (Germany). Physikalisches Teilinstitut 2; Roth, S [ed.; Max-Planck-Institut fuer Festkoerperforschung, Stuttgart (Germany)

    1993-01-01

    Since 1991, research in the field of organic carbon materials has developed at a rapid pace due to the advent of the fullerenes and related materials. These forms of carbon are considered as a missing link between the previously discussed electroactive polymers and the oxidic superconductors. It was therefore challenging to select this topic for an international winter school in Kirchberg. Although still in its infancy, research on the physics and chemistry of fullerenes and related compounds has already led to a wealth of results, which was reflected in the wide range of topics covered and the numerous discussions which emerged at the meeting. For C[sub 60] itself, preparation methods and crystal growth techniques continue to evolve, while the understanding of the electronic and structural properties of its solid state continues to pose challenges to experimental and theoretical physicists. The ever-expanding range of higher fullerens and related materials, such as nanotubes and onions, poses a daunting but exciting task for researchers. For synthetic chemists, fullerenes represent the basis of a whole new range of synthetic compounds. The prospect of a periodic table of endohedral fullerene complexes has been discussed, and exohedrally complexed metal-fullerenes have already attracted the attention of physicists. The first endohedral materials are now available. (orig.)

  11. Electronic properties of fullerenes

    International Nuclear Information System (INIS)

    Kuzmany, H.

    1993-01-01

    Since 1991, research in the field of organic carbon materials has developed at a rapid pace due to the advent of the fullerenes and related materials. These forms of carbon are considered as a missing link between the previously discussed electroactive polymers and the oxidic superconductors. It was therefore challenging to select this topic for an international winter school in Kirchberg. Although still in its infancy, research on the physics and chemistry of fullerenes and related compounds has already led to a wealth of results, which was reflected in the wide range of topics covered and the numerous discussions which emerged at the meeting. For C 60 itself, preparation methods and crystal growth techniques continue to evolve, while the understanding of the electronic and structural properties of its solid state continues to pose challenges to experimental and theoretical physicists. The ever-expanding range of higher fullerens and related materials, such as nanotubes and onions, poses a daunting but exciting task for researchers. For synthetic chemists, fullerenes represent the basis of a whole new range of synthetic compounds. The prospect of a periodic table of endohedral fullerene complexes has been discussed, and exohedrally complexed metal-fullerenes have already attracted the attention of physicists. The first endohedral materials are now available. (orig.)

  12. Study on the Tribological Properties of MC Nylon Composites Filled with Hydraulic Oil

    Science.gov (United States)

    Yuan, S.; Li, Y.; Wen, J.; Yin, L.; Zhang, Q.

    2018-03-01

    Mechanical parts utilized in machinery, such as nylon slider and pulley, should have certain mechanical properties and good tribological properties, so that equipments’ stability and smoothness can be assured. A kind of MC nylon (monomer cast nylon) composites filled with hydraulic oil was studied in this paper. The addition of hydraulic oil changed nylon’s mechanical properties and tribological properties significantly, and improved the material’s toughness and coefficient of friction. The composites have excellent strength, toughness and relatively low coefficient of friction when the content of the hydraulic oil is 4wt%.

  13. Trade-offs between xylem hydraulic properties, wood anatomy and yield in Populus.

    Science.gov (United States)

    Hajek, Peter; Leuschner, Christoph; Hertel, Dietrich; Delzon, Sylvain; Schuldt, Bernhard

    2014-07-01

    Trees face the dilemma that achieving high plant productivity is accompanied by a risk of drought-induced hydraulic failure due to a trade-off in the trees' vascular system between hydraulic efficiency and safety. By investigating the xylem anatomy of branches and coarse roots, and measuring branch axial hydraulic conductivity and vulnerability to cavitation in 4-year-old field-grown aspen plants of five demes (Populus tremula L. and Populus tremuloides Michx.) differing in growth rate, we tested the hypotheses that (i) demes differ in wood anatomical and hydraulic properties, (ii) hydraulic efficiency and safety are related to xylem anatomical traits, and (iii) aboveground productivity and hydraulic efficiency are negatively correlated to cavitation resistance. Significant deme differences existed in seven of the nine investigated branch-related anatomical and hydraulic traits but only in one of the four coarse-root-related anatomical traits; this likely is a consequence of high intra-plant variation in root morphology and the occurrence of a few 'high-conductivity roots'. Growth rate was positively related to branch hydraulic efficiency (xylem-specific conductivity) but not to cavitation resistance; this indicates that no marked trade-off exists between cavitation resistance and growth. Both branch hydraulic safety and hydraulic efficiency significantly depended on vessel size and were related to the genetic distance between the demes, while the xylem pressure causing 88% loss of hydraulic conductivity (P88 value) was more closely related to hydraulic efficiency than the commonly used P50 value. Deme-specific variation in the pit membrane structure may explain why vessel size was not directly linked to growth rate. We conclude that branch hydraulic efficiency is an important growth-influencing trait in aspen, while the assumed trade-off between productivity and hydraulic safety is weak. © The Author 2014. Published by Oxford University Press. All rights reserved

  14. Environmental and management influences on temporal variability of near saturated soil hydraulic properties.

    Science.gov (United States)

    Bodner, G; Scholl, P; Loiskandl, W; Kaul, H-P

    2013-08-01

    Structural porosity is a decisive property for soil productivity and soil environmental functions. Hydraulic properties in the structural range vary over time in response to management and environmental influences. Although this is widely recognized, there are few field studies that determine dominant driving forces underlying hydraulic property dynamics. During a three year field experiment we measured temporal variability of soil hydraulic properties by tension infiltrometry. Soil properties were characterized by hydraulic conductivity, effective macroporosity and Kosugi's lognormal pore size distribution model. Management related influences comprised three soil cover treatment (mustard and rye vs. fallow) and an initial mechanical soil disturbance with a rotary harrow. Environmental driving forces were derived from meteorological and soil moisture data. Soil hydraulic parameters varied over time by around one order of magnitude. The coefficient of variation of soil hydraulic conductivity K(h) decreased from 69.5% at saturation to 42.1% in the more unsaturated range (- 10 cm pressure head). A slight increase in the Kosugi parameter showing pore heterogeneity was observed under the rye cover crop, reflecting an enhanced structural porosity. The other hydraulic parameters were not significantly influenced by the soil cover treatments. Seedbed preparation with a rotary harrow resulted in a fourfold increase in macroporosity and hydraulic conductivity next to saturation, and homogenized the pore radius distribution. Re-consolidation after mechanical loosening lasted over 18 months until the soil returned to its initial state. The post-tillage trend of soil settlement could be approximated by an exponential decay function. Among environmental factors, wetting-drying cycles were identified as dominant driving force explaining short term hydraulic property changes within the season (r 2  = 0.43 to 0.59). Our results suggested that beside considering average

  15. A Catalog of Vadose Zone Hydraulic Properties for the Hanford Site

    Energy Technology Data Exchange (ETDEWEB)

    Freeman, Eugene J.; Khaleel, Raziuddin; Heller, Paula R.

    2002-09-30

    To predict contaminant release to the groundwater, it is necessary to understand the hydraulic properties of the material between the release point and the water table. Measurements of the hydraulic properties of the Hanford unsaturated sediments that buffer the water table are available from many areas of the site; however, the documentation is not well cataloged nor is it easily accessible. The purpose of this report is to identify what data is available for characterization of the unsaturated hydraulic properties at Hanford and Where these data can be found.

  16. Soil hydraulic properties near saturation, an improved conductivity model

    DEFF Research Database (Denmark)

    Børgesen, Christen Duus; Jacobsen, Ole Hørbye; Hansen, Søren

    2006-01-01

    of commonly used hydraulic conductivity models and give suggestions for improved models. Water retention and near saturated and saturated hydraulic conductivity were measured for a variety of 81 top and subsoils. The hydraulic conductivity models by van Genuchten [van Genuchten, 1980. A closed-form equation...... for predicting the hydraulic conductivity of unsaturated soils. Soil Sci. Soc. Am. J. 44, 892–898.] (vGM) and Brooks and Corey, modified by Jarvis [Jarvis, 1991. MACRO—A Model of Water Movement and Solute Transport in Macroporous Soils. Swedish University of Agricultural Sciences. Department of Soil Sciences....... Optimising a matching factor (k0) improved the fit considerably whereas optimising the l-parameter in the vGM model improved the fit only slightly. The vGM was improved with an empirical scaling function to account for the rapid increase in conductivity near saturation. Using the improved models...

  17. Summary and evaluation of available hydraulic property data for the Hanford Site unconfined aquifer system

    International Nuclear Information System (INIS)

    Thorne, P.D.; Newcomer, D.R.

    1992-11-01

    Improving the hydrologic characterization of the Hanford Site unconfined aquifer system is one of the objectives of the Hanford Site Ground-Water Surveillance Project. To help meet this objective, hydraulic property data available for the aquifer have been compiled, mainly from reports published over the past 40 years. Most of the available hydraulic property estimates are based on constant-rate pumping tests of wells. Slug tests have also been conducted at some wells and analyzed to determine hydraulic properties. Other methods that have been used to estimate hydraulic properties of the unconfined aquifer are observations of water-level changes in response to river stage, analysis of ground-water mound formation, tracer tests, and inverse groundwater flow models

  18. Temperature effects on geotechnical and hydraulic properties of bentonite hydrated with inorganic salt solutions

    DEFF Research Database (Denmark)

    Rashid, H. M. A.; Kawamoto, K.; Saito, T.

    2015-01-01

    © 2015, International Journal of GEOMATE. This study investigated the combined effect of temperature and single-species salt solutions on geotechnical properties (swell index and liquid limit) and hydraulic conductivity of bentonite applying different cation types, concentrations, and temperatures...

  19. Saturated hydraulic conductivity in relation to physical properties of soils in the Nsukka Plains, SE Nigeria

    International Nuclear Information System (INIS)

    Mbagwu, J.S.C.

    1994-05-01

    The objective of the study is to develop and validate statistical models for estimating the saturated hydraulic conductivity of soils with high water intake rates from more easily-determined properties and to test the hypothesis that it is equal to Philip transmissivity term and the steady infiltration rate. The results of the study show that the dominant physical property influencing saturated hydraulic conductivity of the investigated soils is the macroporosity. 37 refs, 6 figs, 5 tabs

  20. Electronic properties of graphite

    International Nuclear Information System (INIS)

    Schneider, J.

    2010-10-01

    In this thesis, low-temperature magneto-transport (T ∼ 10 mK) and the de Haas-van Alphen effect of both natural graphite and highly oriented pyrolytic graphite (HOPG) are examined. In the first part, low field magneto-transport up to B = 11 T is discussed. A Fourier analysis of the background removed signal shows that the electric transport in graphite is governed by two types of charge carriers, electrons and holes. Their phase and frequency values are in agreement with the predictions of the SWM-model. The SWM-model is confirmed by detailed band structure calculations using the magnetic field Hamiltonian of graphite. The movement of the Fermi at B > 2 T is calculated self-consistently assuming that the sum of the electron and hole concentrations is constant. The second part of the thesis deals with high field magneto-transport of natural graphite in the magnetic field range 0 ≤ B ≤ 28 T. Both spin splitting of magneto-transport features in tilted field configuration and the onset of the charge density wave (CDW) phase for different temperatures with the magnetic field applied normal to the sample plane are discussed. Concerning the Zeeman effect, the SWM calculations including the Fermi energy movement require a g-factor of g* equal to 2.5 ± 0.1 to reproduce the spin spilt features. The measurements of the charge density wave state confirm that its onset magnetic field can be described by a Bardeen-Cooper-Schrieffer (BCS)-type formula. The measurements of the de Haas-van Alphen effect are in agreement with the results of the magneto-transport measurements at low field. (author)

  1. Scaling the flood regime with the soil hydraulic properties of the catchment

    Science.gov (United States)

    Peña Rojas, Luis Eduardo; Francés García, Félix; Barrios Peña, Miguel

    2015-04-01

    The spatial land cover distribution and soil type affect the hydraulic properties of soils, facilitating or retarding the infiltration rate and the response of a catchment during flooding events. This research analyzes: 1) the effect of land cover use in different time periods as a source of annual maximum flood records nonstationarity; 2) the scalability of the relationship between soil hydraulic properties of the catchment (initial abstractions, upper soil capillary storage and vertical and horizontal hydraulic conductivity) and the flood regime. The study was conducted in Combeima River basin in Colombia - South America and it was modelled the changes in the land uses registered in 1991, 2000, 2002 and 2007, using distributed hydrological modelling and nonparametric tests. The results showed that changes in land use affect hydraulic properties of soil and it has influence on the magnitude of flood peaks. What is a new finding is that this behavior is scalable with the soil hydraulic properties of the catchment flood moments have a simple scaling behavior and the peaks flow increases with higher values of capillary soil storage, whereas higher values, the peaks decreased. Finally it was applied Generalized Extreme Values and it was found scalable behavior in the parameters of the probability distribution function. The results allowed us to find a relationship between soil hydraulic properties and the behavior of flood regime in the basin studied.

  2. Moss and peat hydraulic properties are optimized to maximise peatland water use efficiency

    Science.gov (United States)

    Kettridge, Nicholas; Tilak, Amey; Devito, Kevin; Petrone, Rich; Mendoza, Carl; Waddington, Mike

    2016-04-01

    Peatland ecosystems are globally important carbon and terrestrial surface water stores that have formed over millennia. These ecosystems have likely optimised their ecohydrological function over the long-term development of their soil hydraulic properties. Through a theoretical ecosystem approach, applying hydrological modelling integrated with known ecological thresholds and concepts, the optimisation of peat hydraulic properties is examined to determine which of the following conditions peatland ecosystems target during this development: i) maximise carbon accumulation, ii) maximise water storage, or iii) balance carbon profit across hydrological disturbances. Saturated hydraulic conductivity (Ks) and empirical van Genuchten water retention parameter α are shown to provide a first order control on simulated water tensions. Across parameter space, peat profiles with hypothetical combinations of Ks and α show a strong binary tendency towards targeting either water or carbon storage. Actual hydraulic properties from five northern peatlands fall at the interface between these goals, balancing the competing demands of carbon accumulation and water storage. We argue that peat hydraulic properties are thus optimized to maximise water use efficiency and that this optimisation occurs over a centennial to millennial timescale as the peatland develops. This provides a new conceptual framework to characterise peat hydraulic properties across climate zones and between a range of different disturbances, and which can be used to provide benchmarks for peatland design and reclamation.

  3. Electronic properties of semiconductor heterostructures

    International Nuclear Information System (INIS)

    Einevoll, G.T.

    1991-02-01

    Ten papers on the electronic properties of semiconductors and semiconductor heterostructures constitute the backbone of this thesis. Four papers address the form and validity of the single-band effective mass approximation for semiconductor heterostructures. In four other papers properties of acceptor states in bulk semiconductors and semiconductor heterostructures are studied using the novel effective bond-orbital model. The last two papers deal with localized excitions. 122 refs

  4. Use of tracer tests to evaluate hydraulic properties of constructed wetlands

    International Nuclear Information System (INIS)

    Wachniew, P.; Czuprynski, P.; Maloszewski, P.

    2004-01-01

    Knowledge of hydraulic properties is a perquisite for studies of constructed wetlands functioning. Bromide ions and tritium were used as a tracers to derive RTDs for two constructed wetlands: a reed bed with subsurface flow and a Lemna pond. Quantitative hydraulic characteristics (mean travel time of water, dispersion number) of the wetlands were evaluated from RTDs (Residence Time Distributions) by means of a mathematical model of waste water flow. (author)

  5. Assessment the effect of homogenized soil on soil hydraulic properties and soil water transport

    Science.gov (United States)

    Mohawesh, O.; Janssen, M.; Maaitah, O.; Lennartz, B.

    2017-09-01

    Soil hydraulic properties play a crucial role in simulating water flow and contaminant transport. Soil hydraulic properties are commonly measured using homogenized soil samples. However, soil structure has a significant effect on the soil ability to retain and to conduct water, particularly in aggregated soils. In order to determine the effect of soil homogenization on soil hydraulic properties and soil water transport, undisturbed soil samples were carefully collected. Five different soil structures were identified: Angular-blocky, Crumble, Angular-blocky (different soil texture), Granular, and subangular-blocky. The soil hydraulic properties were determined for undisturbed and homogenized soil samples for each soil structure. The soil hydraulic properties were used to model soil water transport using HYDRUS-1D.The homogenized soil samples showed a significant increase in wide pores (wCP) and a decrease in narrow pores (nCP). The wCP increased by 95.6, 141.2, 391.6, 3.9, 261.3%, and nCP decreased by 69.5, 10.5, 33.8, 72.7, and 39.3% for homogenized soil samples compared to undisturbed soil samples. The soil water retention curves exhibited a significant decrease in water holding capacity for homogenized soil samples compared with the undisturbed soil samples. The homogenized soil samples showed also a decrease in soil hydraulic conductivity. The simulated results showed that water movement and distribution were affected by soil homogenizing. Moreover, soil homogenizing affected soil hydraulic properties and soil water transport. However, field studies are being needed to find the effect of these differences on water, chemical, and pollutant transport under several scenarios.

  6. Environmental and management impacts on temporal variability of soil hydraulic properties

    Science.gov (United States)

    Bodner, G.; Scholl, P.; Loiskandl, W.; Kaul, H.-P.

    2012-04-01

    Soil hydraulic properties underlie temporal changes caused by different natural and management factors. Rainfall intensity, wet-dry cycles, freeze-thaw cycles, tillage and plant effects are potential drivers of the temporal variability. For agricultural purposes it is important to determine the possibility of targeted influence via management. In no-till systems e.g. root induced soil loosening (biopores) is essential to counteract natural soil densification by settling. The present work studies two years of temporal evolution of soil hydraulic properties in a no-till crop rotation (durum wheat-field pea) with two cover crops (mustard and rye) having different root systems (taproot vs. fibrous roots) as well as a bare soil control. Soil hydraulic properties such as near-saturated hydraulic conductivity, flow weighted pore radius, pore number and macroporosity are derived from measurements using a tension infiltrometer. The temporal dynamics are then analysed in terms of potential driving forces. Our results revealed significant temporal changes of hydraulic conductivity. When approaching saturation, spatial variability tended to dominate over the temporal evolution. Changes in near-saturated hydraulic conductivity were mainly a result of changing pore number, while the flow weighted mean pore radius showed less temporal dynamic in the no-till system. Macroporosity in the measured range of 0 to -10 cm pressure head ranged from 1.99e-4 to 8.96e-6 m3m-3. The different plant coverage revealed only minor influences on the observed system dynamics. Mustard increased slightly the flow weighted mean pore radius, being 0.090 mm in mustard compared to 0.085 mm in bare soil and 0.084 mm in rye. Still pore radius changes were of minor importance for the overall temporal dynamics. Rainfall was detected as major driving force of the temporal evolution of structural soil hydraulic properties at the site. Soil hydraulic conductivity in the slightly unsaturated range (-7 cm to -10

  7. Geometric properties of hydraulic-relevant tidal bedforms

    DEFF Research Database (Denmark)

    Winter, Christian; Ferret, Yann; Lefebvre, Alice

    2013-01-01

    of bedform genesis and dynamics is not yet available, various empirical descriptors have been formulated based on extensive data compilations (e.g. Allen, 1968; Flemming, 1988; Francken, 2004). Mean bedform heights H and lengths L were found to scale, e.g H = a * L b in which a=0.03-0.07 and b=0.7-0.9. Due...... on the tidal stage: Whereas the secondary bedforms act as roughness elements throughout the tidal cycle, the large primary bedforms dominate the hydraulics when the tidal flow is in the (dominant) direction of the bedform orientation (e.g. ebb-directed primary bedforms act during ebb currents) when...

  8. Quantifying the Effects of Biofilm on the Hydraulic Properties of Unsaturated Soils

    Science.gov (United States)

    Volk, E.; Iden, S.; Furman, A.; Durner, W.; Rosenzweig, R.

    2017-12-01

    Quantifying the effects of biofilms on hydraulic properties of unsaturated soils is necessary for predicting water and solute flow in soil with extensive microbial presence. This can be relevant to bioremediation processes, soil aquifer treatment and effluent irrigation. Previous works showed a reduction in the hydraulic conductivity and an increase in water content due to the addition of biofilm analogue materials. The objective of this research is to quantify soil hydraulic properties of unsaturated soil (water retention and hydraulic conductivity) using real soil biofilm. In this work, Hamra soil was incubated with Luria Broth (LB) and biofilm-producing bacteria (Pseudomonas Putida F1). Hydraulic conductivity and water retention were measured by the evaporation method, Dewpoint method and a constant head permeameter. Biofilm was quantified using viable counts and the deficit of TOC. The results show that the presence of biofilms increases soil retention in the `dry' range of the curve and reduces the hydraulic conductivity (see figure). This research shows that biofilms may have a non-negligible effect on flow and transport in unsaturated soils. These findings contribute to modeling water flow in biofilm amended soil.

  9. Electronic properties of physisorbed helium

    International Nuclear Information System (INIS)

    Kossler, Sarah

    2011-01-01

    This thesis deals with electronic excitations of helium physisorbed on metal substrates. It is studied to what extent the electronic properties change compared to the gas phase due to the increased helium density and the proximity of the metal. Furthermore, the influence of different substrate materials is investigated systematically. To this end, up to two helium layers were adsorbed onto Ru (001), Pt (111), Cu (111), and Ag (111) surfaces in a custom-made cryostat. These samples were studied spectroscopically using synchrotron radiation and a time-of-flight detector. The experimental results were then analyzed in comparison with extensive theoretical model calculations.

  10. Electronic properties of physisorbed helium

    Energy Technology Data Exchange (ETDEWEB)

    Kossler, Sarah

    2011-09-22

    This thesis deals with electronic excitations of helium physisorbed on metal substrates. It is studied to what extent the electronic properties change compared to the gas phase due to the increased helium density and the proximity of the metal. Furthermore, the influence of different substrate materials is investigated systematically. To this end, up to two helium layers were adsorbed onto Ru (001), Pt (111), Cu (111), and Ag (111) surfaces in a custom-made cryostat. These samples were studied spectroscopically using synchrotron radiation and a time-of-flight detector. The experimental results were then analyzed in comparison with extensive theoretical model calculations.

  11. Investigation on the effect of seawater to hydraulic property and wetting process of bentonite

    International Nuclear Information System (INIS)

    Hasegawa, Takuma

    2004-01-01

    On high-level waste disposal, bentonite is one of the most promising material for buffer and backfill material. The hydraulic properties and wetting process of bentonite are important not only for barrier performance assessment but also for prediction of waste disposal environment, such as resaturation time and thermal distribution. In Japan, we should consider the effect of seawater for bentonite, because radioactive waste will be disposed of in coastal area and in marine sediment where seawater remained. However, it is not enough to understand the effect of seawater. Therefore, experimental study was conducted to investigate the effect of seawater on the hydraulic conductivity and wetting process of bentonite. The effect of seawater on hydraulic conductivity is significant for Na-bentonite, the hydraulic conductivity of Na-bentonite in seawater is one order to magnitude higher than that in distilled water. On the other hand, the hydraulic conductivity of Ca-bentonite is not influenced by seawater. The hydraulic conductivity of bentonite decreases as effective montmorillonite density increases. The effective montmorillonite density is ratio between the weight of montmorillonite and volume of porosity and montmorillonite. The hydraulic conductivity of bentonite is close related to swelling property since the hydraulic conductivity decrease as the swelling pressure increase. Wetting process of compacted bentonite could be evaluated by diffusion phenomena since infiltration rate and change of saturation rate and represented by diffusion equation. The effect of seawater on water diffusivity is significant for Na-type bentonite with low effective montmorillonite density. Except for that condition, the water diffusivity of bentonite is almost constant and is not influenced by effective montmorillonite density and seawater. (author)

  12. Determination of mechanical and hydraulic properties of PVA hydrogels.

    Science.gov (United States)

    Kazimierska-Drobny, Katarzyna; El Fray, Miroslawa; Kaczmarek, Mariusz

    2015-03-01

    In this paper the identification of mechanical and hydraulic parameters of poly(vinyl alcohol) (PVA) hydrogels is described. The identification method follows the solution of inverse problem using experimental data from the unconfined compression test and the poroelastic creep model. The sensitivity analysis of the model shows significant dependence of the creep curves on investigated parameters. The hydrogels containing 22% PVA and 25% PVA were tested giving: the drained Youngs modulus of 0.71 and 0.9MPa; the drained Poisson's ratio of 0.18 and 0.31; and the permeability of 3.64·10(-15) and 3.29·10(15)m(4)/Ns, respectively. The values of undrained Youngs modulus were determined by measuring short period deformation of samples in the unconfined tests. A discussion on obtained results is presented. Copyright © 2014 Elsevier B.V. All rights reserved.

  13. Cavitation of intercellular spaces is critical to establishment of hydraulic properties of compression wood of Chamaecyparis obtusa seedlings.

    Science.gov (United States)

    Nakaba, Satoshi; Hirai, Asami; Kudo, Kayo; Yamagishi, Yusuke; Yamane, Kenichi; Kuroda, Katsushi; Nugroho, Widyanto Dwi; Kitin, Peter; Funada, Ryo

    2016-03-01

    When the orientation of the stems of conifers departs from the vertical as a result of environmental influences, conifers form compression wood that results in restoration of verticality. It is well known that intercellular spaces are formed between tracheids in compression wood, but the function of these spaces remains to be clarified. In the present study, we evaluated the impact of these spaces in artificially induced compression wood in Chamaecyparis obtusa seedlings. We monitored the presence or absence of liquid in the intercellular spaces of differentiating xylem by cryo-scanning electron microscopy. In addition, we analysed the relationship between intercellular spaces and the hydraulic properties of the compression wood. Initially, we detected small intercellular spaces with liquid in regions in which the profiles of tracheids were not rounded in transverse surfaces, indicating that the intercellular spaces had originally contained no gases. In the regions where tracheids had formed secondary walls, we found that some intercellular spaces had lost their liquid. Cavitation of intercellular spaces would affect hydraulic conductivity as a consequence of the induction of cavitation in neighbouring tracheids. Our observations suggest that cavitation of intercellular spaces is the critical event that affects not only the functions of intercellular spaces but also the hydraulic properties of compression wood. © The Author 2016. Published by Oxford University Press on behalf of the Annals of Botany Company. All rights reserved. For Permissions, please email: journals.permissions@oup.com.

  14. Contribution to solving the problem of determining the hydraulic properties of bentonite; Prispevok k rieseniu problemu stanovenia hydraulickych vlastnosti bentonitov

    Energy Technology Data Exchange (ETDEWEB)

    Dano, M.; Galambos, M. [Univerzita Komenskeho, Prirodovedecka fakulta, Katedra jadrovej chemie, 84215 Bratislava (Slovakia); Kurek, M.; Jesenak, K. [Univerzita Komenskeho, Prirodovedecka fakulta, Katedra anorganickej chemie, 84215 Bratislava (Slovakia)

    2013-04-16

    Large hydraulic resistance of clay minerals is the most used property. In this regard, bentonite is the most frequent mineral used for sealing barrier purposes in construction and building various types of waste dumps. Large hydraulic resistance of clays is often the cause of various complications of determining these properties. This report inform, how to use equipment that has been designed just for determining the hydraulic properties of particulate materials with high hydraulic resistance. It also shows its advantages and limitations in flow experiments using layers of bentonite Stara Kremnicka - Jelsovy potok. (authors)

  15. Hydraulic testing around Room Q: Evaluation of the effects of mining on the hydraulic properties of Salado Evaporites

    International Nuclear Information System (INIS)

    Domski, P.S.; Upton, D.T.; Beauheim, R.L.

    1996-03-01

    Room Q is a 109-m-long cylindrical excavation in the Salado Formation at the Waste Isolation Pilot Plant (WIPP) site. Fifteen boreholes were drilled and instrumented around Room Q so that tests could be conducted to determine the effects of room excavation on the hydraulic properties of the surrounding evaporate rocks. Pressure-buildup and pressure-pulse tests were conducted in all of the boreholes before Room Q was mined. The data sets from only eight of the boreholes are adequate for parameter estimation, and five of those are of poor quality. Constant-pressure flow tests and pressure-buildup tests were conducted after Room Q was mined, producing eleven interpretable data sets, including two of poor quality. Pre-mining transmissivities interpreted from the three good-quality data sets ranged from 1 x 10 -15 to 5 x 10 -14 m 2 /s (permeability-thickness products of 2 x 10 -22 to 9 x 10 -21 m 3 ) for test intervals ranging in length from 0.85 to 1.37 m. Pre-mining average permeabilities, which can be considered representative of undisturbed, far-field conditions, were 6 x 10 -20 and 8 x 10 -20 m 2 for anhydrite, and 3 x 10 -22 m 2 for halite. Post-mining transmissivities interpreted from the good-quality data sets ranged from 1 x 10 -16 to 3 x 10 -13 m 2 /s (permeability-thickness products of 2 x 10 -23 to 5 x 10 -20 m 3 ). Post-mining average permeabilities for anhydrite ranged from 8 x 10 -20 to 1 x 10 -19 m 2 . The changes in hydraulic properties and pore pressures that were observed can be attributed to one or a combination of three processes: stress reduction, changes in pore connectivity, and flow towards Room Q. The effects of the three processes cannot be individually quantified with the available data

  16. Quasi‐steady centrifuge method for unsaturated hydraulic properties

    Science.gov (United States)

    Caputo, Maria C.; Nimmo, John R.

    2005-01-01

    We have developed the quasi‐steady centrifuge (QSC) method as a variation of the steady state centrifuge method that can be implemented simply and inexpensively with greater versatility in terms of sample size and other features. It achieves these advantages by somewhat relaxing the criterion for steadiness of flow through the sample. This compromise entails an increase in measurement uncertainty but to a degree that is tolerable in most applications. We have tested this new approach with an easily constructed apparatus to establish a quasi‐steady flow of water in unsaturated porous rock samples spinning in a centrifuge, obtaining measurements of unsaturated hydraulic conductivity and water retention that agree with results of other methods. The QSC method is adaptable to essentially any centrifuge suitable for hydrogeologic applications, over a wide range of sizes and operating speeds. The simplified apparatus and greater adaptability of this method expands the potential for exploring situations that are common in nature but have been the subject of few laboratory investigations.

  17. Quasi-steady centrifuge method for unsaturated hydraulic properties

    Science.gov (United States)

    Caputo, Maria C.; Nimmo, John R.

    2005-11-01

    We have developed the quasi-steady centrifuge (QSC) method as a variation of the steady state centrifuge method that can be implemented simply and inexpensively with greater versatility in terms of sample size and other features. It achieves these advantages by somewhat relaxing the criterion for steadiness of flow through the sample. This compromise entails an increase in measurement uncertainty but to a degree that is tolerable in most applications. We have tested this new approach with an easily constructed apparatus to establish a quasi-steady flow of water in unsaturated porous rock samples spinning in a centrifuge, obtaining measurements of unsaturated hydraulic conductivity and water retention that agree with results of other methods. The QSC method is adaptable to essentially any centrifuge suitable for hydrogeologic applications, over a wide range of sizes and operating speeds. The simplified apparatus and greater adaptability of this method expands the potential for exploring situations that are common in nature but have been the subject of few laboratory investigations.

  18. Variability and scaling of hydraulic properties for 200 Area soils, Hanford Site

    Energy Technology Data Exchange (ETDEWEB)

    Khaleel, R.; Freeman, E.J.

    1995-10-01

    Over the years, data have been obtained on soil hydraulic properties at the Hanford Site. Much of these data have been obtained as part of recent site characterization activities for the Environmental Restoration Program. The existing data on vadose zone soil properties are, however, fragmented and documented in reports that have not been formally reviewed and released. This study helps to identify, compile, and interpret all available data for the principal soil types in the 200 Areas plateau. Information on particle-size distribution, moisture retention, and saturated hydraulic conductivity (K{sub s}) is available for 183 samples from 12 sites in the 200 Areas. Data on moisture retention and K{sub s} are corrected for gravel content. After the data are corrected and cataloged, hydraulic parameters are determined by fitting the van Genuchten soil-moisture retention model to the data. A nonlinear parameter estimation code, RETC, is used. The unsaturated hydraulic conductivity relationship can subsequently be predicted using the van Genuchten parameters, Mualem`s model, and laboratory-measured saturated hydraulic conductivity estimates. Alternatively, provided unsaturated conductivity measurements are available, the moisture retention curve-fitting parameters, Mualem`s model, and a single unsaturated conductivity measurement can be used to predict unsaturated conductivities for the desired range of field moisture regime.

  19. Effective soil hydraulic properties in space and time: some field data analysis and modeling concepts

    Science.gov (United States)

    Soil hydraulic properties, which control surface fluxes and storage of water and chemicals in the soil profile, vary in space and time. Spatial variability above the measurement scale (e.g., soil area of 0.07 m2 or support volume of 14 L) must be upscaled appropriately to determine “effective” hydr...

  20. Effects of sand compaction and mixing on pore structure and the unsaturated soil hydraulic properties

    NARCIS (Netherlands)

    Mahmoodlu, Mojtaba Ghareh; Raoof, A.; Sweijen, T.; van Genuchten, M. Th

    2016-01-01

    The hydraulic properties of unsaturated porous media very much depend on their pore structure as defined by the size, arrangement, and connectivity of pores. Several empirical and quasi-empirical approaches have been used over the years to derive pore structure information from the particle size

  1. Impact of land management on soil structure and soil hydraulic properties

    Czech Academy of Sciences Publication Activity Database

    Kodešová, R.; Jirků, V.; Nikodem, A.; Mühlhanselová, M.; Žigová, Anna

    2010-01-01

    Roč. 12, - (2010) ISSN 1029-7006. [European Geosciences Union General Assembly 2010. 02.05.2010-07.05.2010, Wienna] R&D Projects: GA ČR GA526/08/0434 Institutional research plan: CEZ:AV0Z30130516 Keywords : land management * soil structure * soil hydraulic properties * micromorphology Subject RIV: DF - Soil Science

  2. Soil hydraulic properties of topsoil along two elevation transects affected by soil erosion

    Czech Academy of Sciences Publication Activity Database

    Nikodem, A.; Kodešová, R.; Jakšík, O.; Jirků, V.; Fér, M.; Klement, A.; Žigová, Anna

    2013-01-01

    Roč. 15, - (2013) ISSN 1607-7962. [EGU General Assembly /10./. 07.04.2013-12.04.2013, Vienna] Institutional support: RVO:67985831 Keywords : topsoil * hydraulic properties * erosion processes Subject RIV: DF - Soil Science http://meetingorganizer.copernicus.org/EGU2013/EGU2013-7924.pdf

  3. Development and use of a database of hydraulic properties of European soils

    NARCIS (Netherlands)

    Wösten, J.H.M.; Nemes, A.; Lilly, A.; Bas, Le C.

    1999-01-01

    Many environmental studies on the protection of European soil and water resources make use of soil water simulation models. A major obstacle to the wider application of these models is the lack of easily accessible and representative soil hydraulic properties. In order to overcome this apparent lack

  4. Electronic properties of rippled graphene

    International Nuclear Information System (INIS)

    Gui Gui; Ma Zhenqiang; Zhong Jianxin

    2012-01-01

    Short range periodic ripples in graphene have been modeled. The electronic properties of the rippled graphene have been investigated using first-principles calculations. Compared with flat graphene, there is a band gap opening in rippled graphene. Generally, the value of energy gaps increases as the height of ripples increase, but it decreases as the range of ripples enlarges. The maximum value of energy gaps in rippled graphene can reach several hundred meV, which turns rippled graphene into a good semiconductor. As a result, the magnitude of energy gaps can be tuned effectively by controlling the range and height of ripples in graphene.

  5. Experimental investigation of the dielectric properties of soil under hydraulic loading

    International Nuclear Information System (INIS)

    Bittner, Tilman; Bore, Thierry; Karlovšek, Jurij; Scheuermann, Alexander; Wagner, Norman

    2017-01-01

    An experimental set-up was developed in order to determine the coupled hydraulic, dielectric and mechanical properties of granular media under hydraulic loading. The set-up consisted of a modified column for permeability tests involving a flow meter and pressure transducers along the sample to quantify the hydraulic gradient. A newly developed open-ended coaxial probe allowed the measurement of the frequency dependent dielectric permittivity of the material under test. The shear strength of the sample within the column was measured using a conventional vane shear device. In this paper, the overall set-up is introduced with focus on the open-ended coaxial probe. The design and calibration of the probe are introduced in detail. A numerical study showed that the sensitive cylindrical volume of the probe was approximately 150 mm in diameter with a depth of 65 mm. An investigation with glass beads showed that the set-up allowed the parameterization of the hydraulic, mechanic and dielectric parameters of granular materials under the influence of vertical flow. A satisfactorily good correlation between porosity and the real part of the dielectric permittivity was detected. The critical hydraulic gradient defining the transition of a fixed bed of particles to fluidization was characterized by a sharp peak in the evolution of the hydraulic conductivity and could easily be determined from the measurements. The shear strength of the material under test reduces linearly with increasing hydraulic gradient. Future investigations will be carried out to provide the required parameterizations for experimental and numerical investigations of the internal erosion of granular media. (paper)

  6. Comparison among monitoring strategies to assess water flow dynamic and soil hydraulic properties in agricultural soils

    Energy Technology Data Exchange (ETDEWEB)

    Valdes-Abellan, J.; Jiménez-Martínez, J.; Candela, L.; Tamoh, K.

    2015-07-01

    Irrigated agriculture is usually performed in semi-arid regions despite scarcity of water resources. Therefore, optimal irrigation management by monitoring the soil is essential, and assessing soil hydraulic properties and water flow dynamics is presented as a first measure. For this purpose, the control of volumetric water content, θ, and pressure head, h, is required. This study adopted two types of monitoring strategies in the same experimental plot to control θ and h in the vadose zone: i) non-automatic and more time-consuming; ii) automatic connected to a datalogger. Water flux was modelled with Hydrus-1D using the data collected from both acquisition strategies independently (3820 daily values for the automatic; less than 1000 for the non-automatic). Goodness-of-fit results reported a better adjustment in case of automatic sensors. Both model outputs adequately predicted the general trend of θ and h, but with slight differences in computed annual drainage (711 mm and 774 mm). Soil hydraulic properties were inversely estimated from both data acquisition systems. Major differences were obtained in the saturated volumetric water content, θs, and the n and α van Genuchten model shape parameters. Saturated hydraulic conductivity, Ks, shown lower variability with a coefficient of variation range from 0.13 to 0.24 for the soil layers defined. Soil hydraulic properties were better assessed through automatic data acquisition as data variability was lower and accuracy was higher. (Author)

  7. Comparison among monitoring strategies to assess water flow dynamic and soil hydraulic properties in agricultural soils

    Directory of Open Access Journals (Sweden)

    Javier Valdes-Abellan

    2015-03-01

    Full Text Available Abstract Irrigated agriculture is usually performed in semi-arid regions despite scarcity of water resources. Therefore, optimal irrigation management by monitoring the soil is essential, and assessing soil hydraulic properties and water flow dynamics is presented as a first measure. For this purpose, the control of volumetric water content, θ, and pressure head, h, is required. This study adopted two types of monitoring strategies in the same experimental plot to control θ and h in the vadose zone: i non-automatic and more time-consuming; ii automatic connected to a datalogger. Water flux was modelled with Hydrus-1D using the data collected from both acquisition strategies independently (3820 daily values for the automatic; less than 1000 for the non-automatic. Goodness-of-fit results reported a better adjustment in case of automatic sensors. Both model outputs adequately predicted the general trend of θ and h, but with slight differences in computed annual drainage (711 mm and 774 mm. Soil hydraulic properties were inversely estimated from both data acquisition systems. Major differences were obtained in the saturated volumetric water content, θs, and the n and α van Genuchten model shape parameters. Saturated hydraulic conductivity, Ks, shown lower variability with a coefficient of variation range from 0.13 to 0.24 for the soil layers defined. Soil hydraulic properties were better assessed through automatic data acquisition as data variability was lower and accuracy was higher.

  8. Soil physical and hydraulic properties modification under Arachis ...

    African Journals Online (AJOL)

    A field study was carried out to determine the effects of 3 plant densities (33333, 66667 and 83333 plants/ha)on soil properties and water loss through evaporation from soils under 2 cultivars of Arachis hypogaeaL. (SAMNUT 10 and SAMNUT 21) and Arachis pintoi(PINTOI) in Ibadan, south western Nigeria. The experiment ...

  9. Effects of native forest restoration on soil hydraulic properties, Auwahi, Maui, Hawaiian Islands

    Science.gov (United States)

    Perkins, Kimberlie S.; Nimmo, John R.; Medeiros, Arthur C.

    2012-01-01

    Over historic time Hawai'i's dryland forests have been largely replaced by grasslands for grazing livestock. On-going efforts have been undertaken to restore dryland forests to bring back native species and reduce erosion. The reestablishment of native ecosystems on land severely degraded by long-term alternative use requires reversal of the impacts of erosion, organic-matter loss, and soil structural damage on soil hydraulic properties. This issue is perhaps especially critical in dryland forests where the soil must facilitate native plants' optimal use of limited water. These reforestation efforts depend on restoring soil ecological function, including soil hydraulic properties. We hypothesized that reforestation can measurably change soil hydraulic properties over restoration timescales. At a site on the island of Maui (Hawai'i, USA), we measured infiltration capacity, hydrophobicity, and abundance of preferential flow channels in a deforested grassland and in an adjacent area where active reforestation has been going on for fourteen years. Compared to the nearby deforested rangeland, mean field-saturated hydraulic conductivity in the newly restored forest measured by 55 infiltrometer tests was greater by a factor of 2.0. Hydrophobicity on an 8-point scale increased from average category 6.0 to 6.9. A 4-point empirical categorization of preferentiality in subsurface wetting patterns increased from an average 1.3 in grasslands to 2.6 in the restored forest. All of these changes act to distribute infiltrated water faster and deeper, as appropriate for native plant needs. This study indicates that vegetation restoration can lead to ecohydrologically important changes in soil hydraulic properties over decadal time scales.

  10. Hydraulic testing around Room Q: Evaluation of the effects of mining on the hydraulic properties of Salado Evaporites

    Energy Technology Data Exchange (ETDEWEB)

    Domski, P.S.; Upton, D.T. [INTERA, Inc., Albuquerque, NM (United States); Beauheim, R.L. [Sandia National Laboratories, Albuquerque, NM (United States)

    1996-03-01

    Room Q is a 109-m-long cylindrical excavation in the Salado Formation at the Waste Isolation Pilot Plant (WIPP) site. Fifteen boreholes were drilled and instrumented around Room Q so that tests could be conducted to determine the effects of room excavation on the hydraulic properties of the surrounding evaporate rocks. Pressure-buildup and pressure-pulse tests were conducted in all of the boreholes before Room Q was mined. The data sets from only eight of the boreholes are adequate for parameter estimation, and five of those are of poor quality. Constant-pressure flow tests and pressure-buildup tests were conducted after Room Q was mined, producing eleven interpretable data sets, including two of poor quality. Pre-mining transmissivities interpreted from the three good-quality data sets ranged from 1 x 10{sup -15} to 5 x 10{sup -14} m{sup 2}/s (permeability-thickness products of 2 x 10{sup -22} to 9 x 10{sup -21} m{sup 3}) for test intervals ranging in length from 0.85 to 1.37 m. Pre-mining average permeabilities, which can be considered representative of undisturbed, far-field conditions, were 6 x 10{sup -20} and 8 x 10{sup -20} m{sup 2} for anhydrite, and 3 x 10{sup -22} m{sup 2} for halite. Post-mining transmissivities interpreted from the good-quality data sets ranged from 1 x 10{sup -16} to 3 x 10{sup -13} m{sup 2}/s (permeability-thickness products of 2 x 10{sup -23} to 5 x 10{sup -20} m{sup 3}). Post-mining average permeabilities for anhydrite ranged from 8 x 10{sup -20} to 1 x 10{sup -19} m{sup 2}. The changes in hydraulic properties and pore pressures that were observed can be attributed to one or a combination of three processes: stress reduction, changes in pore connectivity, and flow towards Room Q. The effects of the three processes cannot be individually quantified with the available data.

  11. Estimating saturated hydraulic conductivity and air permeability from soil physical properties using state-space analysis

    DEFF Research Database (Denmark)

    Poulsen, Tjalfe; Møldrup, Per; Nielsen, Don

    2003-01-01

    and gaseous chemicals in the vadose zone. In this study, three modeling approaches were used to identify the dependence of saturated hydraulic conductivity (K-S) and air permeability at -100 cm H2O soil-water potential (k(a100)) on soil physical properties in undisturbed soil: (i) Multiple regression, (ii......) ARIMA (autoregressive integrated moving average) modeling, and (iii) State-space modeling. In addition to actual soil property values, ARIMA and state-space models account for effects of spatial correlation in soil properties. Measured data along two 70-m-long transects at a 20-year old constructed......Estimates of soil hydraulic conductivity (K) and air permeability (k(a)) at given soil-water potentials are often used as reference points in constitutive models for K and k(a) as functions of moisture content and are, therefore, a prerequisite for predicting migration of water, air, and dissolved...

  12. Research Note:Determination of soil hydraulic properties using pedotransfer functions in a semi-arid basin, Turkey

    Directory of Open Access Journals (Sweden)

    M. Tombul

    2004-01-01

    Full Text Available Spatial and temporal variations in soil hydraulic properties such as soil moisture q(h and hydraulic conductivity K(q or K(h, may affect the performance of hydrological models. Moreover, the cost of determining soil hydraulic properties by field or laboratory methods makes alternative indirect methods desirable. In this paper, various pedotransfer functions (PTFs are used to estimate soil hydraulic properties for a small semi-arid basin (Kurukavak in the north-west of Turkey. The field measurements were a good fit with the retention curve derived using Rosetta SSC-BD for a loamy soil. To predict parameters to describe soil hydraulic characteristics, continuous PTFs such as Rosetta SSC-BD (Model H3 and SSC-BD-q33q1500 (Model H5 have been applied. Using soil hydraulic properties that vary in time and space, the characteristic curves for three soil types, loam, sandy clay loam and sandy loam have been developed. Spatial and temporal variations in soil moisture have been demonstrated on a plot and catchment scale for loamy soil. It is concluded that accurate site-specific measurements of the soil hydraulic characteristics are the only and probably the most promising method to progress in the future. Keywords: soil hydraulic properties, soil characteristic curves, PTFs

  13. Soil hydraulic material properties and layered architecture from time-lapse GPR

    Science.gov (United States)

    Jaumann, Stefan; Roth, Kurt

    2018-04-01

    Quantitative knowledge of the subsurface material distribution and its effective soil hydraulic material properties is essential to predict soil water movement. Ground-penetrating radar (GPR) is a noninvasive and nondestructive geophysical measurement method that is suitable to monitor hydraulic processes. Previous studies showed that the GPR signal from a fluctuating groundwater table is sensitive to the soil water characteristic and the hydraulic conductivity function. In this work, we show that the GPR signal originating from both the subsurface architecture and the fluctuating groundwater table is suitable to estimate the position of layers within the subsurface architecture together with the associated effective soil hydraulic material properties with inversion methods. To that end, we parameterize the subsurface architecture, solve the Richards equation, convert the resulting water content to relative permittivity with the complex refractive index model (CRIM), and solve Maxwell's equations numerically. In order to analyze the GPR signal, we implemented a new heuristic algorithm that detects relevant signals in the radargram (events) and extracts the corresponding signal travel time and amplitude. This algorithm is applied to simulated as well as measured radargrams and the detected events are associated automatically. Using events instead of the full wave regularizes the inversion focussing on the relevant measurement signal. For optimization, we use a global-local approach with preconditioning. Starting from an ensemble of initial parameter sets drawn with a Latin hypercube algorithm, we sequentially couple a simulated annealing algorithm with a Levenberg-Marquardt algorithm. The method is applied to synthetic as well as measured data from the ASSESS test site. We show that the method yields reasonable estimates for the position of the layers as well as for the soil hydraulic material properties by comparing the results to references derived from ground

  14. Circadian patterns of xylem sap properties and their covariation with plant hydraulic traits in hybrid aspen.

    Science.gov (United States)

    Meitern, Annika; Õunapuu-Pikas, Eele; Sellin, Arne

    2017-06-01

    Physiological processes taking place in plants are subject to diverse circadian patterns but some of them are poorly documented in natural conditions. The daily dynamics of physico-chemical properties of xylem sap and their covariation with tree hydraulic traits were investigated in hybrid aspen (Populus tremula L.×P. tremuloides Michx) in field conditions in order to clarify which environmental drivers govern the daily variation in these parameters. K + concentration ([K + ]), electrical conductivity (σ sap ), osmolality (Osm) and pH of the xylem sap, as well as branch hydraulic traits, were measured in the field over 24-h cycles. All studied xylem sap properties and hydraulic characteristics including whole-branch (K wb ), leaf blade (K lb ) and petiole hydraulic conductances (K P ) showed clear daily dynamics. Air temperature (T A ) and photosynthetic photon flux density (PPFD), but also water vapour pressure deficit (VPD) and relative humidity (RH), had significant impacts on K wb K lb , K P , [K + ] and σ sap . Osm varied only with light intensity, while K B varied depending on atmospheric evaporative demand expressed as T A , VPD or RH. Xylem sap pH depended inversely on soil water potential (Ψ S ) and during daylight also on VPD. Although soil water content was close to saturation during the study period, Ψ S influenced also [K + ] and σ sap . The present study presents evidence of coupling between circadian patterns of xylem sap properties and plant hydraulic conductance providing adequate water supply to foliage under environmental conditions characterised by diurnal variation. Copyright © 2017 Elsevier GmbH. All rights reserved.

  15. Water infiltration and hydraulic conductivity in a natural Mediterranean oak forest: impacts of hydrology-oriented silviculture on soil hydraulic properties

    Science.gov (United States)

    Di Prima, Simone; Bagarello, Vincenzo; Bautista, Inmaculada; Cerdà, Artemi; Cullotta, Sebastiano; del Campo, Antonio; González-Sanchis, María; Iovino, Massimo; Maetzke, Federico

    2016-04-01

    Prima, S., Iovino, M., 2015. Determining hydraulic properties of a loam soil by alternative infiltrometer techniques. Hydrol. Process. doi:10.1002/hyp.10607 Andréassian, V., 2004. Waters and forests: from historical controversy to scientific debate. Journal of Hydrology 291, 1-27. doi:10.1016/j.jhydrol.2003.12.015 Assouline, S., Mualem, Y., 2002. Infiltration during soil sealing: The effect of areal heterogeneity of soil hydraulic properties. Water Resour. Res. 38, 1286. doi:10.1029/2001WR001168 Aussenac, G., Granier, A., 1988. Effects of thinning on water stress and growth in Douglas-fir. Canadian Journal of Forest Research 18, 100-105. doi:10.1139/x88-015 Bagarello, V., Di Prima, S., Iovino, M., Provenzano, G., 2014. Estimating field-saturated soil hydraulic conductivity by a simplified Beerkan infiltration experiment. Hydrological Processes 28, 1095-1103. doi:10.1002/hyp.9649 Bens, O., Wahl, N.A., Fischer, H., Hüttl, R.F., 2006. Water infiltration and hydraulic conductivity in sandy cambisols: impacts of forest transformation on soil hydrological properties. Eur J Forest Res 126, 101-109. doi:10.1007/s10342-006-0133-7 Brooks, K.N., Folliott, P.F., Gregersen, H.M., DeBano, L.F., 2003. Hydrology and the Management of Watersheds. Hydrology and the Management of Watersheds 575. Cosandey, C., Andréassian, V., Martin, C., Didon-Lescot, J.F., Lavabre, J., Folton, N., Mathys, N., Richard, D., 2005. The hydrological impact of the mediterranean forest: a review of French research. Journal of Hydrology 301, 235-249. doi:10.1016/j.jhydrol.2004.06.040 del Campo, A.D., Fernandes, T.J.G., Molina, A.J., 2014. Hydrology-oriented (adaptive) silviculture in a semiarid pine plantation: How much can be modified the water cycle through forest management? European Journal of Forest Research 133, 879-894. doi:10.1007/s10342-014-0805-7 Di Prima, S., 2015. Automated single ring infiltrometer with a low-cost microcontroller circuit. Computers and Electronics in Agriculture 118, 390-395. doi

  16. Experimental Investigation on Hydraulic Properties of Granular Sandstone and Mudstone Mixtures

    Directory of Open Access Journals (Sweden)

    Dan Ma

    2018-01-01

    Full Text Available The caved zone during longwall mining has high permeability, resulting in a mass of groundwater storage which causes a threat of groundwater inrush hazard to the safe mining. To investigate the hazard mechanism of granular sandstone and mudstone mixture (SMM in caved zone, this paper presents an experimental study on the effect of sandstone particle (SP and mudstone particle (MP weight ratio on the non-Darcy hydraulic properties evolution. A self-designed granular rock seepage experimental equipment has been applied to conduct the experiments. The variation of particle size distribution was induced by loading and water seepage during the test, which indicated that the particle crushing and erosion properties of mudstone were higher than those of sandstone. Porosity evolution of SMM was strongly influenced by loading (sample height and SP/MP weight ratio. The sample with higher sample height and higher weight ratio of SP achieved higher porosity value. In particular, a non-Darcy equation, for hydraulic properties (permeability κ and non-Darcy coefficient ζ calculation, was sufficient to fit the relation between the hydraulic gradient and seepage velocity. The test results indicated that, due to the absence and narrowing of fracture and void during loading, the permeability κ decreases and the non-Darcy coefficient ζ increases. The variation of the hydraulic properties of the sample within the same particle size and SP/MP weight ratio indicated that groundwater inrush hazard showed a higher probability of occurrence in sandstone strata and crushed zone (e.g., faults. Moreover, isolated fractures and voids were able to achieve the changeover from self-extension to interconnection at the last loading stage, which caused the fluctuation tendency of κ and ζ. Fluctuation ability in mudstone was higher than that in sandstone. The performance of an empirical model was also investigated for the non-Darcy hydraulic properties evolution prediction of

  17. Stabilization of soil hydraulic properties under a long term no-till system

    Directory of Open Access Journals (Sweden)

    Luis Alberto Lozano

    2014-08-01

    Full Text Available The area under the no-tillage system (NT has been increasing over the last few years. Some authors indicate that stabilization of soil physical properties is reached after some years under NT while other authors debate this. The objective of this study was to determine the effect of the last crop in the rotation sequence (1st year: maize, 2nd year: soybean, 3rd year: wheat/soybean on soil pore configuration and hydraulic properties in two different soils (site 1: loam, site 2: sandy loam from the Argentinean Pampas region under long-term NT treatments in order to determine if stabilization of soil physical properties is reached apart from a specific time in the crop sequence. In addition, we compared two procedures for evaluating water-conducting macroporosities, and evaluated the efficiency of the pedotransfer function ROSETTA in estimating the parameters of the van Genuchten-Mualem (VGM model in these soils. Soil pore configuration and hydraulic properties were not stable and changed according to the crop sequence and the last crop grown in both sites. For both sites, saturated hydraulic conductivity, K0, water-conducting macroporosity, εma, and flow-weighted mean pore radius, R0ma, increased from the 1st to the 2nd year of the crop sequence, and this was attributed to the creation of water-conducting macropores by the maize roots. The VGM model adequately described the water retention curve (WRC for these soils, but not the hydraulic conductivity (K vs tension (h curve. The ROSETTA function failed in the estimation of these parameters. In summary, mean values of K0 ranged from 0.74 to 3.88 cm h-1. In studies on NT effects on soil physical properties, the crop effect must be considered.

  18. Carbofuran biodegradation in brackish groundwater and its effect on the hydraulic properties of the porous medium

    Science.gov (United States)

    Amiaz, Yanai; Ronen, Zeev; Adar, Eilon; Weisbrod, Noam

    2015-04-01

    A chalk fractured aquitard beneath an industrial site is subjected to intense contamination due to percolation of contaminants from the different facilities operating at the site. In order to reduce further contamination, draining trenches were excavated and filled with coarse gravel (3-4 cm in diameter) forming a porous medium, to which the contaminated groundwater discharges from the fractures surrounding the trenches. This research is aimed at establishing a biodegrading process of high efficiency and performance within the draining trenches. The research includes both field and laboratory experiments. An experimental setup of five columns (50 cm length and 4.5 cm in diameter) was constructed under highly controlled conditions. Over the course of the experiments, the columns were filled with different particle sizes and placed in a temperature controlled chamber. Filtered groundwater (0.2 µm) from the site groundwater, enriched by a model contaminant carbofuran (CRF), was injected to the columns; as two of the columns were inoculated by CRF degrading microorganisms native in the site's groundwater, two columns were inoculated by CRF degrading bacteria from the external environment, and one column was used as a control. During the experiment, measurements were taken from different locations along each column. These include: (a) CRF concentration and (b) hydraulic pressure and solution viscosity (in order to obtain the changes in permeability). A tracer test using uranine was carried out in parallel, in order to obtain the changes in hydraulic parameters. Correlating CRF concentration variations to changes of hydraulic parameters enable the deduction due to the effect that biological activity (under different temperature regimes) has on the hydraulic properties of the porous medium and its effect on the process of contaminant groundwater bodies' remediation. Preliminary results suggest that although biodegradation occurs, microbial activity has minor effect on

  19. The hydraulic properties of fracture zones and tracer tests with non-reactive elements in Studsvik

    International Nuclear Information System (INIS)

    Klockars, C.-E.; Persson, O.; Landstroem, O.

    1982-04-01

    Tracer technique was applied in a rock formation within the Studsvik Energiteknik area in order to study hydrodynamic properties of discrete fracture zones between boreholes. The two hole method was applied in these studies; a nonreactive tracer is injected in one hole into a fracture zone which is in hydraulic contact with a central pump hole (observation hole). Hydraulic tests and TV inspection were carried out in the fracture zones. Chemical composition of the groundwater was determined. In summary, the following hydraulic properties were found for the fracture zones between the boreholes B1N-B6N and B5N-B6N respectively, under the prevailing conditions: 1) The fracture zones studied consists of a number of transport pathways with different mean transit times, varying from 100 to 1200 hours. 2) The fracture zone between boreholes B1N and B6N has a mean hydraulic conductivity of 6-7 x 10 -5 m/s and the fracture zone between boreholes B5N and B6N, 2 x 10 -4 m/s. 3) The kinematic porosity of the fracture zones studied, calculated as the ratio between the hydraulic conductivity of the rock mass and that of the fracture zone, is 2 x 10 -3 and 5 x 10 -3 , respectively. 4) The roughness factor β, which expresses the ratio between measured and theoretically calculated (plane-parallel) fracture conductivity for the fracture zones studied, is approximately 0.04 and 0.06, respectively. 5) Dispersivity for the flow channels within the fracture zones is of the order of 0.3-0.8 m. 6) The groundwater encountered is a nearly neutral, probably reducing, Na-Ca-HCO 3 water. The results of the tracer tests reveal the following: I-131 is a suitable nonreactive tracer for the test area. A test with simultaneous injection of I-131 and T (tritium) gave comparable breakthrough curves. (Author)

  20. A Bayesian inverse modeling approach to estimate soil hydraulic properties of a toposequence in southeastern Amazonia.

    Science.gov (United States)

    Stucchi Boschi, Raquel; Qin, Mingming; Gimenez, Daniel; Cooper, Miguel

    2016-04-01

    Modeling is an important tool for better understanding and assessing land use impacts on landscape processes. A key point for environmental modeling is the knowledge of soil hydraulic properties. However, direct determination of soil hydraulic properties is difficult and costly, particularly in vast and remote regions such as one constituting the Amazon Biome. One way to overcome this problem is to extrapolate accurately estimated data to pedologically similar sites. The van Genuchten (VG) parametric equation is the most commonly used for modeling SWRC. The use of a Bayesian approach in combination with the Markov chain Monte Carlo to estimate the VG parameters has several advantages compared to the widely used global optimization techniques. The Bayesian approach provides posterior distributions of parameters that are independent from the initial values and allow for uncertainty analyses. The main objectives of this study were: i) to estimate hydraulic parameters from data of pasture and forest sites by the Bayesian inverse modeling approach; and ii) to investigate the extrapolation of the estimated VG parameters to a nearby toposequence with pedologically similar soils to those used for its estimate. The parameters were estimated from volumetric water content and tension observations obtained after rainfall events during a 207-day period from pasture and forest sites located in the southeastern Amazon region. These data were used to run HYDRUS-1D under a Differential Evolution Adaptive Metropolis (DREAM) scheme 10,000 times, and only the last 2,500 times were used to calculate the posterior distributions of each hydraulic parameter along with 95% confidence intervals (CI) of volumetric water content and tension time series. Then, the posterior distributions were used to generate hydraulic parameters for two nearby toposequences composed by six soil profiles, three are under forest and three are under pasture. The parameters of the nearby site were accepted when

  1. Hydraulic properties of buffer and backfill materials for high-level nuclear waste disposal

    International Nuclear Information System (INIS)

    Komine, Hideo; Ogata, Nobuhide

    2001-01-01

    The design and development of buffer and backfill materials, which fill up the disposal facility, are important for developing the technology of high-level nuclear wastes disposal. The compacted bentonite and sand-bentonite mixture are attracting greater attention as buffer and backfill materials because they have impermeable and swelling properties. This study investigated the hydraulic-conductivities at the different sand-bentonite mass ratio and dry density, which are the specifications of material, by the experimental works. This study also obtained the experimental data of hydraulic conductivities of the materials for 120 days at the farthest, and the permeability changes before and after swelling. Furthermore, this study proposed the evaluation method for hydraulic conductivity using the parameter 'Swelling volumetric strain of montmorillonite', which was proposed by the author. The evaluation method can obtain the hydraulic conductivity of buffer and backfill materials at various dry densities and bentonite contents. Therefore, the evaluation method can be used for designing the bentonite content and compaction density from the viewpoint of 'impermeability'. (author)

  2. River channel morphology and hydraulics properties due to introduction of plant basket hydraulic structures for river channel management

    Science.gov (United States)

    Kałuża, Tomasz; Radecki-Pawlik, Artur; Plesiński, Karol; Walczak, Natalia; Szoszkiewicz, Krzysztof; Radecki-Pawlik, Bartosz

    2016-04-01

    In the present time integrated water management is directly connected with management and direct works in river channels themselves which are taking into account morphological processes in rivers and improve flow conditions. Our work focused on the hydraulic and hydrodynamic consequences upon the introduction of the concept of the improvement of the hydromorphological conditions of the Flinta River in a given reach following river channel management concept. Based on a comprehensive study of the hydromorphological state of the river, four sections were selected where restoration measures can efficiently improve river habitat conditions in the river. For each section a set of technical and biological measures were proposed and implemented in practice. One of the proposed solutions was to construct plant basket hydraulic structures (PBHS) within the river channel, which are essentially plant barriers working as sediment traps, changing river channel morphology and are in line with concepts of Water Framework Directive. These relatively small structures work as crested weirs and unquestionably change the channel morphology. Along our work we show the results of three-year long (2013-2015) systematic measurements that provided information on the morphological consequences of introducing such structures into a river channel. Our main conclusions are as follows: 1. Plant basket hydraulic structures cause changes in hydrodynamic conditions and result in sediment accumulation and the formation of river backwaters upstream and downstream the obstacle; 2. The introduced plant basket hydraulic structures cause plant debris accumulation which influences the hydrodynamic flow conditions; 3. The installation of plant basket hydraulic structures on the river bed changes flow pattern as well as flow hydrodynamic conditions causing river braiding process; 4. The erosion rate below the plant basket hydraulic structures is due to the hydraulic work conditions of the PBHS and its

  3. Effect of soil properties on Hydraulic characteristics under subsurface drip irrigation

    Science.gov (United States)

    Fan, Wangtao; Li, Gang

    2018-02-01

    Subsurface drip irrigation (SDI) is a technique that has a high potential in application because of its high efficiency in water-saving. The hydraulic characteristics of SDI sub-unit pipe network can be affected by soil physical properties as the emitters are buried in soils. The related research, however, is not fully explored. The laboratory tests were carried out in the present study to determine the effects of hydraulic factors including operating pressure, initial soil water content, and bulk density on flow rate and its sensitivity to each hydraulic factor for two types of SDI emitters (PLASSIM emitter and Heping emitter). For this purpose, three soils with contrasting textures (i.e., light sand, silt loam, and light clay) were repacked with two soil bulk density (1.25 and1.40 g cm-3) with two initial soil water content (12% and 18%) in plexiglass columns with 40 cm in diameter and 40 cm in height. Drip emitters were buried at depth of 20 cm to measure the flow rates under seven operating pressures (60, 100, 150, 200, 250, 300, and 370 kPa). We found that the operating pressure was the dominating factor of flow rate of the SDI emitter, and flow rate increased with the increase of operating pressure. The initial soil water content and bulk density also affected the flow rate, and their effects were the most notable in the light sand soil. The sensitivity of flow rate to each hydraulic factor was dependent on soil texture, and followed a descending order of light sand>silt loam>light clay for both types of emitters. Further, the sensitivity of flow rate to each hydraulic factor decreased with the increase of operating pressure, initial soil water content, and bulk density. This study may be used to guide the soil specific-design of SDI emitters for optimal water use and management.

  4. [Effects of biochar and PAM application on saline soil hydraulic properties of coastal reclamation region].

    Science.gov (United States)

    Cao, Yu Tong; She, Dong Li

    2017-11-01

    Disc infiltration tests were carried out to study the soil infiltration characteristics under different rates of soil amendments application, and to investigate the effects of biochar and polyacrylamide (PAM) application on saline soil hydraulic properties, pore characteristics and contribution of each pore to soil water flow in coastal reclamation region. The results showed that soil satura-ted hydraulic conductivity increased by 46.4% when biochar was applied at 2% compared with the control, and decreased with increasing PAM application. The total effective soil porosity and r>100 μm pores were increased by 8.3% and 10.2% (PPAM application. Particularly, the total effective soil porosity decreased markedly when PAM was applied at 1‰ and the reduction was up to 88%. With the application of biochar and PAM, the contribution of r500 μm played a major role in determining water flows.

  5. Effect of biocrust: study of mechanical and hydraulic properties and erodibility

    Science.gov (United States)

    Slavík, Martin; Bruthans, Jiří; Schweigstillová, Jana

    2016-04-01

    It is well-known that lichens and other organisms forming crust on soil or rock surface play important role in weathering but may also protect underlying material from fast erosion. So far, there have been only few measurements comparing mechanical or hydraulic properties of biocrust with its subsurface on locked sand and friable sandstones, so the overall effect of the biocrust is not well-understood. Objective of our study is to quantify the effect of the biocrust on mechanical and hydraulic properties of friable sandstone and locked sand of Cretaceous age in six different localities with varying aspect and inclination and age of exposure in sandpit Strelec (Czech Rep.). On the artificial exposures, biocrust developed within last 10-30 years. Beside measurements of mechanical and hydraulic properties, SEM and mercury intrusion porosimetry in crust and subsurface was performed. Drilling resistance technique was found an excellent method to distinguish the biocrust from its subsurface (~3 mm thick biocrust has up to 12 times higher drilling resistance than underlying material). Surface zone with the biocrust has 3 - 25 times higher tensile strength than the subsurface material (1 - 25 kPa). In comparison with the subsurface, the biocrust is considerably less erodible (based on water jet testing). Biocrust saturated hydraulic conductivity is 15 - 240 times lower than the subsurface (6*10 -5 - 1*10 -4 m/s) and its permeability for water vapor is 4 - 9 times lower than subsurface. Presence of the biocrust slows down capillary absorption of water 4 - 25 times. The biocrust is thus forming firm surface which protects underlying material from rain and flowing water erosion and which considerably modifies its hydraulic properties. Material with crust exposed to calcination, leaching by concentrated peroxide and experiments with zymoliase enzyme strongly indicate that major contribution to crust hardening is provided by organic matter. Based on DNA sequencing the crust is

  6. Hydraulic and mechanical properties of young Norway spruce clones related to growth and wood structure

    Science.gov (United States)

    ROSNER, SABINE; KLEIN, ANDREA; MÜLLER, ULRICH; KARLSSON, BO

    2011-01-01

    Summary Stem segments of eight five-year-old Norway spruce (Picea abies (L.) Karst.) clones differing in growth characteristics were tested for maximum specific hydraulic conductivity (ks100), vulnerability to cavitation and behavior under mechanical stress. The vulnerability of the clones to cavitation was assessed by measuring the applied air pressure required to cause 12 and 50% loss of conductivity (Ψ12, Ψ50) and the percent loss of conductivity at 4 MPa applied air pressure (PLC4MPa). The bending strength and stiffness and the axial compression strength and stiffness of the same stem segments were measured to characterize wood mechanical properties. Growth ring width, wood density, latewood percentage, lumen diameter, cell wall thickness, tracheid length and pit dimensions of earlywood cells, spiral grain and microfibril angles were examined to identify structure–function relationships. High ks100 was strongly and positively related to spiral grain angle, which corresponded positively to tracheid length and pit dimensions. Spiral grain may reduce flow resistance of the bordered pits of the first earlywood tracheids, which are characterized by rounded tips and an equal distribution of pits along the entire length. Wood density was unrelated to hydraulic vulnerability parameters. Traits associated with higher hydraulic vulnerability were long tracheids, high latewood percentage and thick earlywood cell walls. The positive relationship between earlywood cell wall thickness and vulnerability to cavitation suggest that air seeding through the margo of bordered pits may occur in earlywood. There was a positive phenotypic and genotypic relationship between ks100 and PLC4MPa, and both parameters were positively related to tree growth rate. Variability in mechanical properties depended mostly on wood density, but also on the amount of compression wood. Accordingly, hydraulic conductivity and mechanical strength or stiffness showed no tradeoff. PMID:17472942

  7. Improved understanding of the relationship between hydraulic properties and streaming potentials

    Science.gov (United States)

    Cassiani, G.; Brovelli, A.

    2009-12-01

    Streaming potential (SP) measurements have been satisfactorily used in a number of recent studies as a non-invasive tool to monitor fluid movement in both the vadose and the saturated zone. SPs are generated from the coupling between two independent physical processes oc-curring at the pore-level, namely water flow and excess of ions at the negatively charged solid matrix-water interface. The intensity of the measured potentials depends on physical proper-ties of the medium, including the internal micro-geometry of the system, the charge density of the interface and the composition of the pore fluid, which affects its ionic strength, pH and redox potential. The goal of this work is to investigate whether a relationship between the intensity of the SPs and the saturated hydraulic conductivity can be identified. Both properties are - at least to some extent - dependent on the pore-size distribution and connectivity of the pores, and there-fore some degree of correlation is expected. We used a pore-scale numerical model previously developed to simulate both the bulk hydraulic conductivity and the intensity of the SPs gener-ated in a three-dimensional pore-network. The chemical-physical properties of both the inter-face (Zeta-potential) and of the aqueous phase are computed using an analytical, physically based model that has shown good agreement with experimental data. Modelling results were satisfactorily compared with experimental data, showing that the model, although simplified retains the key properties and mechanisms that control SP generation. A sensitivity analysis with respect to the key geometrical and chemical parameters was conducted to evaluate how the correlation between the two studied variables changes and to ascertain whether the bulk hydraulic conductivity can be estimated from SP measurements alone.

  8. Integrated assessment of space, time, and management-related variability of soil hydraulic properties

    Energy Technology Data Exchange (ETDEWEB)

    Es, H.M. van; Ogden, C.B.; Hill, R.L.; Schindelbeck, R.R.; Tsegaye, T.

    1999-12-01

    Computer-based models that simulate soil hydrologic processes and their impacts on crop growth and contaminant transport depend on accurate characterization of soil hydraulic properties. Soil hydraulic properties have numerous sources of variability related to spatial, temporal, and management-related processes. Soil type is considered to be the dominant source of variability, and parameterization is typically based on soil survey databases. This study evaluated the relative significance of other sources of variability: spatial and temporal at multiple scales, and management-related factors. Identical field experiments were conducted for 3 yr. at two sites in New York on clay loam and silt loam soils, and at two sites in Maryland on silt loam and sandy loam soils, all involving replicated plots with plow-till and no-till treatments. Infiltrability was determined from 2054 measurements using parameters, and Campbell's a and b parameters were determined based on water-retention data from 875 soil cores. Variance component analysis showed that differences among the sites were the most important source of variability for a (coefficient of variation, CV = 44%) and b (CV = 23%). Tillage practices were the most important source of variability for infiltrability (CV = 10%). For all properties, temporal variability was more significant than field-scale spatial variability. Temporal and tillage effects were more significant for the medium- and fine-textured soils, and correlated to initial soil water conditions. The parameterization of soil hydraulic properties solely based on soil type may not be appropriate for agricultural lands since soil-management factors are more significant. Sampling procedures should give adequate recognition to soil-management and temporal processes at significant sources of variability to avoid biased results.

  9. Measurement of Physical and Hydraulic Properties of Organic Soil Using Computed Tomographic Imagery

    Science.gov (United States)

    Blais, K. E.; Quinton, W. L.; Heck, R. J.; Price, J. S.; Schmidt, M. G.

    2005-12-01

    The Lower Liard River valley is located within the continental northern boreal region and the zone of discontinuous permafrost. Lying in the centre of the Mackenzie basin, this valley is an extensive flat headwater region with a high density of open water and peatlands. Several standard methods of measuring the physical properties of organic soils exist, although many of them have several drawbacks that limit their use. Organic soils, in particular, have unique properties that require special attention to ensure that the measured hydrological characteristics are represented as they exist in nature. The goal of this research was to devise an improved method of analyzing and measuring the physical and hydraulic properties of organic soil using MicroCT imagery. Specifically, this research seeks to determine if two and three-dimensional images of peat can be used to accurately characterize air-filled porosity, active porosity, pore size distribution, pore saturated area and capillarity of porous Sphagnum cells. Results indicate that measurements derived from these images are consistent with current literature. They also suggest that this non-destructive method is a valuable tool for measuring peat physical and hydraulic properties and that there is potential for additional research using CT technology.

  10. A global data set of soil hydraulic properties and sub-grid variability of soil water retention and hydraulic conductivity curves

    Science.gov (United States)

    Montzka, Carsten; Herbst, Michael; Weihermüller, Lutz; Verhoef, Anne; Vereecken, Harry

    2017-07-01

    Agroecosystem models, regional and global climate models, and numerical weather prediction models require adequate parameterization of soil hydraulic properties. These properties are fundamental for describing and predicting water and energy exchange processes at the transition zone between solid earth and atmosphere, and regulate evapotranspiration, infiltration and runoff generation. Hydraulic parameters describing the soil water retention (WRC) and hydraulic conductivity (HCC) curves are typically derived from soil texture via pedotransfer functions (PTFs). Resampling of those parameters for specific model grids is typically performed by different aggregation approaches such a spatial averaging and the use of dominant textural properties or soil classes. These aggregation approaches introduce uncertainty, bias and parameter inconsistencies throughout spatial scales due to nonlinear relationships between hydraulic parameters and soil texture. Therefore, we present a method to scale hydraulic parameters to individual model grids and provide a global data set that overcomes the mentioned problems. The approach is based on Miller-Miller scaling in the relaxed form by Warrick, that fits the parameters of the WRC through all sub-grid WRCs to provide an effective parameterization for the grid cell at model resolution; at the same time it preserves the information of sub-grid variability of the water retention curve by deriving local scaling parameters. Based on the Mualem-van Genuchten approach we also derive the unsaturated hydraulic conductivity from the water retention functions, thereby assuming that the local parameters are also valid for this function. In addition, via the Warrick scaling parameter λ, information on global sub-grid scaling variance is given that enables modellers to improve dynamical downscaling of (regional) climate models or to perturb hydraulic parameters for model ensemble output generation. The present analysis is based on the ROSETTA PTF

  11. Influence of irrigation and fertilization on transpiration and hydraulic properties of Populus deltoides.

    Energy Technology Data Exchange (ETDEWEB)

    Samuelson, Lisa, J.; Stokes, Thomas, A.; Coleman, Mark, D.

    2007-02-01

    Summary Long-term hydraulic acclimation to resource availability was explored in 3-year-bld Populus deltoides Bartr. ex Marsh. clones by examining transpiration. leaf-specific hydraulic conductance (GL), canopy stomatal conductance (Gs) and leaf to sapwood area ratio (AL:Asi)n response to imgation (13 and 551 mm year in addition to ambient precipitation) and fertilization (0 and 120 kg N ha-' year-'). Sap flow was measured continuously over one growing season with thermal dissipation probes. Fertilization had a greater effect on growth and hydraulic properties than imgation, and fertilization effects were independent of irrigation treatment. Transpiration on a ground area basis (E) ranged between 0.3 and 1.8 mm day-', and increased 66% and 90% in response to imgation and fertilization, respectively. Increases in GL, Gs at a reference vapor pressure deficit of 1 kPa, and transpiration per unit leaf areain response to increases in resource availability were associated with reductions in AL:As and consequently a minimal change in the water potential gradient from soil to leaf. Imgation and fertilization increased leaf area index similarly, from an average 1.16 in control stands to 1.45, but sapwood area was increased from 4.0 to 6.3 m ha-' by irrigation and from 3.7 to 6.7 m2 ha-' by fertilization. The balance between leaf area and sapwood area was important in understanding long-term hydraulic acclimation to resource availability and mechanisms controlling maximum productivity in Populus deltoides.

  12. Near-saturated surface soil hydraulic properties under different land uses in the St Denis National Wildlife Area, Saskatchewan, Canada

    Science.gov (United States)

    Bodhinayake, Waduwawatte; Si, Bing Cheng

    2004-10-01

    Surface soil hydraulic properties are key factors controlling the partition of rainfall and snowmelt into runoff and soil water storage, and their knowledge is needed for sound land management. The objective of this study was to evaluate the effects of three land uses (native grass, brome grass and cultivated) on surface soil hydraulic properties under near-saturated conditions at the St Denis National Wildlife Area, Saskatchewan, Canada. For each land use, water infiltration rates were measured using double-ring and tension infiltrometers at -0.3, -0.7, -1.5 and -2.2 kPa pressure heads. Macroporosity and unsaturated hydraulic properties of the surface soil were estimated. Mean field-saturated hydraulic conductivity (Kfs), unsaturated hydraulic conductivity at -0.3 kPa pressure head, inverse capillary length scale () and water-conducting macroporosity were compared for different land uses. These parameters of the native grass and brome grass sites were significantly (p 1.36 × 10-4 m in diameter in the three land uses. Land use modified near-saturated hydraulic properties of surface soil and consequently may alter the water balance of the area by changing the amount of surface runoff and soil water storage.

  13. Photoinhibition of stem elongation by blue and red light: effects on hydraulic and cell wall properties

    Science.gov (United States)

    Kigel, J.; Cosgrove, D. J.

    1991-01-01

    The underlying mechanism of photoinhibition of stem elongation by blue (BL) and red light (RL) was studied in etiolated seedlings of pea (Pisum sativum L. cv Alaska). Brief BL irradiations resulted in fast transient inhibition of elongation, while a delayed (lag approximately 60 minutes) but prolonged inhibition was observed after brief RL. Possible changes in the hydraulic and wall properties of the growing cells during photoinhibition were examined. Cell sap osmotic pressure was unaffected by BL and RL, but both irradiations increased turgor pressure by approximately 0.05 megapascal (pressure-probe technique). Cell wall yielding was analyzed by in vivo stress relaxation (pressure-block technique). BL and RL reduced the initial rate of relaxation by 38 and 54%, while the final amount of relaxation was decreased by 48 and 10%, respectively. These results indicate that RL inhibits elongation mainly by lowering the wall yield coefficient, while most of the inhibitory effect of BL was due to an increase of the yield threshold. Mechanical extensibility of cell walls (Instron technique) was decreased by BL and RL, mainly due to a reduction in the plastic component of extensibility. Thus, photoinhibitions of elongation by both BL and RL are achieved through changes in cell wall properties, and are not due to effects on the hydraulic properties of the cell.

  14. Measurement of unsaturated hydraulic properties and evaluation of property-transfer models for deep sedimentary interbeds, Idaho National Laboratory, Idaho

    Science.gov (United States)

    Perkins, Kimberlie; Johnson, Brittany D.; Mirus, Benjamin B.

    2014-01-01

    Operations at the Idaho National Laboratory (INL) have the potential to contaminate the underlying Eastern Snake River Plain (ESRP) aquifer. Methods to quantitatively characterize unsaturated flow and recharge to the ESRP aquifer are needed to inform water-resources management decisions at INL. In particular, hydraulic properties are needed to parameterize distributed hydrologic models of unsaturated flow and transport at INL, but these properties are often difficult and costly to obtain for large areas. The unsaturated zone overlying the ESRP aquifer consists of alternating sequences of thick fractured volcanic rocks that can rapidly transmit water flow and thinner sedimentary interbeds that transmit water much more slowly. Consequently, the sedimentary interbeds are of considerable interest because they primarily restrict the vertical movement of water through the unsaturated zone. Previous efforts by the U.S. Geological Survey (USGS) have included extensive laboratory characterization of the sedimentary interbeds and regression analyses to develop property-transfer models, which relate readily available physical properties of the sedimentary interbeds (bulk density, median particle diameter, and uniformity coefficient) to water retention and unsaturated hydraulic conductivity curves.

  15. Effects of subsoil compaction on hydraulic properties and preferential flow in a Swedish clay soil

    DEFF Research Database (Denmark)

    Mossadeghi-Björklund, M; Arvidsson, J.; Keller, Thomas

    2016-01-01

    in saturated hydraulic conductivity, air permeability and number of macropores at the second site. At this site, the traffic also significantly reduced the strength of preferential flow, presumably due to compaction-induced disruption of macropore continuity. In apparent contrast, some previous studies have shown......Soil compaction by vehicular traffic modifies the pore structure and soil hydraulic properties. These changes potentially influence the occurrence of preferential flow, which so far has been little studied. Our aim was to study the effect of compaction on soil hydraulic and transport properties...... transport derived from non-reactive tracer breakthrough curves and measurements of saturated hydraulic conductivity (Ks) and air permeability at the field moisture content (Ka). Although the traffic treatment did not cause any compaction effects at one of the two sites, it did result in significant reductions...

  16. Synthesis of soil-hydraulic properties and infiltration timescales in wildfire-affected soils

    Science.gov (United States)

    Ebel, Brian A.; Moody, John A.

    2017-01-01

    We collected soil-hydraulic property data from the literature for wildfire-affected soils, ash, and unburned soils. These data were used to calculate metrics and timescales of hydrologic response related to infiltration and surface runoff generation. Sorptivity (S) and wetting front potential (Ψf) were significantly different (lower) in burned soils compared with unburned soils, whereas field-saturated hydraulic conductivity (Kfs) was not significantly different. The magnitude and duration of the influence of capillarity during infiltration was greatly reduced in burned soils, causing faster ponding times in response to rainfall. Ash had large values of S and Kfs but moderate values of Ψf, compared with unburned and burned soils, indicating ash has long ponding times in response to rainfall. The ratio of S2/Kfs was nearly constant (~100 mm) for unburned soils but more variable in burned soils, suggesting that unburned soils have a balance between gravity and capillarity contributions to infiltration that may depend on soil organic matter, whereas in burned soils the gravity contribution to infiltration is greater. Changes in S and Kfs in burned soils act synergistically to reduce infiltration and accelerate and amplify surface runoff generation. Synthesis of these findings identifies three key areas for future research. First, short timescales of capillary influences on infiltration indicate the need for better measurements of infiltration at times less than 1 min to accurately characterize S in burned soils. Second, using parameter values, such as Ψf, from unburned areas could produce substantial errors in hydrologic modeling when used without adjustment for wildfire effects, causing parameter compensation and resulting underestimation of Kfs. Third, more thorough measurement campaigns that capture soil-structural changes, organic matter impacts, quantitative water repellency trends, and soil-water content along with soil-hydraulic properties could drive the

  17. Ethylene sensitivity and relative air humidity regulate root hydraulic properties in tomato plants.

    Science.gov (United States)

    Calvo-Polanco, Monica; Ibort, Pablo; Molina, Sonia; Ruiz-Lozano, Juan Manuel; Zamarreño, Angel María; García-Mina, Jose María; Aroca, Ricardo

    2017-11-01

    The effect of ethylene and its precursor ACC on root hydraulic properties, including aquaporin expression and abundance, is modulated by relative air humidity and plant sensitivity to ethylene. Relative air humidity (RH) is a main factor contributing to water balance in plants. Ethylene (ET) is known to be involved in the regulation of root water uptake and stomatal opening although its role on plant water balance under different RH is not very well understood. We studied, at the physiological, hormonal and molecular levels (aquaporins expression, abundance and phosphorylation state), the plant responses to exogenous 1-aminocyclopropane-1-carboxylic acid (ACC; precursor of ET) and 2-aminoisobutyric acid (AIB; inhibitor of ET biosynthesis), after 24 h of application to the roots of tomato wild type (WT) plants and its ET-insensitive never ripe (nr) mutant, at two RH levels: regular (50%) and close to saturation RH. Highest RH induced an increase of root hydraulic conductivity (Lp o ) of non-treated WT plants, and the opposite effect in nr mutants. The treatment with ACC reduced Lp o in WT plants at low RH and in nr plants at high RH. The application of AIB increased Lp o only in nr plants at high RH. In untreated plants, the RH treatment changed the abundance and phosphorylation of aquaporins that affected differently both genotypes according to their ET sensitivity. We show that RH is critical in regulating root hydraulic properties, and that Lp o is affected by the plant sensitivity to ET, and possibly to ACC, by regulating aquaporins expression and their phosphorylation status. These results incorporate the relationship between RH and ET in the response of Lp o to environmental changes.

  18. Variation of surficial soil hydraulic properties across land uses in the southern Blue Ridge Mountains, North Carolina, USA

    Science.gov (United States)

    Katie Price; C. Rhett Jackson; Albert J. Parker

    2010-01-01

    A full understanding of hydrologic response to human impact requires assessment of land-use impacts on key soil physical properties such as saturated hydraulic conductivity, bulk density, and moisture retention. Such properties have been shown to affect watershed hydrology by influencing pathways and transmission rates of precipitation to stream networks. Human land...

  19. Laboratory Characterization of Chemico-osmotic, Hydraulic and Diffusion Properties of Rocks: Apparatus Development

    International Nuclear Information System (INIS)

    Takeda, M.; Hiratsuka, T.; Ito, K.

    2009-01-01

    Excess fluid pressures induced by chemical osmosis in natural formations may have a significant influence on groundwater systems in a geological time scale. Examinations of the possibility and duration times require characterization of the chemico-osmotic, hydraulic and diffusion properties of representative formation media under field conditions. To develop a laboratory apparatus for chemical osmosis experiments that simulates in-situ conditions, typical litho-static and background pore pressures, a fundamental concept of the chemical osmosis experiment using a closed fluid circuit system (referred to as a closed system hereafter) was revisited. Coupled processes in the experiment were examined numerically. In preliminary experiments at atmospheric pressure a chemical osmosis experiment using the closed system was demonstrated. An approximation method for determining the chemico-osmotic property was attempted. Based on preliminary examinations, an experimental system capable of loading the confining and pore pressures on the sample was thus developed. (authors)

  20. Characterization of thermal, hydraulic, and gas diffusion properties in variably saturated sand grades

    DEFF Research Database (Denmark)

    Deepagoda Thuduwe Kankanamge Kelum, Chamindu; Smits, Kathleen; Ramirez, Jamie

    2016-01-01

    porous media transport properties, key transport parameters such as thermal conductivity and gas diffusivity are particularly important to describe temperature-induced heat transport and diffusion-controlled gas transport processes, respectively. Despite many experimental and numerical studies focusing...... transport models (thermal conductivity, saturated hydraulic conductivity, and gas diffusivity). An existing thermal conductivity model was improved to describe the distinct three-region behavior in observed thermal conductivity–water saturation relations. Applying widely used parametric models for saturated......Detailed characterization of partially saturated porous media is important for understanding and predicting vadose zone transport processes. While basic properties (e.g., particle- and pore-size distributions and soil-water retention) are, in general, essential prerequisites for characterizing most...

  1. Palaeo-adaptive properties of the xylem of Metasequoia: mechanical/hydraulic compromises.

    Science.gov (United States)

    Jagels, Richard; Visscher, George E; Lucas, John; Goodell, Barry

    2003-07-01

    The xylem of Metasequoia glyptostroboides Hu et Cheng is characterized by very low density (average specific gravity = 0.27) and tracheids with relatively large dimensions (length and diameter). The microfibril angle in the S2 layer of tracheid walls is large, even in outer rings, suggesting a cambial response to compressive rather than tensile stresses. In some cases, this compressive stress is converted to irreversible strain (plastic deformation), as evidenced by cell wall corrugations. The heartwood is moderately decay resistant, helping to prevent Brazier buckling. These xylem properties are referenced to the measured bending properties of modulus of rupture and modulus of elasticity, and compared with other low-to-moderate density conifers. The design strategy for Metasequoia is to produce a mechanically weak but hydraulically efficient xylem that permits rapid height growth and crown development to capture and dominate a wet site environment. The adaptability of these features to a high-latitude Eocene palaeoenvironment is discussed.

  2. Palaeo‐adaptive Properties of the Xylem of Metasequoia: Mechanical/Hydraulic Compromises

    Science.gov (United States)

    JAGELS, RICHARD; VISSCHER, GEORGE E.; LUCAS, JOHN; GOODELL, BARRY

    2003-01-01

    The xylem of Metasequoia glyptostroboides Hu et Cheng is characterized by very low density (average specific gravity = 0·27) and tracheids with relatively large dimensions (length and diameter). The microfibril angle in the S2 layer of tracheid walls is large, even in outer rings, suggesting a cambial response to compressive rather than tensile stresses. In some cases, this compressive stress is converted to irreversible strain (plastic deformation), as evidenced by cell wall corrugations. The heartwood is moderately decay resistant, helping to prevent Brazier buckling. These xylem properties are referenced to the measured bending properties of modulus of rupture and modulus of elasticity, and compared with other low‐to‐moderate density conifers. The design strategy for Metasequoia is to produce a mechanically weak but hydraulically efficient xylem that permits rapid height growth and crown development to capture and dominate a wet site environment. The adaptability of these features to a high‐latitude Eocene palaeoenvironment is discussed. PMID:12763758

  3. Electron relaxation properties of Ar magnetron plasmas

    Science.gov (United States)

    Xinjing, CAI; Xinxin, WANG; Xiaobing, ZOU

    2018-03-01

    An understanding of electron relaxation properties in plasmas is of importance in the application of magnetrons. An improved multi-term approximation of the Boltzmann equation is employed to study electron transport and relaxation properties in plasmas. Elastic, inelastic and nonconservative collisions between electrons and neutral particles are considered. The expressions for the transport coefficients are obtained using the expansion coefficients and the collision operator term. Numerical solutions of the matrix equations for the expansion coefficients are also investigated. Benchmark calculations of the Reid model are presented to demonstrate the accuracy of the improved multi-term approximation. It is shown that the two-term approximation is generally not accurate enough and the magnetic fields can reduce the anisotropy of the velocity distribution function. The electron relaxation properties of Ar plasmas in magnetrons for various magnetic fields are studied. It is demonstrated that the energy parameters change more slowly than the momentum parameters.

  4. Inverse estimation of soil hydraulic properties and water repellency following artificially induced drought stress

    Directory of Open Access Journals (Sweden)

    Filipović Vilim

    2018-06-01

    Full Text Available Global climate change is projected to continue and result in prolonged and more intense droughts, which can increase soil water repellency (SWR. To be able to estimate the consequences of SWR on vadose zone hydrology, it is important to determine soil hydraulic properties (SHP. Sequential modeling using HYDRUS (2D/3D was performed on an experimental field site with artificially imposed drought scenarios (moderately M and severely S stressed and a control plot. First, inverse modeling was performed for SHP estimation based on water and ethanol infiltration experimental data, followed by model validation on one selected irrigation event. Finally, hillslope modeling was performed to assess water balance for 2014. Results suggest that prolonged dry periods can increase soil water repellency. Inverse modeling was successfully performed for infiltrating liquids, water and ethanol, with R2 and model efficiency (E values both > 0.9. SHP derived from the ethanol measurements showed large differences in van Genuchten-Mualem (VGM parameters for the M and S plots compared to water infiltration experiments. SWR resulted in large saturated hydraulic conductivity (Ks decrease on the M and S scenarios. After validation of SHP on water content measurements during a selected irrigation event, one year simulations (2014 showed that water repellency increases surface runoff in non-structured soils at hillslopes.

  5. Design of a welltest for determining two-phase hydraulic properties

    International Nuclear Information System (INIS)

    Finsterle, S.

    1995-01-01

    This report describes the design of a well test to determine two-phase hydraulic properties of a low permeability, low porosity formation. Estimation of gas-related parameters in such formations is difficult using standard pumping tests mainly because of the strong fluctuations in the pressure and flow rate data which are a consequence of gas bubbles evolving in the test interval. Even more important is the fact that the data do not allow distinguishing among alternative conceptual models. The estimated parameters are therefore uncertain, highly correlated, and ambiguous. In this study we examine a test sequence that could be appended to a standard hydraulic testing program. It is shown that performing a series of water and gas injection tests significantly reduces parameter correlations, thus decreasing the estimation error. Moreover, the extended test sequence makes possible the identification of the model that describes relative permeabilities and capillary pressures. This requires, however, that data of high accuracy are collected under controlled test conditions. The purpose of this report is to describe the modeling approach, assumptions and limitations of the procedure, and to provide practical recommendations for future testing

  6. FORTRAN routines for calculating water thermodynamic properties for use in transient thermal-hydraulics codes

    International Nuclear Information System (INIS)

    Green, C.

    1979-12-01

    A set of FORTRAN subroutines is described for calculating water thermodynamic properties. These were written for use in a transient thermal-hydraulics program, where speed of execution is paramount. The choice of which subroutines to optimise depends on the primary variables in the thermal-hydraulics code. In this particular case the subroutine which has been optimised is the one which calculates pressure and specific enthalpy given the specific volume and the specific internal energy. Another two subroutines are described which complete a self-consistent set. These calculate the specific volume and the temperature given the pressure and the specific enthalpy, and the specific enthalpy and the specific volume given the pressure and the temperature (or the quality). The accuracy is high near the saturation lines, typically less than 1% relative error, and decreases as the fluid becomes more subcooled in the liquid region or more superheated in the steam region. This behaviour is inherent in the method which uses quantities defined on the saturation lines and assumes that certain derivatives are constant for excursions away from these saturation lines. The accuracy and speed of the subroutines are discussed in detail in this report. (author)

  7. Hydraulic properties of groundwater systems in the saprolite and sediments of the wheatbelt, Western Australia

    Science.gov (United States)

    George, Richard J.

    1992-01-01

    Hydraulic properties of deeply weathered basement rocks and variably weathered sedimentary materials were measured by pumping and slug-test methods. Results from over 200 bores in 13 catchments, and eight pumping-test sites across the eastern and central wheatbelt of Western Australia were analysed. Measurements were made in each of the major lithological units, and emphasis placed on a ubiquitous basal saprolite aquifer. Comparisons were made between alternative drilling and analytical procedures to determine the most appropriate methods of investigation. Aquifers with an average hydraulic conductivity of 0.55 m day -1 occur in variably weathered Cainozoic sediments and poorly weathered saprolite grits (0.57 m day -1). These aquifers are separated by an aquitard (0.065 m day -1) comprising the mottled and pallid zones of the deeply weathered profile. Locally higher values of hydraulic conductivity occur in the saprolite aquifer, although after prolonged periods of pumping the values decrease until they are similar to those obtained from the slug-test methods. Hydraulic conductivities measured in bores drilled with rotary auger rigs were approximately an order of magnitude lower than those measured in the same material with bores drilled by the rotary air-blast method. Wheatbelt aquifers range from predominantly unconfined (Cainozoic sediments), to confined (saprolite grit aquifer). The poorly weathered saprolite grit aquifer has moderate to high transmissivities (4-50 m 2 day -1) and is capable of producing from less than 5 to over 230 kl day -1 of ground water, which is often of a quality suitable for livestock. Yields are influenced by the variability in the permeability of isovolumetrically weathered materials from which the aquifer is derived. The overlying aquitard has a low transmissivity (< 1 m 2 day -1), especially when deeply weathered, indurated and silicified. The transmissivity of the variably weathered sedimentary materials ranges from less than 0.5 m

  8. Aquifer test to determine hydraulic properties of the Elm aquifer near Aberdeen, South Dakota

    Science.gov (United States)

    Schaap, Bryan D.

    2000-01-01

    The Elm aquifer, which consists of sandy and gravelly glacial-outwash deposits, is present in several counties in northeastern South Dakota. An aquifer test was conducted northeast of Aberdeen during the fall of 1999 to determine the hydraulic properties of the Elm aquifer in that area. An improved understanding of the properties of the aquifer will be useful in the possible development of the aquifer as a water resource. Historical water-level data indicate that the saturated thickness of the Elm aquifer can change considerably over time. From September 1977 through November 1985, water levels at three wells completed in the Elm aquifer near the aquifer test site varied by 5.1 ft, 9.50 ft, and 11.1 ft. From June 1982 through October 1999, water levels at five wells completed in the Elm aquifer near the aquifer test site varied by 8.7 ft, 11.4 ft, 13.2 ft, 13.8 ft, and 19.7 ft. The water levels during the fall of 1999 were among the highest on record, so the aquifer test was affected by portions of the aquifer being saturated that might not be saturated during drier times. The aquifer test was conducted using five existing wells that had been installed prior to this study. Well A, the pumped well, has an operating irrigation pump and is centrally located among the wells. Wells B, C, D, and E are about 70 ft, 1,390 ft, 2,200 ft, and 3,100 ft, respectively, in different directions from Well A. Using vented pressure transducers and programmable data loggers, water-level data were collected at the five wells prior to, during, and after the pumping, which started on November 19, 1999, and continued a little over 72 hours. Based on available drilling logs, the Elm aquifer near the test area was assumed to be unconfined. The Neuman (1974) method theoretical response curves that most closely match the observed water-level changes at Wells A and B were calculated using software (AQTESOLV for Windows Version 2.13-Professional) developed by Glenn M. Duffield of Hydro

  9. Assessing Tillage Effects on Soil Hydraulic Properties via Inverse Parameter Estimation using Tension Infiltrometry

    Science.gov (United States)

    Schwen, Andreas; Bodner, Gernot; Loiskandl, Willibald

    2010-05-01

    Hydraulic properties are key factors controlling water and solute movement in soils. While several recent studies have focused on the assessment of the spatial variability of hydraulic properties, the temporal dynamics are commonly not taken into account, primarily because its measurement is costly and time-consuming. However, there is extensive empirical evidence that these properties are subject to temporal changes, particularly in the near-saturated range where soil structure strongly influences water flow. One main source of temporal variability is soil tillage. It can improve macroporosity by loosening the soil and thereby changing the pore-size distribution. Since these modifications are quite unstable over time, the pore space partially collapses after tillage. This effect should be largest for conventional tillage (CT), where the soil is ploughed after harvest every year. Assessing the effect of different tillage treatments on the temporal variability of hydraulic properties requires adequate measurement techniques. Tension infiltrometry has become a popular and convenient method providing not only the hydraulic conductivity function but also the soil rentention properties. The inverse estimation of parameters from infiltration measurements remains challenging, despite some progress since the first approach of Šimůnek et al. (1998). Measured data like the cumulative infiltration, the initial and final volumetric water content, as well as independently measured retention data from soil core analysis with laboratory methods, have to be considered to find an optimum solution describing the soil's pore space. In the present study we analysed tension infiltration measurements obtained several times between August 2008 and December 2009 on an arable field in the Moravian Basin, Lower Austria. The tillage treatments were conventional tillage including ploughing (CT), reduced tillage with chisel only (RT), and no-tillage treatment using a direct seeding

  10. Changes in soil hydraulic properties caused by construction of a simulated waste trench at the Idaho National Engineering Laboratory, Idaho

    International Nuclear Information System (INIS)

    Shakofsky, S.

    1995-03-01

    In order to assess the effect of filled waste disposal trenches on transport-governing soil properties, comparisons were made between profiles of undisturbed soil and disturbed soil in a simulated waste trench. The changes in soil properties induced by the construction of a simulated waste trench were measured near the Radioactive Waste Management Complex at the Idaho National Engineering Laboratory (INEL) in the semiarid southeast region of Idaho. The soil samples were collected, using a hydraulically-driven sampler to minimize sample disruption, from both a simulated waste trench and an undisturbed area nearby. Results show that the undisturbed profile has distinct layers whose properties differ significantly, whereas the soil profile in the simulated waste trench is, by comparison, homogeneous. Porosity was increased in the disturbed cores, and, correspondingly, saturated hydraulic conductivities were on average three times higher. With higher soil-moisture contents (greater than 0.32), unsaturated hydraulic conductivities for the undisturbed cores were typically greater than those for the disturbed cores. With lower moisture contents, most of the disturbed cores had greater hydraulic conductivities. The observed differences in hydraulic conductivities are interpreted and discussed as changes in the soil pore geometry

  11. Suitability of parametric models to describe the hydraulic properties of an unsaturated coarse sand and gravel

    Science.gov (United States)

    Mace, Andy; Rudolph, David L.; Kachanoski , R. Gary

    1998-01-01

    The performance of parametric models used to describe soil water retention (SWR) properties and predict unsaturated hydraulic conductivity (K) as a function of volumetric water content (θ) is examined using SWR and K(θ) data for coarse sand and gravel sediments. Six 70 cm long, 10 cm diameter cores of glacial outwash were instrumented at eight depths with porous cup ten-siometers and time domain reflectometry probes to measure soil water pressure head (h) and θ, respectively, for seven unsaturated and one saturated steady-state flow conditions. Forty-two θ(h) and K(θ) relationships were measured from the infiltration tests on the cores. Of the four SWR models compared in the analysis, the van Genuchten (1980) equation with parameters m and n restricted according to the Mualem (m = 1 - 1/n) criterion is best suited to describe the θ(h) relationships. The accuracy of two models that predict K(θ) using parameter values derived from the SWR models was also evaluated. The model developed by van Genuchten (1980) based on the theoretical expression of Mualem (1976) predicted K(θ) more accurately than the van Genuchten (1980) model based on the theory of Burdine (1953). A sensitivity analysis shows that more accurate predictions of K(θ) are achieved using SWR model parameters derived with residual water content (θr) specified according to independent measurements of θ at values of h where θ/h ∼ 0 rather than model-fit θr values. The accuracy of the model K(θ) function improves markedly when at least one value of unsaturated K is used to scale the K(θ) function predicted using the saturated K. The results of this investigation indicate that the hydraulic properties of coarse-grained sediments can be accurately described using the parametric models. In addition, data collection efforts should focus on measuring at least one value of unsaturated hydraulic conductivity and as complete a set of SWR data as possible, particularly in the dry range.

  12. Linking hydraulic properties of fire-affected soils to infiltration and water repellency

    Science.gov (United States)

    Moody, John A.; Kinner, David A.; Úbeda, Xavier

    2009-12-01

    SummaryHeat from wildfires can produce a two-layer system composed of extremely dry soil covered by a layer of ash, which when subjected to rainfall, may produce extreme floods. To understand the soil physics controlling runoff for these initial conditions, we used a small, portable disk infiltrometer to measure two hydraulic properties: (1) near-saturated hydraulic conductivity, K f and (2) sorptivity, S( θ i), as a function of initial soil moisture content, θ i, ranging from extremely dry conditions ( θ i ash, reference soils, soils unaffected by fire, and fire-affected soils. Each has a different degrees of water repellency that influences K f and S( θ i). Values of K f ranged from 4.5 × 10 -3 to 53 × 10 -3 cm s -1 for ash; from 0.93 × 10 -3 to 130 × 10 -3 cm s -1 for reference soils; and from 0.86 × 10 -3 to 3.0 × 10 -3 cm s -1, for soil unaffected by fire, which had the lowest values of K f. Measurements indicated that S( θ i) could be represented by an empirical non-linear function of θ i with a sorptivity maximum of 0.18-0.20 cm s -0.5, between 0.03 and 0.08 cm 3 cm -3. This functional form differs from the monotonically decreasing non-linear functions often used to represent S( θ i) for rainfall-runoff modeling. The sorptivity maximum may represent the combined effects of gravity, capillarity, and adsorption in a transitional domain corresponding to extremely dry soil, and moreover, it may explain the observed non-linear behavior, and the critical soil-moisture threshold of water repellent soils. Laboratory measurements of K f and S( θ i) are the first for ash and fire-affected soil, but additional measurements are needed of these hydraulic properties for in situ fire-affected soils. They provide insight into water repellency behavior and infiltration under extremely dry conditions. Most importantly, they indicate how existing rainfall-runoff models can be modified to accommodate a possible two-layer system in extremely dry conditions. These

  13. Analysis of soil hydraulic and thermal properties for land surface modeling over the Tibetan Plateau

    Science.gov (United States)

    Zhao, Hong; Zeng, Yijian; Lv, Shaoning; Su, Zhongbo

    2018-06-01

    Soil information (e.g., soil texture and porosity) from existing soil datasets over the Tibetan Plateau (TP) is claimed to be inadequate and even inaccurate for determining soil hydraulic properties (SHP) and soil thermal properties (STP), hampering the understanding of the land surface process over TP. As the soil varies across three dominant climate zones (i.e., arid, semi-arid and subhumid) over the TP, the associated SHP and STP are expected to vary correspondingly. To obtain an explicit insight into the soil hydrothermal properties over the TP, in situ and laboratory measurements of over 30 soil property profiles were obtained across the climate zones. Results show that porosity and SHP and STP differ across the climate zones and strongly depend on soil texture. In particular, it is proposed that gravel impact on porosity and SHP and STP are both considered in the arid zone and in deep layers of the semi-arid zone. Parameterization schemes for porosity, SHP and STP are investigated and compared with measurements taken. To determine the SHP, including soil water retention curves (SWRCs) and hydraulic conductivities, the pedotransfer functions (PTFs) developed by Cosby et al. (1984) (for the Clapp-Hornberger model) and the continuous PTFs given by Wösten et al. (1999) (for the Van Genuchten-Mualem model) are recommended. The STP parameterization scheme proposed by Farouki (1981) based on the model of De Vries (1963) performed better across the TP than other schemes. Using the parameterization schemes mentioned above, the uncertainties of five existing regional and global soil datasets and their derived SHP and STP over the TP are quantified through comparison with in situ and laboratory measurements. The measured soil physical properties dataset is available at https://data.4tu.nl/repository/uuid:c712717c-6ac0-47ff-9d58-97f88082ddc0" target="_blank">https://data.4tu.nl/repository/uuid:c712717c-6ac0-47ff-9d58-97f88082ddc0.

  14. Magnetic properties of confined electron gas

    International Nuclear Information System (INIS)

    Felicio, J.R.D. de.

    1977-04-01

    The effects of confinement by a two or three-dimensional harmonic potential on the magnetic properties of a free electron gas are investigated using the grand-canonical ensemble framework. At high temperatures an extension of Darwin's, Felderhof and Raval's works is made taking into account spin effects at low temperature. A comprehensive description of the magnetic properties of a free electron gas is given. The system is regarded as finite, but the boundary condition psi=0 is not introduced. The limits of weak and strong confinement are also analysed [pt

  15. Use of LANDSAT images of vegetation cover to estimate effective hydraulic properties of soils

    Science.gov (United States)

    Eagleson, Peter S.; Jasinski, Michael F.

    1988-01-01

    The estimation of the spatially variable surface moisture and heat fluxes of natural, semivegetated landscapes is difficult due to the highly random nature of the vegetation (e.g., plant species, density, and stress) and the soil (e.g., moisture content, and soil hydraulic conductivity). The solution to that problem lies, in part, in the use of satellite remotely sensed data, and in the preparation of those data in terms of the physical properties of the plant and soil. The work was focused on the development and testing of a stochastic geometric canopy-soil reflectance model, which can be applied to the physically-based interpretation of LANDSAT images. The model conceptualizes the landscape as a stochastic surface with bulk plant and soil reflective properties. The model is particularly suited for regional scale investigations where the quantification of the bulk landscape properties, such as fractional vegetation cover, is important on a pixel by pixel basis. A summary of the theoretical analysis and the preliminary testing of the model with actual aerial radiometric data is provided.

  16. Bayesian estimation of the hydraulic and solute transport properties of a small-scale unsaturated soil column

    NARCIS (Netherlands)

    Moreira, Paulo H S; Van Genuchten, Martinus Th; Orlande, Helcio R B; Cotta, Renato M.

    2016-01-01

    In this study the hydraulic and solute transport properties of an unsaturated soil were estimated simultaneously from a relatively simple small-scale laboratory column infiltration/outflow experiment. As governing equations we used the Richards equation for variably saturated flow and a physical

  17. Quantifying in situ phenotypic variability in the hydraulic properties of four tree species across their distribution range in Europe

    NARCIS (Netherlands)

    González-Muñoz, N.; Sterck, F.; Torres-Ruiz, J.M.; Petit, G.; Cochard, H.; Arx, von G.; Lintunen, A.; Caldeira, M.C.; Capdeville, G.; Copini, P.; Gebauer, R.; Grönlund, L.; Hölttä, T.; Lobo-do-Vale, R.; Peltoniemi, M.; Stritih, A.; Urban, J.; Delzon, S.

    2018-01-01

    Many studies have reported that hydraulic properties vary considerably between tree species, but little is known about their intraspecific variation and, therefore, their capacity to adapt to a warmer and drier climate. Here, we quantify phenotypic divergence and clinal variation for embolism

  18. Dictionary of control technology. Pneumatics, hydraulics, electronics. English-German, German-English. Woerterbuch der Steuerungstechnik. Pneumatik, Hydraulik, Elektronik. Deutsch-Englisch, Englisch-Deutsch

    Energy Technology Data Exchange (ETDEWEB)

    Budd, F

    1988-01-01

    The English-German/German-English dictionary covers the complete field of control technology present in industry today. The subjects represent appropriate terms from hydraulics, pneumatics, electrical engineering, electronics, data processing, administration, and training. (DG).

  19. Electronic and optical properties of lead iodide

    DEFF Research Database (Denmark)

    Ahuja, R.; Arwin, H.; Ferreira da Silva, A.

    2002-01-01

    The electronic properties and the optical absorption of lead iodide (PbI2) have been investigated experimentally by means of optical absorption and spectroscopic ellipsometry, and theoretically by a full-potential linear muffin-tin-orbital method. PbI2 has been recognized as a very promising...

  20. Effects of non-linearity of material properties on the coupled mechanical-hydraulic-thermal behavior in rock mass

    International Nuclear Information System (INIS)

    Kobayashi, Akira; Ohnishi, Yuzo

    1986-01-01

    The nonlinearity of material properties used in the coupled mechanical-hydraulic-thermal analysis is investigated from the past literatures. Some nonlinearity that is respectively effective for the system is introduced into our computer code for analysis such a coupling problem by using finite element method. And the effects of nonlinearity of each material property on the coupled behavior in rock mass are examined for simple model and Stripa project model with the computer code. (author)

  1. Petrophysics at the rock matrix scale: hydraulic properties and petrographic interpretation

    International Nuclear Information System (INIS)

    Montoto, M.

    2003-01-01

    The main objective of this publication is to review, summarize and make comprehensive the hydraulic properties of rocks, at the rock matrix or in tact rock scale. Also to describe how to petrographically interpret those properties. For this purpose, the procedures for the characterization and visualisation of the rock-forming components and in special the water path-ways at that scale are explained. Further more, to establish a methodological approach for an appropriate petrographic interpretation of all the mentioned properties is intended. This Technical Report is applied to the geological solution for the final disposal of high level radioactive wastes. In any case, most of the aspects covered here are of scientific and technical interest for any researcher interested in the behaviour of water in rocks and vice versa, also in the potential fluid- rock interactions. The document is divided into six Chapters, mainly theoretical and methodological, and six Appen - dixes, more focussed to practical tests and procedures for rock characterization. Two significant rock types in high level radioactive waste, HLW, granites and clays, have been used for illustrating most of the examples here included. Under a wide geological perspective, it must be stated that in any geological scenario two different systems or scales coexist; the rock massif (with fractures of about m to km) and the rock matrix (with internal discontinuities such as fissures and cracks to the order of Fm to dm). Their different behaviour is considered in Chapter 1 as well as the specific role played by the rock matrix in the long- and short-term period. General considerations about physical properties of rocks and comparative advantages and disadvantages of the main candidate rocks for radioactive repositories are also included. (Author)

  2. Design and Construction of Experiment for Direct Electron Irradiation of Uranyl Sulfate Solution: Bubble Formation and Thermal Hydraulics Studies

    Energy Technology Data Exchange (ETDEWEB)

    Chemerisov, Sergey [Argonne National Lab. (ANL), Argonne, IL (United States); Gromov, Roman [Argonne National Lab. (ANL), Argonne, IL (United States); Makarashvili, Vakho [Argonne National Lab. (ANL), Argonne, IL (United States); Heltemes, Thad [Argonne National Lab. (ANL), Argonne, IL (United States); Sun, Zaijing [Argonne National Lab. (ANL), Argonne, IL (United States); Wardle, Kent E. [Argonne National Lab. (ANL), Argonne, IL (United States); Bailey, James [Argonne National Lab. (ANL), Argonne, IL (United States); Quigley, Kevin [Argonne National Lab. (ANL), Argonne, IL (United States); Stepinski, Dominique [Argonne National Lab. (ANL), Argonne, IL (United States); Vandegrift, George [Argonne National Lab. (ANL), Argonne, IL (United States)

    2014-10-01

    Argonne is assisting SHINE Medical Technologies in developing SHINE, a system for producing fission-product 99Mo using a D/T-accelerator to produce fission in a non-critical target solution of aqueous uranyl sulfate. We have developed an experimental setup for studying thermal-hydraulics and bubble formation in the uranyl sulfate solution to simulate conditions expected in the SHINE target solution during irradiation. A direct electron beam from the linac accelerator will be used to irradiate a 20 L solution (sector of the solution vessel). Because the solution will undergo radiolytic decomposition, we will be able to study bubble formation and dynamics and effects of convection and temperature on bubble behavior. These experiments will serve as a verification/ validation tool for the thermal-hydraulic model. Utilization of the direct electron beam for irradiation allows homogeneous heating of a large solution volume and simplifies observation of the bubble dynamics simultaneously with thermal-hydraulic data collection, which will complement data collected during operation of the miniSHINE experiment. Irradiation will be conducted using a 30-40 MeV electron beam from the high-power linac accelerator. The total electron-beam power will be 20 kW, which will yield a power density on the order of 1 kW/L. The solution volume will be cooled on the front and back surfaces and central tube to mimic the geometry of the proposed SHINE solution vessel. Also, multiple thermocouples will be inserted into the solution vessel to map thermal profiles. The experimental design is now complete, and installation and testing are in progress.

  3. Electric and Hydraulic Properties of Carbon Felt Immersed in Different Dielectric Liquids

    Directory of Open Access Journals (Sweden)

    Alexey Kossenko

    2018-04-01

    Full Text Available Electroconductive carbon felt (CF material, having a permeable structure and significant electroconductive surface, is widely used for electrodes in numerous electrochemical applications such as redox flow batteries, fuel cells, electrochemical desalination apparatus, etc. The internal structure of CF is composed of different lengths of carbon filaments bonded together. This structure creates a large number of stochastically oriented and stochastically linked channels that have different lengths and cross sections. Therefore, the CF hydraulic permeability is similar to that of porous media and is determined by the internal empty volume and arrangement of carbon fibers. Its electroconductivity is ensured by the conductivity of the carbon filaments and by the electrical interconnections between fibers. Both of these properties (permeability and electrical conductivity are extremely important for the efficient functioning of electrochemical devices. However, their influences counter each other during CF compressing. Increasing the stress on a felt element provides supplementary electrical contacts of carbon filaments, which lead to improved electrical conductivity. Thus, the active surface of the felt electrode is increased, which also boosts redox chemical reactions. On the other hand, compressed felt possesses reduced hydrodynamic permeability as a result of a diminished free volume of porous media and intrinsic channels. This causes increasing hydrodynamic expenditures of electrolyte pumping through electrodes and lessened cell (battery efficiency. The designer of specific electrochemical systems has to take into account both of these properties when selecting the optimal construction for a cell. This article presents the results of measurements and novel approximating expressions of electrical and hydraulic characteristics of a CF during its compression. Since electrical conductivity plays a determining role in providing electrochemical

  4. Electric and Hydraulic Properties of Carbon Felt Immersed in Different Dielectric Liquids.

    Science.gov (United States)

    Kossenko, Alexey; Lugovskoy, Svetlana; Averbukh, Moshe

    2018-04-23

    Electroconductive carbon felt (CF) material, having a permeable structure and significant electroconductive surface, is widely used for electrodes in numerous electrochemical applications such as redox flow batteries, fuel cells, electrochemical desalination apparatus, etc. The internal structure of CF is composed of different lengths of carbon filaments bonded together. This structure creates a large number of stochastically oriented and stochastically linked channels that have different lengths and cross sections. Therefore, the CF hydraulic permeability is similar to that of porous media and is determined by the internal empty volume and arrangement of carbon fibers. Its electroconductivity is ensured by the conductivity of the carbon filaments and by the electrical interconnections between fibers. Both of these properties (permeability and electrical conductivity) are extremely important for the efficient functioning of electrochemical devices. However, their influences counter each other during CF compressing. Increasing the stress on a felt element provides supplementary electrical contacts of carbon filaments, which lead to improved electrical conductivity. Thus, the active surface of the felt electrode is increased, which also boosts redox chemical reactions. On the other hand, compressed felt possesses reduced hydrodynamic permeability as a result of a diminished free volume of porous media and intrinsic channels. This causes increasing hydrodynamic expenditures of electrolyte pumping through electrodes and lessened cell (battery) efficiency. The designer of specific electrochemical systems has to take into account both of these properties when selecting the optimal construction for a cell. This article presents the results of measurements and novel approximating expressions of electrical and hydraulic characteristics of a CF during its compression. Since electrical conductivity plays a determining role in providing electrochemical reactions, it was

  5. Electronic properties of graphene antidot lattices

    DEFF Research Database (Denmark)

    Fürst, Joachim Alexander; Pedersen, Jesper Goor; Flindt, C.

    2009-01-01

    Graphene antidot lattices constitute a novel class of nano-engineered graphene devices with controllable electronic and optical properties. An antidot lattice consists of a periodic array of holes that causes a band gap to open up around the Fermi level, turning graphene from a semimetal...... into a semiconductor. We calculate the electronic band structure of graphene antidot lattices using three numerical approaches with different levels of computational complexity, efficiency and accuracy. Fast finite-element solutions of the Dirac equation capture qualitative features of the band structure, while full...

  6. Quasi-open loop hydraulic ram incremental actuator with power conserving properties

    International Nuclear Information System (INIS)

    Raymond, E.T.; Robinson, C.W.

    1982-01-01

    An electric stepping motor, operated by command signals from a computer or a microprocessor, rotates a rotary control member of a distributor valve, for sequencing hydraulic pressure and hence flow to the cylinders of an axial piston hydraulic machine. A group of the cylinders are subjected to pressure and flow and the remaining cylinders are vented to a return line. Rotation of the rotary control valve member sequences pressurization by progressively adding a cylinder to the forward edge to the pressurized group and removing a cylinder from the trailing edge of the pressurized group. The double ended pistons of each new pressurized group function to drive a wobble plate into a new position of equilibrium and then hold it in such position until another change in the makeup of the pressurized group. These pistons also displace hydraulic fluid from the opposite cylinder head which serves as the output of a pumping element. An increment of displacement of the wobble plate occurs in direct response to each command pulse that is received by the stepping motor. Wobble plate displacement drives the rotary valve of the hydraulic power transfer unit, causing it to transfer hydraulic fluid from a first expansible chamber on one side of a piston in a hydraulic ram to a second expansible chamber on the opposite side of the piston. Reverse drive of the hydraulic power transfer unit reverses the direction of transfer of hydraulic fluid between the two expansible chambers

  7. Hydraulic properties and scale effects investigation in regional rock aquifers, south-western Quebec, Canada

    Science.gov (United States)

    Nastev, M.; Savard, M. M.; Lapcevic, P.; Lefebvre, R.; Martel, R.

    This paper reports on the characterization of hydraulic properties of regional rock aquifers carried out within a groundwater resources assessment project in the St. Lawrence Lowlands of south-western Quebec. To understand the aquifer behavior at both the fracture level and at field scale, hydraulic investigations were carried out using various aquifer tests. The groundwater flow at the local scale is controlled mostly by the fracture system. Results of the constant-head injection tests show a weak decreasing trend of hydraulic conductivity with depth indicating that a major part of the groundwater flow occurs in the first meters of the rock sequence. At the regional scale, the equivalent porous media approach is applicable. The hydraulic conductivity measurements were correlated to the scale of the aquifer tests expressed with the investigated aquifer volume. A simple interpolation procedure for the hydraulic conductivity field was developed based on the distance between field measurements and the tested aquifer volumes. The regional distribution of the hydraulic conductivity for the major fractured aquifer units indicates that dolostone is the most permeable whereas sandstone and crystalline rocks are the least permeable units. Este artículo trata de la caracterización de las propiedades hidráulicas en acuíferos regionales rocosos, la cual se llevó a cabo dentro del proyecto de evaluación de los recursos de agua subterránea en St. Lawrence Lowlands al suroeste de Quebec. Para entender el comportamiento del acuífero tanto a nivel de fractura como a escala del campo, se ejecutaron investigaciones hidráulicas usando varias pruebas de acuífero. El flujo del agua subterránea a escala local está controlado principalmente por el sistema de fracturas. Los resultados de las pruebas de inyección con cabeza constante muestran una tendencia decreciente débil de la conductividad hidráulica con la profundidad, indicando que la mayor parte del flujo de agua

  8. Electronic transport properties of phenylacetylene molecular junctions

    International Nuclear Information System (INIS)

    Liu Wen; Cheng Jie; Yan Cui-Xia; Li Hai-Hong; Wang Yong-Juan; Liu De-Sheng

    2011-01-01

    Electronic transport properties of a kind of phenylacetylene compound— (4-mercaptophenyl)-phenylacetylene are calculated by the first-principles method in the framework of density functional theory and the nonequilibrium Green's function formalism. The molecular junction shows an obvious rectifying behaviour at a bias voltage larger than 1.0 V. The rectification effect is attributed to the asymmetry of the interface contacts. Moreover, at a bias voltage larger than 2.0 V, which is not referred to in a relevant experiment [Fang L, Park J Y, Ma H, Jen A K Y and Salmeron M 2007 Langmuir 23 11522], we find a negative differential resistance phenomenon. The negative differential resistance effect may originate from the change of the delocalization degree of the molecular orbitals induced by the bias. (condensed matter: electronic structure, electrical, magnetic, and optical properties)

  9. Hydraulic properties of alluvial soil of the ebb tide of Flocos Dam in Tuparetama - Pernambuco State, Brazil

    International Nuclear Information System (INIS)

    Souza, Eduardo S.; Montenegro, Abelardo A.A.

    2000-01-01

    The soil hydraulic properties, i.e., the soil-moisture characteristic curve, Θ(h), and the hydraulic conductivity, K(h), were determined for an alluvial soil from Flocos Dam, located at Tuparetama, state of Pernambuco, Brazil. The soil characteristic curves were determined through the functional adjustment, proposed by van Genuchten, to the values obtained in field measurements with tensiometers and neutron probes, and to values obtained in laboratory in a 'pressure pan' with a porous plate. The infiltration tests were performed for the depths of 0, 20, 40, 60, and 80 cm using an infiltration disk with a diameter of 80 mm, applying water at a potential of 0, -3, -6 and -12 cm. The hydraulic conductivity of the soil was determined through the VG method proposed by Zhang, which requires the previous knowledge of the soil-moisture characteristic curve. The determination of the soil-moisture characteristic curve by the two methods, using field or laboratory measurements, yielded similar results within the range of common pressure, from -300 to -100 cm, and indicates that the experimental results are sound and coherent. The heterogeneity of soil hydraulic properties within the soil profile can be explained by the variability in soil texture and dry bulk density throughout the profile. By using the diameter of the infiltration disk and the pressure applied to the soil, it was possible to characterize the porous matrix within the clayey layer. (author)

  10. Electronic Properties of Disclinations in Carbon Nanostructures

    International Nuclear Information System (INIS)

    Sitenko, Yu.A.; Vlasii, N.D.; Sitenko, Yu.A.; Vlasii, N.D.

    2007-01-01

    The recent synthesis of strictly two-dimensional atomic crystals (monolayers of carbon atoms) is promising a wealth of new phenomena and possible applications in technology and industry. Such materials are characterized by the Dirac-type spectrum of quasiparticle excitations, yielding a unique example of the truly two-dimensional 'relativistic' electronic system which, in the presence of disclinations, possesses rather unusual properties. We consider the influence of disclinations on densities of states and induced vacuum quantum numbers in grapheme

  11. A parametric study on hydraulic conductivity and self-healing properties of geotextile clay liners used in landfills.

    Science.gov (United States)

    Parastar, Fatemeh; Hejazi, Sayyed Mahdi; Sheikhzadeh, Mohammad; Alirezazadeh, Azam

    2017-11-01

    Nowadays, the raise of excessive generation of solid wastes is considered as a major environmental concern due to the fast global population growth. The contamination of groundwater from landfill leachate compromises every living creature. Geotextile clay liner (GCL) that has a sandwich structure with two fibrous sheets and a clay core can be considered as an engineered solution to prevent hazardous pollutants from entering into groundwater. The main objective of the present study is therefore to enhance the performance of GCL structures. By changing some structural factors such as clay type (sodium vs. calcium bentonite), areal density of clay, density of geotextile, geotextile thickness, texture type (woven vs. nonwoven), and needle punching density a series of GCL samples were fabricated. Water pressure, type of cover soil and overburden pressure were the environmental variables, while the response variables were hydraulic conductivity and self-healing rate of GCL. Rigid wall constant head permeability test was conducted on all the samples. The outlet water flow was measured and evaluated at a defined time period and the hydraulic conductivity was determined for each sample. In the final stage, self-healing properties of samples were investigated and an analytical model was used to explain the results. It was found that higher Montmorillonite content of clay, overburden pressure, needle punching density and areal density of clay poses better self-healing properties and less hydraulic conductivity, meanwhile, an increase in water pressure increases the hydraulic conductivity. Moreover, the observations were aligned with the analytical model and indicated that higher fiber inclusion as a result of higher needle-punching density produces closer contact between bentonite and fibers, reduces hydraulic conductivity and increases self-healing properties. Copyright © 2017 Elsevier Ltd. All rights reserved.

  12. Effect of pore structure on chemico-osmotic, diffusion and hydraulic properties of mud-stones

    International Nuclear Information System (INIS)

    Takeda, M.; Manaka, M.; Ito, K.; Miyoshi, S.; Tokunaga, T.

    2012-01-01

    Document available in extended abstract form only. An in-situ experiment by Neuzil (2000) has obtained the substantial proof of chemical osmosis in natural clayey formation. Chemical osmosis in clayey formations has thus received attention in recent years in the context of geological disposal of radioactive waste. Chemical osmosis is the diffusion of water through a semi-permeable membrane driven by the difference of chemical potentials between solutions to compensate the difference of water potentials, increasing the other potential differences, such as the pressure difference. Accordingly, the chemical osmosis could generate localized, abnormal fluid pressures in geological formations where formation media act as semi-permeable membranes and groundwater salinity is not uniform. Without taking account of the chemical osmosis, groundwater flow modeling may mislead the prediction of the groundwater flow direction. Therefore the possibility of chemical osmosis needs to be identified for potential host formations for radioactive waste repositories. The chemico-osmotic property of formation media is an essential parameter to identify the possibility of chemical osmosis in the formation; however, the diffusion and hydraulic properties are also fundamental parameters to estimate the duration of chemical osmosis since they control the spatial variation of salinity and the dissipation of osmotically induced pressures. In order to obtain the chemico-osmotic, diffusion and hydraulic parameters from a rock sample, this study developed a laboratory experimental system capable of performing chemical osmosis and permeability experiments. A series of experiments were performed on mud-stones. The chemico-osmotic parameter of each rock sample was further interpreted by the osmotic efficiency model proposed by Bresler (1973) to examine the pore structure inherent in rocks. Diatomaceous and siliceous mud-stone samples were obtained from drill cores taken from the Koetoi and Wakkanai

  13. Physical soil properties and slope treatments effects on hydraulic excavator productivity for forest road construction.

    Science.gov (United States)

    Parsakho, Aidin; Hosseini, Seyed Ataollah; Jalilvand, Hamid; Lotfalian, Majid

    2008-06-01

    Effects of moisture, porosity and soil bulk density properties, grubbing time and terrain side slopes on pc 220 komatsu hydraulic excavator productivity were investigated in Miana forests road construction project which located in the northern forest of Iran. Soil moisture and porosity determined by samples were taken from undisturbed soil. The elements of daily works were measured with a digital stop watch and video camera in 14 observations (days). The road length and cross section profiles after each 20 m were selected to estimate earthworks volume. Results showed that the mean production rates for the pc 220 komatsu excavators were 60.13 m3 h(-1) and earthwork 14.76 m h(-1) when the mean depth of excavation or cutting was 4.27 m3 m(-1), respectively. There was no significant effects (p = 0.5288) from the slope classes' treatments on productivity, whereas grubbing time, soil moisture, bulk density and porosity had significantly affected on excavator earthworks volume (p < 0.0001). Clear difference was showed between the earthwork length by slope classes (p = 0.0060). Grubbing time (p = 0.2180), soil moisture (p = 0.1622), bulk density (p = 0.2490) and porosity (p = 0.2159) had no significant effect on the excavator earthworks length.

  14. Impact of Petrophysical Properties on Hydraulic Fracturing and Development in Tight Volcanic Gas Reservoirs

    Directory of Open Access Journals (Sweden)

    Yinghao Shen

    2017-01-01

    Full Text Available The volcanic reservoir is an important kind of unconventional reservoir. The aqueous phase trapping (APT appears because of fracturing fluids filtration. However, APT can be autoremoved for some wells after certain shut-in time. But there is significant distinction for different reservoirs. Experiments were performed to study the petrophysical properties of a volcanic reservoir and the spontaneous imbibition is monitored by nuclear magnetic resonance (NMR and pulse-decay permeability. Results showed that natural cracks appear in the samples as well as high irreducible water saturation. There is a quick decrease of rock permeability once the rock contacts water. The pores filled during spontaneous imbibition are mainly the nanopores from NMR spectra. Full understanding of the mineralogical effect and sample heterogeneity benefits the selection of segments to fracturing. The fast flow-back scheme is applicable in this reservoir to minimize the damage. Because lots of water imbibed into the nanopores, the main flow channels become larger, which are beneficial to the permeability recovery after flow-back of hydraulic fracturing. This is helpful in understanding the APT autoremoval after certain shut-in time. Also, Keeping the appropriate production differential pressure is very important in achieving the long term efficient development of volcanic gas reservoirs.

  15. Electron Transport Properties of Ge nanowires

    Science.gov (United States)

    Hanrath, Tobias; Khondaker, Saiful I.; Yao, Zhen; Korgel, Brian A.

    2003-03-01

    Electron Transport Properties of Ge nanowires Tobias Hanrath*, Saiful I. Khondaker, Zhen Yao, Brian A. Korgel* *Dept. of Chemical Engineering, Dept. of Physics, Texas Materials Institute, and Center for Nano- and Molecular Science and Technology University of Texas at Austin, Austin, Texas 78712-1062 e-mail: korgel@mail.che.utexas.edu Germanium (Ge) nanowires with diameters ranging from 6 to 50 nm and several micrometer in length were grown via a supercritical fluid-liquid-solid synthesis. Parallel electron energy loss spectroscopy (PEELS) was employed to study the band structure and electron density in the Ge nanowires. The observed increase in plasmon peak energy and peak width with decreasing nanowire diameter is attributed to quantum confinement effects. For electrical characterization, Ge nanowires were deposited onto a patterned Si/SiO2 substrate. E-beam lithography was then used to form electrode contacts to individual nanowires. The influence of nanowire diameter, surface chemistry and crystallographic defects on electron transport properties were investigated and the comparison of Ge nanowire conductivity with respect to bulk, intrinsic Ge will be presented.

  16. Plasticity of rhizosphere hydraulic properties as a key for efficient utilization of scarce resources

    Science.gov (United States)

    Carminati, Andrea; Vetterlein, Doris

    2013-01-01

    Background It is known that the soil near roots, the so-called rhizosphere, has physical and chemical properties different from those of the bulk soil. Rhizosphere properties are the result of several processes: root and soil shrinking/swelling during drying/wetting cycles, soil compaction by root growth, mucilage exuded by root caps, interaction of mucilage with soil particles, mucilage shrinking/swelling and mucilage biodegradation. These processes may lead to variable rhizosphere properties, i.e. the presence of air-filled gaps between soil and roots; water repellence in the rhizosphere caused by drying of mucilage around the soil particles; or water accumulation in the rhizosphere due to the high water-holding capacity of mucilage. The resulting properties are not constant in time but they change as a function of soil condition, root growth rate and mucilage age. Scope We consider such a variability as an expression of rhizosphere plasticity, which may be a strategy for plants to control which part of the root system will have a facilitated access to water and which roots will be disconnected from the soil, for instance by air-filled gaps or by rhizosphere hydrophobicity. To describe such a dualism, we suggest classifying rhizosphere into two categories: class A refers to a rhizosphere covered with hydrated mucilage that optimally connects roots to soil and facilitates water uptake from dry soils. Class B refers to the case of air-filled gaps and/or hydrophobic rhizosphere, which isolate roots from the soil and may limit water uptake from the soil as well water loss to the soil. The main function of roots covered by class B will be long-distance transport of water. Outlook This concept has implications for soil and plant water relations at the plant scale. Root water uptake in dry conditions is expected to shift to regions covered with rhizosphere class A. On the other hand, hydraulic lift may be limited in regions covered with rhizosphere class B. New

  17. Synthesis Properties and Electron Spin Resonance Properties of Titanic Materials

    International Nuclear Information System (INIS)

    Cho, Jung Min; Lee, Jun; Kim, Tak Hee; Sun, Min Ho; Jang, Young Bae; Cho, Sung June

    2009-01-01

    Titanic materials were synthesized by hydrothermal method of TiO 2 anatase in 10M LiOH, 10M NaOH, and 14M KOH at 130 deg. C for 30 hours. Alkaline media were removed from the synthesized products using 0.1N HCl aqueous solution. The as-prepared samples were characterized by scanning electron microscope, transmission electron microscope, X-ray diffraction, Brunauer-Emmett-Teller isotherm, and electron spin resonance. Different shapes of synthesized products were observed through the typical electron microscope and indicated that the formation of the different morphologies depends on the treatment conditions of highly alkaline media. Many micropores were observed in the cubic or octahedral type of TiO 2 samples through the typical electron microscope and Langmuir adsorption-desorption isotherm of liquid nitrogen at 77 deg. K. Electron spin resonance studies have also been carried out to verify the existence of paramagnetic sites such as oxygen vacancies on the titania samples. The effect of alkali metal ions on the morphologies and physicochemical properties of nanoscale titania are discussed.

  18. Handbook of hydraulic fluid technology

    CERN Document Server

    Totten, George E

    2011-01-01

    ""The Handbook of Hydraulic Fluid Technology"" serves as the foremost resource for designing hydraulic systems and for selecting hydraulic fluids used in engineering applications. Featuring new illustrations, data tables, as well as practical examples, this second edition is updated with essential information on the latest hydraulic fluids and testing methods. The detailed text facilitates unparalleled understanding of the total hydraulic system, including important hardware, fluid properties, and hydraulic lubricants. Written by worldwide experts, the book also offers a rigorous overview of h

  19. The radial flow method: constraints from laboratory experiments on the evolution of hydraulic properties of fractures during frictional sliding experiments

    Science.gov (United States)

    Kewel, M.; Renner, J.

    2017-12-01

    The variation of hydraulic properties during sliding events is of importance for source mechanics and analyses of the evolution in effective stresses. We conducted laboratory experiments on samples of Padang granite to elucidate the interrelation between shear displacement on faults and their hydraulic properties. The cylindrical samples of 30 mm diameter and 75 mm length were prepared with a ground sawcut, inclined 35° to the cylindrical axis and accessed by a central bore of 3 mm diameter. The conventional triaxial compression experiments were conducted at effective pressures of 30, 50, and 70 MPa at slip rates of 2×10-4 and 8×10-4 mm s-1. The nominally constant fluid pressure of 30 MPa was modulated by oscillations with an amplitude of up to 0.5 MPa. Permeability and specific storage capacity of the fault were determined using the oscillatory radial-flow method that rests on an analysis of amplitude ratio and phase shift between the oscillatory fluid pressure and the oscillatory fluid flow from and into the fault plane. This method allowed us to continuously monitor the hydraulic evolution during elastic loading and frictional sliding. The chosen oscillation period of 60 s guaranteed a resolution of hydraulic properties for slip increments as small as 20 μm. The determined hydraulic properties show a fairly uniform dependence on normal stress at hydrostatic conditions and initial elastic loading. The samples exhibited stable frictional sliding with modest strengthening with increasing strain. Since not all phase-shift values fell inside the theoretical range for purely radial pressure diffusion during frictional sliding, the records of equivalent hydraulic properties exhibit some gaps. In the phases with evaluable phase-shift values, permeability fluctuates by almost one order of magnitude over slip intervals of as little as 100 μm. We suppose that the observed fluctuations are related to comminution and reconfiguration of asperities on the fault planes

  20. Electronic properties of a biased graphene bilayer

    International Nuclear Information System (INIS)

    Castro, Eduardo V; Lopes dos Santos, J M B; Novoselov, K S; Morozov, S V; Geim, A K; Peres, N M R; Nilsson, Johan; Castro Neto, A H; Guinea, F

    2010-01-01

    We study, within the tight-binding approximation, the electronic properties of a graphene bilayer in the presence of an external electric field applied perpendicular to the system-a biased bilayer. The effect of the perpendicular electric field is included through a parallel plate capacitor model, with screening correction at the Hartree level. The full tight-binding description is compared with its four-band and two-band continuum approximations, and the four-band model is shown to always be a suitable approximation for the conditions realized in experiments. The model is applied to real biased bilayer devices, made out of either SiC or exfoliated graphene, and good agreement with experimental results is found, indicating that the model is capturing the key ingredients, and that a finite gap is effectively being controlled externally. Analysis of experimental results regarding the electrical noise and cyclotron resonance further suggests that the model can be seen as a good starting point for understanding the electronic properties of graphene bilayer. Also, we study the effect of electron-hole asymmetry terms, such as the second-nearest-neighbour hopping energies t' (in-plane) and γ 4 (inter-layer), and the on-site energy Δ.

  1. Electron beam crosslinked PVC : structure property relationships

    International Nuclear Information System (INIS)

    Gupta, Neeraj K.; Sabharwal, Sunil

    2001-01-01

    PVC is used extensively for its insulating properties for the manufacture of wires and cables and for other applications. Its gradual degradation, oxidation and even dehydro chlorination restricts use for long lasting period in installations such as high temperature zones, underground cables, communication systems, electro-nuclear facilities, etc. The technological properties and performance characteristics of PVC based insulation can be improved via crosslinking by high-energy electrons. PVC is however a polymer, which on irradiation predominantly undergoes degradation. To avoid degradation, it needs to be compounded with sensitizing agents or multifunctional monomers so that crosslinking is the predominant reaction. Radiation cross linkable formulations are complex mixtures of resin and various additives incorporated for achieving desired technological and performance characteristics, ease of processing and improving quality. The proper choice of additives and sensitizing agents enable low dose requirements for efficient crosslinking and improvements in various technological properties. The purposes of this work was to investigate the effect of using a binary sensitizer blend of a trifunctional monomer and a rubber in PVC, and develop suitable electron beam cross linkable formulations for wire insulation. This paper presents some aspects of the investigations and development of insulation demonstrated at industrial scale

  2. Fabrication and Electronic Properties of CZTSe

    Energy Technology Data Exchange (ETDEWEB)

    Bishop, Douglas M.; McCandless, Brian E.; Haight, Richard; Mitzi, David B.; Birkmire, Robert W.

    2014-06-09

    To solve the open circuit voltage limitation in Cu2ZnSn(SSe)4 further understanding of defects and the fundamental properties of the bulk material are needed. Although there are a number of literature reports of single crystals, the vast majority are made with a flux agent such as iodine which could potentially act as a dopant or affect defect properties in the material. In this report 2-5 mm single crystals of CZTSe of different compositions were achieved by solid state reaction of elements in a sealed ampoule below the melt temperature without a flux agent. The bulk composition of single crystals are compared to electronic and opto-electronic properties from Hall and photoluminescence (PL) measurements. Intergrain measurements showed record hole mobilities for pure CZTSe in excess of 100 cm2/Vs. PL intensity and uniformity were improved by removing inhomogeneities and surface phases through crystal polishing, followed by Br-methanol etching to remove polishing damage. Despite processing conditions more favorable to equilibrium crystal conditions, a broad PL peak is observed with significant luminescence below the band-gap similar to literature reports of band-tailing. A more detailed publication of results and further experiments will be reported in an upcoming Journal of Photovoltaics.

  3. Physical, Hydraulic, and Transport Properties of Sediments and Engineered Materials Associated with Hanford Immobilized Low-Activity Waste

    Energy Technology Data Exchange (ETDEWEB)

    Rockhold, Mark L. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Zhang, Z. F. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Meyer, Philip D. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Thomle, Jonathan N. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States)

    2015-02-28

    Current plans for treatment and disposal of immobilized low-activity waste (ILAW) from Hanford’s underground waste storage tanks include vitrification and storage of the glass waste form in a nearsurface disposal facility. This Integrated Disposal Facility (IDF) is located in the 200 East Area of the Hanford Central Plateau. Performance assessment (PA) of the IDF requires numerical modeling of subsurface flow and reactive transport processes over very long periods (thousands of years). The models used to predict facility performance require parameters describing various physical, hydraulic, and transport properties. This report provides updated estimates of physical, hydraulic, and transport properties and parameters for both near- and far-field materials, intended for use in future IDF PA modeling efforts. Previous work on physical and hydraulic property characterization for earlier IDF PA analyses is reviewed and summarized. For near-field materials, portions of this document and parameter estimates are taken from an earlier data package. For far-field materials, a critical review is provided of methodologies used in previous data packages. Alternative methods are described and associated parameters are provided.

  4. Electronic transport properties of (fluorinated) metal phthalocyanine

    KAUST Repository

    Fadlallah, M M; Eckern, U; Romero, A H; Schwingenschlö gl, Udo

    2015-01-01

    The magnetic and transport properties of the metal phthalocyanine (MPc) and F16MPc (M = Sc, Ti, V, Cr, Mn, Fe, Co, Ni, Cu, Zn and Ag) families of molecules in contact with S–Au wires are investigated by density functional theory within the local density approximation, including local electronic correlations on the central metal atom. The magnetic moments are found to be considerably modified under fluorination. In addition, they do not depend exclusively on the configuration of the outer electronic shell of the central metal atom (as in isolated MPc and F16MPc) but also on the interaction with the leads. Good agreement between the calculated conductance and experimental results is obtained. For M = Ag, a high spin filter efficiency and conductance is observed, giving rise to a potentially high sensitivity for chemical sensor applications.

  5. Electronic transport properties of (fluorinated) metal phthalocyanine

    KAUST Repository

    Fadlallah, M M

    2015-12-21

    The magnetic and transport properties of the metal phthalocyanine (MPc) and F16MPc (M = Sc, Ti, V, Cr, Mn, Fe, Co, Ni, Cu, Zn and Ag) families of molecules in contact with S–Au wires are investigated by density functional theory within the local density approximation, including local electronic correlations on the central metal atom. The magnetic moments are found to be considerably modified under fluorination. In addition, they do not depend exclusively on the configuration of the outer electronic shell of the central metal atom (as in isolated MPc and F16MPc) but also on the interaction with the leads. Good agreement between the calculated conductance and experimental results is obtained. For M = Ag, a high spin filter efficiency and conductance is observed, giving rise to a potentially high sensitivity for chemical sensor applications.

  6. Information content of slug tests for estimating hydraulic properties in realistic, high-conductivity aquifer scenarios

    Science.gov (United States)

    Cardiff, Michael; Barrash, Warren; Thoma, Michael; Malama, Bwalya

    2011-06-01

    SummaryA recently developed unified model for partially-penetrating slug tests in unconfined aquifers ( Malama et al., in press) provides a semi-analytical solution for aquifer response at the wellbore in the presence of inertial effects and wellbore skin, and is able to model the full range of responses from overdamped/monotonic to underdamped/oscillatory. While the model provides a unifying framework for realistically analyzing slug tests in aquifers (with the ultimate goal of determining aquifer properties such as hydraulic conductivity K and specific storage Ss), it is currently unclear whether parameters of this model can be well-identified without significant prior information and, thus, what degree of information content can be expected from such slug tests. In this paper, we examine the information content of slug tests in realistic field scenarios with respect to estimating aquifer properties, through analysis of both numerical experiments and field datasets. First, through numerical experiments using Markov Chain Monte Carlo methods for gauging parameter uncertainty and identifiability, we find that: (1) as noted by previous researchers, estimation of aquifer storage parameters using slug test data is highly unreliable and subject to significant uncertainty; (2) joint estimation of aquifer and skin parameters contributes to significant uncertainty in both unless prior knowledge is available; and (3) similarly, without prior information joint estimation of both aquifer radial and vertical conductivity may be unreliable. These results have significant implications for the types of information that must be collected prior to slug test analysis in order to obtain reliable aquifer parameter estimates. For example, plausible estimates of aquifer anisotropy ratios and bounds on wellbore skin K should be obtained, if possible, a priori. Secondly, through analysis of field data - consisting of over 2500 records from partially-penetrating slug tests in a

  7. Comparison of the mineralogical composition, physical, swelling and hydraulic properties of untreated sodium bentonites from Canada, the United States and Japan

    International Nuclear Information System (INIS)

    Dixon, D.A.; Miller, S.H.

    1995-11-01

    A large variety of commercial grade sodium bentonite products are available from suppliers in North America and Japan. This report generally characterizes the products available for environmental engineering applications. A compilation of the swelling capacity and hydraulic properties of the available products, together with their basic mineralogical composition, physical and engineering properties is presented. This report identifies the range of materials available commercially and documents the basic physical properties of these products. The geological origins and locations of bentonite-ore deposits are discussed with reference to the availability and variability of this material. The hydraulic and swelling characteristics of 17 different bentonite products from 9 different producers were compared. Considerable variation was noted in the free-swell capacity of these clays but this was not reflected in the swelling pressure or hydraulic conductivity of densely compacted specimens. The density -hydraulic conductivity relationship was found to be independent of product for untreated sodium bentonite clays with hydraulic conductivity decreasing with increasing clay density (for materials tested at high (>500) hydraulic gradients). A large body of hydraulic conductivity data was obtained from the literature to supplement the data generated by this study. The literature values further supported the results of this study. Hydraulic conductivity and swelling pressure performance at high density are consistent when sodium bentonites of similar quality are densely compacted prior to use. (author) 27 refs., 5 tabs., 17 figs

  8. Sensitivity of long-term bare soil infiltration simulations to hydraulic properties in an arid environment

    International Nuclear Information System (INIS)

    Stothoff, S.A.

    1997-01-01

    The suitability of Yucca Mountain, Nevada, for emplacement of a high-level nuclear waste geologic repository is currently being evaluated. Assessments of the repository performance suggest that the uncertainty in infiltration rates strongly affects predicted repository performance. Most of the ground surface over the potential repository footprint is characterized by shallow to deep colluvium/alluvium overlying densely fractured, welded tuffs. In order to identify characteristic behavior of infiltration that might be expected at the site, two idealizations of this situation are examined: an effectively semi-infinite column of alluvium and a two-layer column of alluvium over a fractured impermeable matrix. For each idealization the impact of hydraulic properties is assessed. Examining the sensitivity of bare soil simulator predictions for an effectively semi-infinite column, it is found that decreasing the air entry pressure while holding all other parameters at a fixed level tends to increase both the long-term average moisture content and the long-term average net infiltration flux for homogeneous media. In contrast, increasing the van Genuchten scale parameter (m = 1 - 1/n) or decreasing the porosity tends to decrease the average soil moisture but increase the infiltration. Most interestingly, three regimes are found for permeability. For relatively high permeabilities, there is a trend toward increasing average infiltration and increasing average moisture content with decreasing permeability. For relatively low permeabilities, vapor transport dominates over liquid transport, runoff and evaporation overwhelm infiltration, and the soil becomes very dry with essentially no infiltration flux Between the extreme cases of high and low permeability, there is a zone where decreasing permeability results in decreased infiltration but increased moisture content

  9. Effects of Salt Accumulation in Soil by Evaporation on Unsaturated Soil Hydraulic Properties

    Science.gov (United States)

    Liu, Y.; Liu, Q.

    2017-12-01

    Soil salinization is one type of soil degradation caused by saline groundwater evaporation. Salt accumulation in the soil will change the pore structure of soil, which should change the unsaturated soil hydraulic properties including the soil water characteristic curve (SWCC). To investigate the effect of salt accumulation on the SWCC and find the best suitable SWCC model to characterize the relationship of soil moisture and soil matrix potential, we have conducted laboratory SWCC experiments with the soil columns saturated by NaCl solution with different concentration (deionized water, 3 g/L, 15 g/L, 50 g/L, 100 g/L and 200 g/L). As the concentration of initial solution increases, the matrix potential corresponding to the same moisture increases. As the water was evaporated, the salt would precipitate in soil continuously, which would decrease the porosity of soils and increase the negative pressure of soils. With higher initial concentration, the more salt accumulation caused the more residual water content in the soils. For van Genuchten-Mualem model, the residual water contents θr were 0.0159, 0.0181, 0.0182, 0.0328, 0.0312, 0.0723, 0.0864 in the columns initially saturated by deionized water, 3 g/L, 15 g/L, 50 g/L, 100 g/L and 200 g/L, respectively. The van Genuchten-Mualem model, Fredlund-Xing model, Gardern model, Mckee-Bumb model and Brooks-Corey model were fitted by MATLAB with the experiments data, and the fitted coefficients were compared. The Fredlund-Xing model has the best fitting coefficients and the calculated value was consistent with the observed data.

  10. Unsaturated hydraulic properties of Sphagnum moss and peat reveal trimodal pore-size distributions

    Science.gov (United States)

    Weber, Tobias K. D.; Iden, Sascha C.; Durner, Wolfgang

    2017-01-01

    In ombrotrophic peatlands, the moisture content of the vadose zone (acrotelm) controls oxygen diffusion rates, redox state, and the turnover of organic matter. Whether peatlands act as sinks or sources of atmospheric carbon thus relies on variably saturated flow processes. The Richards equation is the standard model for water flow in soils, but it is not clear whether it can be applied to simulate water flow in live Sphagnum moss. Transient laboratory evaporation experiments were conducted to observe evaporative water fluxes in the acrotelm, containing living Sphagnum moss, and a deeper layer containing decomposed moss peat. The experimental data were evaluated by inverse modeling using the Richards equation as process model for variably-saturated flow. It was tested whether water fluxes and time series of measured pressure heads during evaporation could be simulated. The results showed that the measurements could be matched very well providing the hydraulic properties are represented by a suitable model. For this, a trimodal parametrization of the underlying pore-size distribution was necessary which reflects three distinct pore systems of the Sphagnum constituted by inter-, intra-, and inner-plant water. While the traditional van Genuchten-Mualem model led to great discrepancies, the physically more comprehensive Peters-Durner-Iden model which accounts for capillary and noncapillary flow, led to a more consistent description of the observations. We conclude that the Richards equation is a valid process description for variably saturated moisture fluxes over a wide pressure range in peatlands supporting the conceptualization of the live moss as part of the vadose zone.

  11. A pore-size classification for peat bogs derived from unsaturated hydraulic properties

    Science.gov (United States)

    Weber, Tobias Karl David; Iden, Sascha Christian; Durner, Wolfgang

    2017-12-01

    In ombrotrophic peatlands, the moisture content of the acrotelm (vadoze zone) controls oxygen diffusion rates, redox state, and the turnover of organic matter. Thus, variably saturated flow processes determine whether peatlands act as sinks or sources of atmospheric carbon, and modelling these processes is crucial to assess effects of changed environmental conditions on the future development of these ecosystems. We show that the Richards equation can be used to accurately describe the moisture dynamics under evaporative conditions in variably saturated peat soil, encompassing the transition from the topmost living moss layer to the decomposed peat as part of the vadose zone. Soil hydraulic properties (SHP) were identified by inverse simulation of evaporation experiments on samples from the entire acrotelm. To obtain consistent descriptions of the observations, the traditional van Genuchten-Mualem model was extended to account for non-capillary water storage and flow. We found that the SHP of the uppermost moss layer reflect a pore-size distribution (PSD) that combines three distinct pore systems of the Sphagnum moss. For deeper samples, acrotelm pedogenesis changes the shape of the SHP due to the collapse of inter-plant pores and an infill with smaller particles. This leads to gradually more homogeneous and bi-modal PSDs with increasing depth, which in turn can serve as a proxy for increasing state of pedogenesis in peatlands. From this, we derive a nomenclature and size classification for the pore spaces of Sphagnum mosses and define inter-, intra-, and inner-plant pore spaces, with effective pore diameters of > 300, 300-30, and 30-10 µm, respectively.

  12. A pore-size classification for peat bogs derived from unsaturated hydraulic properties

    Directory of Open Access Journals (Sweden)

    T. K. D. Weber

    2017-12-01

    Full Text Available In ombrotrophic peatlands, the moisture content of the acrotelm (vadoze zone controls oxygen diffusion rates, redox state, and the turnover of organic matter. Thus, variably saturated flow processes determine whether peatlands act as sinks or sources of atmospheric carbon, and modelling these processes is crucial to assess effects of changed environmental conditions on the future development of these ecosystems. We show that the Richards equation can be used to accurately describe the moisture dynamics under evaporative conditions in variably saturated peat soil, encompassing the transition from the topmost living moss layer to the decomposed peat as part of the vadose zone. Soil hydraulic properties (SHP were identified by inverse simulation of evaporation experiments on samples from the entire acrotelm. To obtain consistent descriptions of the observations, the traditional van Genuchten–Mualem model was extended to account for non-capillary water storage and flow. We found that the SHP of the uppermost moss layer reflect a pore-size distribution (PSD that combines three distinct pore systems of the Sphagnum moss. For deeper samples, acrotelm pedogenesis changes the shape of the SHP due to the collapse of inter-plant pores and an infill with smaller particles. This leads to gradually more homogeneous and bi-modal PSDs with increasing depth, which in turn can serve as a proxy for increasing state of pedogenesis in peatlands. From this, we derive a nomenclature and size classification for the pore spaces of Sphagnum mosses and define inter-, intra-, and inner-plant pore spaces, with effective pore diameters of >  300, 300–30, and 30–10 µm, respectively.

  13. Bole girdling affects metabolic properties and root, trunk and branch hydraulics of young ponderosa pine trees.

    Science.gov (United States)

    Domec, Jean-Christophe; Pruyn, Michele L

    2008-10-01

    Effects of trunk girdling on seasonal patterns of xylem water status, water transport and woody tissue metabolic properties were investigated in ponderosa pine (Pinus ponderosa Dougl. ex P. Laws.) trees. At the onset of summer, there was a sharp decrease in stomatal conductance (g(s)) in girdled trees followed by a full recovery after the first major rainfall in September. Eliminating the root as a carbohydrate sink by girdling induced a rapid reversible reduction in g(s). Respiratory potential (a laboratory measure of tissue-level respiration) increased above the girdle (branches and upper trunk) and decreased below the girdle (lower trunk and roots) relative to control trees during the growing season, but the effect was reversed after the first major rainfall. The increase in branch respiratory potential induced by girdling suggests that the decrease in g(s) was caused by the accumulation of carbohydrates above the girdle, which is consistent with an observed increase in leaf mass per area in the girdled trees. Trunk girdling did not affect native xylem embolism or xylem conductivity. Both treated and control trunks experienced loss of xylem conductivity ranging from 10% in spring to 30% in summer. Girdling reduced xylem growth and sapwood to leaf area ratio, which in turn reduced branch leaf specific conductivity (LSC). The girdling-induced reductions in g(s) and transpiration were associated with a decrease in leaf hydraulic conductance. Two years after girdling, when root-to-shoot phloem continuity had been restored, girdled trees had a reduced density of new wood, which increased xylem conductivity and whole-tree LSC, but also vulnerability to embolism.

  14. Structural and electronic properties of thallium compounds

    International Nuclear Information System (INIS)

    Paliwal, Neetu; Srivastava, Vipul

    2016-01-01

    The tight binding linear muffin-tin-orbital (TB-LMTO) method within the local density approximation (LDA has been used to calculate structural and electronic properties of thallium pnictides TlX (X=Sb, Bi) at high pressure. As a function of volume, the total energy is evaluated. Apart from this, the lattice parameter (a_0), bulk modulus (B_0), band structure (BS) and density of states (DOS) are calculated. From energy band diagram we observed metallic behaviour in TlSb and TlBi compounds. The values of equilibrium lattice constants and bulk modulus are agreed well with the available data.

  15. Structural and electronic properties of thallium compounds

    Energy Technology Data Exchange (ETDEWEB)

    Paliwal, Neetu, E-mail: neetumanish@gmail.com [Department of Physics, AISECT University Bhopal, 464993 (India); Srivastava, Vipul [Department of Engineering Physics, NRI Institute of Research & Technology, Raisen Road, Bhopal, 462021 (India)

    2016-05-06

    The tight binding linear muffin-tin-orbital (TB-LMTO) method within the local density approximation (LDA has been used to calculate structural and electronic properties of thallium pnictides TlX (X=Sb, Bi) at high pressure. As a function of volume, the total energy is evaluated. Apart from this, the lattice parameter (a{sub 0}), bulk modulus (B{sub 0}), band structure (BS) and density of states (DOS) are calculated. From energy band diagram we observed metallic behaviour in TlSb and TlBi compounds. The values of equilibrium lattice constants and bulk modulus are agreed well with the available data.

  16. Dynamic properties of electrons in solids by neutron scattering

    International Nuclear Information System (INIS)

    Lovesey, S.W.

    1980-12-01

    Illustrative cases of the use of neutron scattering in the study of the electronic properties of materials discussed here include scattering by localised electrons, narrow band materials and electron plasmas. (U.K.)

  17. Assessing the influence of the rhizosphere on soil hydraulic properties using X-ray computed tomography and numerical modelling.

    Science.gov (United States)

    Daly, Keith R; Mooney, Sacha J; Bennett, Malcolm J; Crout, Neil M J; Roose, Tiina; Tracy, Saoirse R

    2015-04-01

    Understanding the dynamics of water distribution in soil is crucial for enhancing our knowledge of managing soil and water resources. The application of X-ray computed tomography (CT) to the plant and soil sciences is now well established. However, few studies have utilized the technique for visualizing water in soil pore spaces. Here this method is utilized to visualize the water in soil in situ and in three-dimensions at successive reductive matric potentials in bulk and rhizosphere soil. The measurements are combined with numerical modelling to determine the unsaturated hydraulic conductivity, providing a complete picture of the hydraulic properties of the soil. The technique was performed on soil cores that were sampled adjacent to established roots (rhizosphere soil) and from soil that had not been influenced by roots (bulk soil). A water release curve was obtained for the different soil types using measurements of their pore geometries derived from CT imaging and verified using conventional methods, such as pressure plates. The water, soil, and air phases from the images were segmented and quantified using image analysis. The water release characteristics obtained for the contrasting soils showed clear differences in hydraulic properties between rhizosphere and bulk soil, especially in clay soil. The data suggest that soils influenced by roots (rhizosphere soil) are less porous due to increased aggregation when compared with bulk soil. The information and insights obtained on the hydraulic properties of rhizosphere and bulk soil will enhance our understanding of rhizosphere biophysics and improve current water uptake models. © The Author 2015. Published by Oxford University Press on behalf of the Society for Experimental Biology.

  18. Understanding the influence of biofilm accumulation on the hydraulic properties of soils: a mechanistic approach based on experimental data

    Science.gov (United States)

    Carles Brangarí, Albert; Sanchez-Vila, Xavier; Freixa, Anna; Romaní, Anna M.; Fernàndez-Garcia, Daniel

    2017-04-01

    The distribution, amount, and characteristics of biofilms and its components govern the capacity of soils to let water through, to transport solutes, and the reactions occurring. Therefore, unraveling the relationship between microbial dynamics and the hydraulic properties of soils is of concern for the management of natural systems and many technological applications. However, the increased complexity of both the microbial communities and the geochemical processes entailed by them causes that the phenomenon of bioclogging remains poorly understood. This highlights the need for a better understanding of the microbial components such as live and dead bacteria and extracellular polymeric substances (EPS), as well as of their spatial distribution. This work tries to shed some light on these issues, providing experimental data and a new mechanistic model that predicts the variably saturated hydraulic properties of bio-amended soils based on these data. We first present a long-term laboratory infiltration experiment that aims at studying the temporal variation of selected biogeochemical parameters along the infiltration path. The setup consists of a 120-cm-high soil tank instrumented with an array of sensors plus soil and liquid samplers. Sensors measured a wide range of parameters in continuous, such as volumetric water content, electrical conductivity, temperature, water pressure, soil suction, dissolved oxygen, and pH. Samples were kept for chemical and biological analyses. Results indicate that: i) biofilm is present at all depths, denoting the potential for deep bioclogging, ii) the redox conditions profile shows different stages, indicating that the community was adapted to changing redox conditions, iii) bacterial activity, richness and diversity also exhibit zonation with depth, and iv) the hydraulic properties of the soil experienced significant changes as biofilm proliferated. Based on experimental evidences, we propose a tool to predict changes in the

  19. Multiscale pore networks and their effect on deformation and transport property alteration associated with hydraulic fracturing

    Science.gov (United States)

    Daigle, Hugh; Hayman, Nicholas; Jiang, Han; Tian, Xiao; Jiang, Chunbi

    2017-04-01

    Multiple lines of evidence indicate that, during a hydraulic fracture stimulation, the permeability of the unfractured matrix far from the main, induced tensile fracture increases by one to two orders of magnitude. This permeability enhancement is associated with pervasive shear failure in a large region surrounding the main induced fracture. We have performed low-pressure gas sorption, mercury intrusion, and nuclear magnetic resonance measurements along with high-resolution scanning electron microscope imaging on several preserved and unpreserved shale samples from North American basins before and after inducing failure in confined compressive strength tests. We have observed that the pore structure in intact samples exhibits multiscale behavior, with sub-micron-scale pores in organic matter connected in isolated, micron-scale clusters which themselves are connected to each other through a network of microcracks. The organic-hosted pore networks are poorly connected due to a significant number of dead-end pores within the organic matter. Following shear failure, we often observe an increase in pore volume in the sub-micron range, which appears to be related to the formation of microcracks that propagate along grain boundaries and other planes of mechanical strength contrast. This is consistent with other experimental and field evidence. In some cases these microcracks cross or terminate in organic matter, intersecting the organic-hosted pores. The induced microcrack networks typically have low connectivity and do not appreciably increase the connectivity of the overall pore network. However, in other cases the shear deformation results in an overall pore volume decrease; samples which exhibit this behavior tend to have more clay minerals. Our interpretation of these phenomena is as follows. As organic matter is converted to hydrocarbons, organic-hosted pores develop, and the hydrocarbons contained in these pores are overpressured. The disconnected nature of these

  20. Estimation of Hydraulic properties of a sandy soil using ground-based active and passive microwave remote sensing

    KAUST Repository

    Jonard, François

    2015-06-01

    In this paper, we experimentally analyzed the feasibility of estimating soil hydraulic properties from 1.4 GHz radiometer and 0.8-2.6 GHz ground-penetrating radar (GPR) data. Radiometer and GPR measurements were performed above a sand box, which was subjected to a series of vertical water content profiles in hydrostatic equilibrium with a water table located at different depths. A coherent radiative transfer model was used to simulate brightness temperatures measured with the radiometer. GPR data were modeled using full-wave layered medium Green\\'s functions and an intrinsic antenna representation. These forward models were inverted to optimally match the corresponding passive and active microwave data. This allowed us to reconstruct the water content profiles, and thereby estimate the sand water retention curve described using the van Genuchten model. Uncertainty of the estimated hydraulic parameters was quantified using the Bayesian-based DREAM algorithm. For both radiometer and GPR methods, the results were in close agreement with in situ time-domain reflectometry (TDR) estimates. Compared with radiometer and TDR, much smaller confidence intervals were obtained for GPR, which was attributed to its relatively large bandwidth of operation, including frequencies smaller than 1.4 GHz. These results offer valuable insights into future potential and emerging challenges in the development of joint analyses of passive and active remote sensing data to retrieve effective soil hydraulic properties.

  1. Improvement of diesel engine performance by hydraulically powered electronic control (mechatronics) system. Hakuyo diesel kikan no mechatronics system ni yoru seino kojo

    Energy Technology Data Exchange (ETDEWEB)

    Sonoda, K.; Nakamura, Y.; Kajima, T.; Sato, S.; Fujii, T.; Tobe, Y. (Kawasaki Heavy Industries, Ltd., Tokyo (Japan))

    1992-07-20

    This paper describes new hydraulically-actuated mechanisms for both fuel injection and inlet/exhaust valve operation of diesel engines through solenoid valves, which obviate the conventional cam-driven system. These mechanisms were integrated with an electronic control unit also developed in this study and they were mounted as a mechatronics system'' on a power-increased single-cylinder engine. This mechatronics system was mainly composed of an injection control. boost and accumulation component, an inlet and exhaust valve control component, a solenoid valve, an electronic control equipment, a hydraulic power unit, and a maneuvering unit. The verification test was carried out for the improvement of diesel engine performance by the hydraulically powered mechatronics system. As a result, it was proved not only that these mechanisms provide stable operating characteristics over a wide range of conditions, but also that the electronic control system allows accurate, smooth response. 3 refs., 23 figs., 2 tabs.

  2. Electronic and transport properties of kinked graphene

    DEFF Research Database (Denmark)

    Rasmussen, Jesper Toft; Gunst, Tue; Bøggild, Peter

    2013-01-01

    Local curvature, or bending, of a graphene sheet is known to increase the chemical reactivity presenting an opportunity for templated chemical functionalisation. Using first-principles calculations based on density functional theory (DFT), we investigate the reaction barrier reduction for the ads......Local curvature, or bending, of a graphene sheet is known to increase the chemical reactivity presenting an opportunity for templated chemical functionalisation. Using first-principles calculations based on density functional theory (DFT), we investigate the reaction barrier reduction...... for the adsorption of atomic hydrogen at linear bends in graphene. We find a significant barrier lowering (≈15%) for realistic radii of curvature (≈20 Å) and that adsorption along the linear bend leads to a stable linear kink. We compute the electronic transport properties of individual and multiple kink lines......, and demonstrate how these act as efficient barriers for electron transport. In particular, two parallel kink lines form a graphene pseudo-nanoribbon structure with a semimetallic/semiconducting electronic structure closely related to the corresponding isolated ribbons; the ribbon band gap translates...

  3. Bayesian estimation of the hydraulic and solute transport properties of a small-scale unsaturated soil column

    Directory of Open Access Journals (Sweden)

    Moreira Paulo H. S.

    2016-03-01

    Full Text Available In this study the hydraulic and solute transport properties of an unsaturated soil were estimated simultaneously from a relatively simple small-scale laboratory column infiltration/outflow experiment. As governing equations we used the Richards equation for variably saturated flow and a physical non-equilibrium dual-porosity type formulation for solute transport. A Bayesian parameter estimation approach was used in which the unknown parameters were estimated with the Markov Chain Monte Carlo (MCMC method through implementation of the Metropolis-Hastings algorithm. Sensitivity coefficients were examined in order to determine the most meaningful measurements for identifying the unknown hydraulic and transport parameters. Results obtained using the measured pressure head and solute concentration data collected during the unsaturated soil column experiment revealed the robustness of the proposed approach.

  4. Electronic properties of lithium titanate ceramic

    International Nuclear Information System (INIS)

    Padilla-Campos, Luis; Buljan, Antonio

    2001-01-01

    Research on tritium breeder material is fundamental to the development of deuterium-tritium type fusion reactors for producing clean, non contaminating, electrical energy, since only energy and helium, a harmless gas, are produced from the fusion reaction. Lithium titanate ceramic is one of the possible candidates for the tritium breeder material. This last material is thought to form part of the first wall of the nucleus of the reactor which will provide the necessary tritium for the fusion and will also serve as a shield. Lithium titanate has advantageous characteristics compared to other materials. Some of these are low activation under the irradiation of neutrons, good thermal stability, high density of lithium atoms and relatively fast tritium release at low temperatures. However, there are still several physical and chemical properties with respect to the tritium release mechanism and mechanical properties that have not been studied at all. This work presents a theoretical study of the electronic properties of lithium titanate ceramic and the corresponding tritiated material. Band calculations using the Extended H kel Tight-Binding approach were carried out. Results show that after substituting lithium for tritium atoms, the electronic states for the latter appear in the middle of prohibited band gap which it is an indication that the tritiated material should behave as a semiconductor, contrary to Li 2 TiO 3 which is a dielectric isolator. A study was also carried out to determine the energetically most favorable sites for the substitution of lithium for tritium atoms. Additionally, we analyzed possible pathways for the diffusion of a tritium atom within the crystalline structure of the Li 2 TiO 3

  5. Xylem hydraulic properties of roots and stems of nine Mediterranean woody species.

    Science.gov (United States)

    Martínez-Vilalta, Jordi; Prat, Ester; Oliveras, Imma; Piñol, Josep

    2002-09-01

    We studied the hydraulic architecture and water relations of nine co-occurring woody species in a Spanish evergreen oak forest over the course of a dry season. Our main objectives were to: (1) test the existence of a trade-off between hydraulic conductivity and security in the xylem, and (2) establish the safety margins at which the species operated in relation to hydraulic failure, and compare these safety margins between species and tissues (roots vs. stems). Our results showed that the relationship between specific hydraulic conductivity (K s) and resistance to cavitation followed a power function with exponent ≈-2, consistent with the existence of a trade-off between conductivity and security in the xylem, and also consistent with a linear relationship between vessel diameter and the size of inter-vessel pores. The diameter of xylem conduits, K s and vulnerability to xylem embolism were always higher in roots than in stems of the same species. Safety margins from hydraulic failure were narrower in roots than in stems. Among species, the water potential (Ψ) at which 50% of conductivity was lost due to embolism ranged between -0.9 and Cistus albidus=Ilex aquifolium>Phillyrea latifolia>Juniperus oxycedrus. Gas exchange and seasonal Ψ minima were in general correlated with resistance to xylem embolism. Hydraulic safety margins differed markedly among species, with some of them (J. oxycedrus, I. aquifolium, P. latifolia) showing a xylem overly resistant to cavitation. We hypothesize that this overly resistant xylem may be related to the shape of the relationship between K s and security we have found.

  6. Electronic and conformational properties of 2,3-benzodiazepine derivates

    International Nuclear Information System (INIS)

    Pelaggi, M.; Girlanda, R.; Chimirri, A.; Gitto, R.

    1996-01-01

    The molecular geometric and electronic structures of 2,3-benzodiazepine derivates have been studied by means of the MNDO-PM3 method. A number of electronic properties have been computed and examined in order to find indication of the role of the electronic characteristics of the different molecules and their pharmacological properties. Theoretical data indicate that both electronic and structural properties appear responsible for the varying degree of anticonvulsant activity exhibited by compounds 1-4

  7. Electronic and conformational properties of 2,3-benzodiazepine derivates

    Energy Technology Data Exchange (ETDEWEB)

    Pelaggi, M.; Girlanda, R. [Messina Univ. (Italy). Dip. di Fisica della Materia e Fisica dell`Ambiente; Chimirri, A.; Gitto, R. [Messina Univ. (Italy). Dip. Farmaco-Chimico

    1996-04-01

    The molecular geometric and electronic structures of 2,3-benzodiazepine derivates have been studied by means of the MNDO-PM3 method. A number of electronic properties have been computed and examined in order to find indication of the role of the electronic characteristics of the different molecules and their pharmacological properties. Theoretical data indicate that both electronic and structural properties appear responsible for the varying degree of anticonvulsant activity exhibited by compounds 1-4.

  8. Acrotelm pedogenesis of a Sphagnum bog is reflected in effective unsaturated hydraulic properties

    Science.gov (United States)

    Weber, Tobias K. D.; Iden, Sascha C.; Durner, Wolfgang

    2017-04-01

    In ombrotrophic peatlands, the moisture content of the vadose zone (acrotelm) controls oxygen diffusion rates, redox state, and the turnover of organic matter. Whether peatlands act as sinks or sources of atmospheric carbon thus relies on variably saturated flow processes. Modeling of these processes is crucial in assessing effects of changed environmental conditions on the future development of these ecosystems. The Richards equation (RE) is the standard model for water flow in soils, but it is not clear whether it can be applied to simulate water flow in live Sphagnum moss. To check the suitability of the RE to describe the water dynamics in drying moss and peat we conducted transient laboratory evaporation experiments on undisturbed samples from the entire acrotelm. The experimental data consisted of measured pressure heads in two depths and water fluxes, and were evaluated by inverse modelling using the RE as process model. The results showed that the measurements could be matched very well only if the soil hydraulic properties (SHPs) were represented by a suitable model. A successful parameterisation of the SHPs of the moss was based on pore-size distributions (PSD) which combine three distinct pore systems of the Sphagnum moss, reflecting an inter-, intra-, and inner-plant pore space. We had to extend the traditional van Genuchten-Mualem model to account for non-capillary water storage and flow to obtain consistent descriptions of the observations. For the deeper samples, the pedogenesis of the acrotelm, a process of compaction and biochemical degradation of the solid matrix, had considerably impact on the shape of the SHPs. The collapse of the inter-plant pores and their filling with smaller particles led gradually to bi-modal PSDs with increasing depth. This coincides with a homogenisation and a considerably reduction in horizontal variability of SHPs at greater depths. We conclude that the RE with adequate representation of SHPs is a valid process

  9. Unsaturated hydraulic properties of xerophilous mosses: towards implementation of moss covered soils in hydrological models

    NARCIS (Netherlands)

    Voortman, B.R.; Bartholomeus, R.P.; Bodegom, van P.M.; Gooren, H.P.A.; Zee, van der S.E.A.T.M.; Witte, J.P.M.

    2014-01-01

    Evaporation from mosses and lichens can form a major component of the water balance, especially in ecosystems where mosses and lichens often grow abundantly, such as tundra, deserts and bogs. To facilitate moss representation in hydrological models, we parameterized the unsaturated hydraulic

  10. Hydraulic properties of rice and the response of gas exchange to water stress.

    Science.gov (United States)

    Stiller, Volker; Lafitte, H Renee; Sperry, John S

    2003-07-01

    We investigated the role of xylem cavitation, plant hydraulic conductance, and root pressure in the response of rice (Oryza sativa) gas exchange to water stress. In the field (Philippines), the percentage loss of xylem conductivity (PLC) from cavitation exceeded 60% in leaves even in watered controls. The PLC versus leaf water potential relationship indicated diurnal refilling of cavitated xylem. The leaf water potential causing 50 PLC (P(50)) was -1.6 MPa and did not differ between upland versus lowland rice varieties. Greenhouse-grown varieties (Utah) were more resistant to cavitation with a 50 PLC of -1.9 MPa but also showed no difference between varieties. Six-day droughts caused concomitant reductions in leaf-specific photosynthetic rate, leaf diffusive conductance, and soil-leaf hydraulic conductance that were associated with cavitation-inducing water potentials and the disappearance of nightly root pressure. The return of root pressure after drought was associated with the complete recovery of leaf diffusive conductance, leaf-specific photosynthetic rate, and soil-leaf hydraulic conductance. Root pressure after the 6-d drought (61.2 +/- 8.8 kPa) was stimulated 7-fold compared with well-watered plants before drought (8.5 +/- 3.8 kPa). The results indicate: (a) that xylem cavitation plays a major role in the reduction of plant hydraulic conductance during drought, and (b) that rice can readily reverse cavitation, possibly aided by nocturnal root pressure.

  11. Influence of material deterioration on strength properties of hydraulic timber structures

    NARCIS (Netherlands)

    Gard, W.F.; Van de Kuilen, J.W.G.; Cabrera de Diego, M.

    2014-01-01

    Hydraulic timber structures such as mooring poles, fenders, lock gates and jetties are widely-used in inner and sea harbours all over the world. In general these structures give satisfactory performance with regard to the technical requirements. Because of the harsh exposure conditions such as

  12. Temporal variability of structure and hydraulic properties of topsoil of three soil types

    Czech Academy of Sciences Publication Activity Database

    Jirků, V.; Kodešová, R.; Nikodem, A.; Mühlhanselová, M.; Žigová, Anna

    204/205, August (2013), s. 43-58 ISSN 0016-7061 R&D Projects: GA ČR GA526/08/0434 Institutional support: RVO:67985831 Keywords : aggragate stability * soil -water retention curve * hydraulic conductivity * soil micromorphology * seasonal and annual variability Subject RIV: DF - Soil Science Impact factor: 2.509, year: 2013

  13. Hydraulic properties of 3D rough-walled fractures during shearing: An experimental study

    Science.gov (United States)

    Yin, Qian; Ma, Guowei; Jing, Hongwen; Wang, Huidong; Su, Haijian; Wang, Yingchao; Liu, Richeng

    2017-12-01

    This study experimentally analyzed the influence of shear processes on nonlinear flow behavior through 3D rough-walled rock fractures. A high-precision apparatus was developed to perform stress-dependent fluid flow tests of fractured rocks. Then, water flow tests on rough-walled fractures with different mechanical displacements were conducted. At each shear level, the hydraulic pressure ranged from 0 to 0.6 MPa, and the normal load varied from 7 to 35 kN. The results show that (i) the relationship between the volumetric flow rate and hydraulic gradient of rough-walled fractures can be well fit using Forchheimer's law. Notably, both the linear and nonlinear coefficients in Forchheimer's law decrease during shearing; (ii) a sixth-order polynomial function is used to evaluate the transmissivity based on the Reynolds number of fractures during shearing. The transmissivity exhibits a decreasing trend as the Reynolds number increases and an increasing trend as the shear displacement increases; (iii) the critical hydraulic gradient, critical Reynolds number and equivalent hydraulic aperture of the rock fractures all increase as the shear displacement increases. When the shear displacement varies from 0 to 15 mm, the critical hydraulic gradient ranges from 0.3 to 2.2 for a normal load of 7 kN and increases to 1.8-8.6 for a normal load of 35 kN; and (iv) the Forchheimer law results are evaluated by plotting the normalized transmissivity of the fractures during shearing against the Reynolds number. An increase in the normal load shifts the fitted curves downward. Additionally, the Forchheimer coefficient β decreases with the shear displacement but increases with the applied normal load.

  14. Modeling Thermal Pressurization Around Shallow Dikes Using Temperature-Dependent Hydraulic Properties: Implications for Deformation Around Intrusions

    Science.gov (United States)

    Townsend, Meredith R.

    2018-01-01

    Pressurization and flow of groundwater around igneous intrusions depend in part on the hydraulic diffusivity of the host rocks and processes that enhance diffusivity, such as fracturing, or decrease diffusivity, such as mineral precipitation during chemical alteration. Characterizing and quantifying the coupled effects of alteration, pore pressurization, and deformation have significant implications for deformation around intrusions, geothermal energy, contact metamorphism, and heat transfer at mid-ocean ridges. Fractures around dikes at Ship Rock, New Mexico, indicate that pore pressures in the host rocks exceeded hydrostatic conditions by at least 15 MPa following dike emplacement. Hydraulic measurements and petrographic analysis indicate that mineral precipitation clogged the pores of the host rock, reducing porosity from 0.25 to reducing permeability by 5 orders of magnitude. Field data from Ship Rock are used to motivate and constrain numerical models for thermal pore fluid pressurization adjacent to a meter-scale dike, using temperature-dependent hydraulic properties in the host rock as a proxy for porosity loss by mineral precipitation during chemical alteration. Reduction in permeability by chemical alteration has a negligible effect on pressurization. However, reduction in porosity by mineral precipitation increases fluid pressure by constricting pore volume and is identified as a potentially significant source of pressure. A scaling relationship is derived to determine when porosity loss becomes important; if permeability is low enough, pressurization by porosity loss outweighs pressurization by thermal expansion of fluids.

  15. Estimation of Hydraulic Parameters and Aquifer Properties for a Managed Aquifer Recharge Pilot Study in The Lower Mississippi River Basin

    Science.gov (United States)

    Ozeren, Y.; Rigby, J.; Holt, R. M.

    2017-12-01

    Mississippi River Valley Alluvial Aquifer (MRVAA) is the major irrigation water resource in the in the lower Mississippi River basin. MRVAA has been significantly depleted in the last two decades due to excessive pumping. A wide range of measures to ensure sustainable groundwater supply in the region is currently under investigation. One of the possible solution under consideration is to use Managed Aquifer Recharge (MAR) by artificial recharge. The proposed artificial recharge technique in this study is to collect water through bank filtration, transfer water via pipeline to the critically low groundwater areas by a set of injection wells. A pilot study in the area is underway to investigate the possibility of artificial recharge in the area. As part of this study, a pumping test was carried out on an existing irrigation well along banks of Tallahatchie River near Money, MS. Geophysical surveys were also carried out in the pilot study area. Hydraulic response of the observation wells was used to determine stream bed conductance and aquifer parameters. The collected hydraulic parameters and aquifer properties will provide inputs for small-scale, high-resolution engineering model for abstraction-injection hydraulics along river. Here, preliminary results of the pilot study is presented.

  16. Properties of electronic emissions of semiconductors III-IV in a status of negative electron affinity

    International Nuclear Information System (INIS)

    Piaget, Claude

    1977-01-01

    This research thesis reports the use of various properties (electron emission, photo emission, secondary electron emission) to highlight the relationships between various solid properties (optical, electronic, structural properties), surfaces (clean or covered with adsorbates such as caesium and oxygen) and emission properties (quantum efficiency, energy distribution, and so on). The first part addresses applications, performance, physical properties and technological processes, and also problems related to the physics and chemistry of surfaces and adsorption layers. The second part reports a study of the main electron transport properties in emitters displaying a negative electron affinity, for example GaP. Some aspects of electron excitation by ultra-violet radiations and high energy electrons are studied from UV photo-emission properties and secondary electron emission. Then GaAs and similar pseudo-binary compounds are studied

  17. Electronic processes in organic electronics bridging nanostructure, electronic states and device properties

    CERN Document Server

    Kudo, Kazuhiro; Nakayama, Takashi; Ueno, Nobuo

    2015-01-01

    The book covers a variety of studies of organic semiconductors, from fundamental electronic states to device applications, including theoretical studies. Furthermore, innovative experimental techniques, e.g., ultrahigh sensitivity photoelectron spectroscopy, photoelectron yield spectroscopy, spin-resolved scanning tunneling microscopy (STM), and a material processing method with optical-vortex and polarization-vortex lasers, are introduced. As this book is intended to serve as a textbook for a graduate level course or as reference material for researchers in organic electronics and nanoscience from electronic states, fundamental science that is necessary to understand the research is described. It does not duplicate the books already written on organic electronics, but focuses mainly on electronic properties that arise from the nature of organic semiconductors (molecular solids). The new experimental methods introduced in this book are applicable to various materials (e.g., metals, inorganic and organic mater...

  18. Extraordinary electronic properties in uncommon structure types

    Science.gov (United States)

    Ali, Mazhar Nawaz

    In this thesis I present the results of explorations into several uncommon structure types. In Chapter 1 I go through the underlying idea of how we search for new compounds with exotic properties in solid state chemistry. The ideas of exploring uncommon structure types, building up from the simple to the complex, using chemical intuition and thinking by analogy are discussed. Also, the history and basic concepts of superconductivity, Dirac semimetals, and magnetoresistance are briefly reviewed. In chapter 2, the 1s-InTaS2 structural family is introduced along with the discovery of a new member of the family, Ag0:79VS2; the synthesis, structure, and physical properties of two different polymorphs of the material are detailed. Also in this chapter, we report the observation of superconductivity in another 1s structure, PbTaSe2. This material is especially interesting due to it being very heavy (resulting in very strong spin orbit coulping (SOC)), layered, and noncentrosymmetric. Electronic structure calculations reveal the presence of a bulk 3D Dirac cone (very similar to graphene) that is gapped by SOC originating from the hexagonal Pb layer. In Chapter 3 we show the re-investigation of the crystal structure of the 3D Dirac semimetal, Cd3As2. It is found to be centrosymmetric, rather than noncentrosymmetric, and as such all bands are spin degenerate and there is a 4-fold degenerate bulk Dirac point at the Fermi level, making Cd3As2 a 3D electronic analog to graphene. Also, for the first time, scanning tunneling microscopy experiments identify a 2x2 surface reconstruction in what we identify as the (112) cleavage plane of single crystals; needle crystals grow with a [110] long axis direction. Lastly, in chapter 4 we report the discovery of "titanic" (sadly dubbed ⪉rge, nonsaturating" by Nature editors and given the acronym XMR) magnetoresistance (MR) in the non-magnetic, noncentrosymmetric, layered transition metal dichalcogenide WTe2; over 13 million% at 0.53 K in

  19. Evaluating the hydraulic and transport properties of peat soil using pore network modeling and X-ray micro computed tomography

    Science.gov (United States)

    Gharedaghloo, Behrad; Price, Jonathan S.; Rezanezhad, Fereidoun; Quinton, William L.

    2018-06-01

    Micro-scale properties of peat pore space and their influence on hydraulic and transport properties of peat soils have been given little attention so far. Characterizing the variation of these properties in a peat profile can increase our knowledge on the processes controlling contaminant transport through peatlands. As opposed to the common macro-scale (or bulk) representation of groundwater flow and transport processes, a pore network model (PNM) simulates flow and transport processes within individual pores. Here, a pore network modeling code capable of simulating advective and diffusive transport processes through a 3D unstructured pore network was developed; its predictive performance was evaluated by comparing its results to empirical values and to the results of computational fluid dynamics (CFD) simulations. This is the first time that peat pore networks have been extracted from X-ray micro-computed tomography (μCT) images of peat deposits and peat pore characteristics evaluated in a 3D approach. Water flow and solute transport were modeled in the unstructured pore networks mapped directly from μCT images. The modeling results were processed to determine the bulk properties of peat deposits. Results portray the commonly observed decrease in hydraulic conductivity with depth, which was attributed to the reduction of pore radius and increase in pore tortuosity. The increase in pore tortuosity with depth was associated with more decomposed peat soil and decreasing pore coordination number with depth, which extended the flow path of fluid particles. Results also revealed that hydraulic conductivity is isotropic locally, but becomes anisotropic after upscaling to core-scale; this suggests the anisotropy of peat hydraulic conductivity observed in core-scale and field-scale is due to the strong heterogeneity in the vertical dimension that is imposed by the layered structure of peat soils. Transport simulations revealed that for a given solute, the effective

  20. An Improved Rate-Transient Analysis Model of Multi-Fractured Horizontal Wells with Non-Uniform Hydraulic Fracture Properties

    Directory of Open Access Journals (Sweden)

    Youwei He

    2018-02-01

    Full Text Available Although technical advances in hydraulically fracturing and drilling enable commercial production from tight reservoirs, oil/gas recovery remains at a low level. Due to the technical and economic limitations of well-testing operations in tight reservoirs, rate-transient analysis (RTA has become a more attractive option. However, current RTA models hardly consider the effect of the non-uniform production on rate decline behaviors. In fact, PLT results demonstrate that production profile is non-uniform. To fill this gap, this paper presents an improved RTA model of multi-fractured horizontal wells (MFHWs to investigate the effects of non-uniform properties of hydraulic fractures (production of fractures, fracture half-length, number of fractures, fracture conductivity, and vertical permeability on rate transient behaviors through the diagnostic type curves. Results indicate obvious differences on the rate decline curves among the type curves of uniform properties of fractures (UPF and non-uniform properties of fractures (NPF. The use of dimensionless production integral derivative curve magnifies the differences so that we can diagnose the phenomenon of non-uniform production. Therefore, it’s significant to incorporate the effects of NPF into the RDA models of MFHWs, and the model proposed in this paper enables us to better evaluate well performance based on long-term production data.

  1. Handbook on lead-bismuth eutectic alloy and lead properties, materials compatibility, thermal-hydraulics and technologies

    International Nuclear Information System (INIS)

    2007-01-01

    As part of the development of advanced nuclear systems, including accelerator-driven systems (ADS) proposed for high-level radioactive waste transmutation and generation IV reactors, heavy liquid metals such as lead (Pb) or lead-bismuth eutectic (LBE) are under evaluation as reactor core coolant and ADS neutron target material. Heavy liquid metals are also being envisaged as target materials for high-power neutron spallation sources. The objective of this handbook is to collate and publish properties and experimental results on Pb and LBE in a consistent format in order to provide designers with a single source of qualified properties and data and to guide subsequent development efforts. The handbook covers liquid Pb and LBE properties, materials compatibility and testing issues, key aspects of the thermal-hydraulics and system technologies, existing test facilities, open issues and perspectives. (author)

  2. Hydraulic Property and Soil Textural Classification Measurements for Rainier Mesa, Nevada Test Site, Nevada

    Science.gov (United States)

    Ebel, Brian A.; Nimmo, John R.

    2010-01-01

    This report presents particle size analysis, field-saturated hydraulic conductivity measurements, and qualitative descriptions of surficial materials at selected locations at Rainier Mesa, Nevada. Measurements and sample collection were conducted in the Rainier Mesa area, including unconsolidated sediments on top of the mesa, an ephemeral wash channel near the mesa edge, and dry U12n tunnel pond sediments below the mesa. Particle size analysis used a combination of sieving and optical diffraction techniques. Field-saturated hydraulic conductivity measurements employed a single-ring infiltrometer with analytical formulas that correct for falling head and spreading outside the ring domain. These measurements may prove useful to current and future efforts at Rainier Mesa aimed at understanding infiltration and its effect on water fluxes and radionuclide transport in the unsaturated zone.

  3. Swelling and hydraulic properties of Ca-bentonite for the buffer of a waste repository

    International Nuclear Information System (INIS)

    Lee, J.O.; Cho, W.J.; Kang, C.H.; Chun, K.S.

    2001-01-01

    Swelling and hydraulic tests were carried out to provide the information for the selection of buffer material in a radioactive waste repository. Ca-bentonite and de-ionized water were used for the tests. The swelling pressures of compacted bentonite were in the wide range of 0.7 Kg/cm 2 to 190.2 Kg/cm 2 , and they largely increased with an increase in the dry density and bentonite content. However, the swelling pressures decreased with increasing the initial water content and beyond about 12 wt.% of the initial water content, leveled off to a nearly constant value. The hydraulic conductivities were lower than 10 -11 m/s for the compacted bentonite with the dry density higher than 1.4 Mg/m 3 . They increased with increasing temperature in the range of 20 deg. C to 150 deg. C. (author)

  4. Observations of a potential size-effect in experimental determination of the hydraulic properties of fractures

    International Nuclear Information System (INIS)

    Witherspoon, P.A.; Amick, C.H.; Gale, J.E.; Iwai, K.

    1979-05-01

    In several recent investigations, experimental studies on the effect of normal stress on the hydraulic conductivity of a single fracture were made on three rock specimens ranging in cross-sectional area from 0.02 m 2 to over 1.0 m 2 . At the maximum stress levels that could be attained (10 to 20 MPa), minimum values of the fracture hydraulic conductivity were not the same for each rock specimen. These minimum values increased with specimen size, indicating that the determination of fracture conductivity may be significantly influenced by a size effect. The implications of these results are important. Cores collected in the field are normally not larger than 0.15 m in diameter. However, the results of this work suggest that when this size core is used for laboratory investigations, the results may be nonconservative in that fracture permeabilities will be significantly lower than will be found in the field. 6 figures

  5. Effects of prescribed burning on ecophysiological, anatomical and stem hydraulic properties in Pinus pinea L.

    Science.gov (United States)

    Battipaglia, Giovanna; Savi, Tadeja; Ascoli, Davide; Castagneri, Daniele; Esposito, Assunta; Mayr, Stefan; Nardini, Andrea

    2016-08-01

    Prescribed burning (PB) is a widespread management technique for wildfire hazard abatement. Understanding PB effects on tree ecophysiology is key to defining burn prescriptions aimed at reducing fire hazard in Mediterranean pine plantations, such as Pinus pinea L. stands. We assessed physiological responses of adult P. pinea trees to PB using a combination of dendroecological, anatomical, hydraulic and isotopic analyses. Tree-ring widths, xylem cell wall thickness, lumen area, hydraulic diameter and tree-ring δ(13)C and δ(18)O were measured in trees on burned and control sites. Vulnerability curves were elaborated to assess tree hydraulic efficiency or safety. Despite the relatively intense thermal treatment (the residence time of temperatures above 50 °C at the stem surface ranged between 242 and 2239 s), burned trees did not suffer mechanical damage to stems, nor significant reduction in radial growth. Moreover, the PB did not affect xylem structure and tree hydraulics. No variations in (13)C-derived water use efficiency were recorded. This confirmed the high resistance of P. pinea to surface fire at the stem base. However, burned trees showed consistently lower δ(18)O values in the PB year, as a likely consequence of reduced competition for water and nutrients due to the understory burning, which increased both photosynthetic activity and stomatal conductance. Our multi-approach analysis offers new perspectives on post-fire survival strategies of P. pinea in an environment where fires are predicted to increase in frequency and severity during the 21st century. © The Author 2016. Published by Oxford University Press. All rights reserved. For Permissions, please email: journals.permissions@oup.com.

  6. Hydraulic Properties of Porous Media Saturated with Nanoparticle-Stabilized Air-Water Foam

    Directory of Open Access Journals (Sweden)

    Xianglei Zheng

    2016-12-01

    Full Text Available The foam generated by the mixture of air and water has a much higher viscosity and lower mobility than those of pure water or gas that constitutes the air-water foam. The possibility of using the air-water foam as a flow barrier for the purpose of groundwater and soil remediation is explored in this paper. A nanoparticle-stabilized air-water foam was fabricated by vigorously stirring the nano-fluid in pressurized condition. The foam bubble size distribution was analyzed with a microscope. The viscosities of foams generated with the solutions with several nanoparticle concentrations were measured as a function of time. The breakthrough pressure of foam-saturated microfluidic chips and sand columns were obtained. The hydraulic conductivity of a foam-filled sand column was measured after foam breakthrough. The results show that: (1 bubble coalescence and the Ostwald ripening are believed to be the reason of bubble size distribution change; (2 the viscosity of nanoparticle-stabilized foam and the breakthrough pressures decreased with time once the foam was generated; (3 the hydraulic conductivity of the foam-filled sand column was almost two orders of magnitude lower than that of a water-saturated sand column even after the foam-breakthrough. Based on the results in this study, the nanoparticle-stabilized air-water foam could be injected into contaminated soils to generate vertical barriers for temporary hydraulic conductivity reduction.

  7. Linking root hydraulic properties to carbon allocation patterns in annual plant

    Science.gov (United States)

    Hosseini, A.; Ewers, B. E.; Adjesiwor, A. T.; Kniss, A. R.

    2017-12-01

    Incorporation of root structure and function into biophysical models is an important tool to predict plant water and nutrient uptake from the soil, plant carbon (C) assimilation, partitioning and release to the soils. Most of the models describing root water uptake (RWU) are based on semi-empirical (i.e. built on physiological hypotheses, but still combined with empirical functions) approaches and hydraulic parameters involved are hardly available. Root conductance is essential to define the interaction between soil-to-root and canopy-to-atmosphere. Also root hydraulic limitations to water flow can impact gas exchange rates and plant biomass partitioning. In this study, sugar beet (B. vulgaris) seeds under two treatments, grass (Kentucky bluegrass) and no grass (control), were planted in 19 L plastic buckets in June 2016. Photosynthetic characteristics (e.g. gas exchange and chlorophyll fluorescence), leaf morphology and anatomy, root morphology and above and below ground biomass of the plants was monitored at 15, 30, 50, 70 and 90 days after planting (DAP). Further emphasis was placed on the limits to water flow by coupling of hydraulic conductance (k) whole root-system with water relation parameters and gas exchange rates in fully established plants.

  8. Electronic properties of superlattices on quantum rings.

    Science.gov (United States)

    da Costa, D R; Chaves, A; Ferreira, W P; Farias, G A; Ferreira, R

    2017-04-26

    We present a theoretical study of the one-electron states of a semiconductor-made quantum ring (QR) containing a series of piecewise-constant wells and barriers distributed along the ring circumference. The single quantum well and the superlattice cases are considered in detail. We also investigate how such confining potentials affect the Aharonov-Bohm like oscillations of the energy spectrum and current in the presence of a magnetic field. The model is simple enough so as to allow obtaining various analytical or quasi-analytical results. We show that the well-in-a-ring structure presents enhanced localization features, as well as specific geometrical resonances in its above-barrier spectrum. We stress that the superlattice-in-a-ring structure allows giving a physical meaning to the often used but usually artificial Born-von-Karman periodic conditions, and discuss in detail the formation of energy minibands and minigaps for the circumferential motion, as well as several properties of the superlattice eigenstates in the presence of the magnetic field. We obtain that the Aharonov-Bohm oscillations of below-barrier miniband states are reinforced, owing to the important tunnel coupling between neighbour wells of the superlattice, which permits the electron to move in the ring. Additionally, we analysis a superlattice-like structure made of a regular distribution of ionized impurities placed around the QR, a system that may implement the superlattice in a ring idea. Finally, we consider several random disorder models, in order to study roughness disorder and to tackle the robustness of some results against deviations from the ideally nanostructured ring system.

  9. Reactive transport modelling to infer changes in soil hydraulic properties induced by non-conventional water irrigation

    Science.gov (United States)

    Valdes-Abellan, Javier; Jiménez-Martínez, Joaquín; Candela, Lucila; Jacques, Diederik; Kohfahl, Claus; Tamoh, Karim

    2017-06-01

    The use of non-conventional water (e.g., treated wastewater, desalinated water) for different purposes is increasing in many water scarce regions of the world. Its use for irrigation may have potential drawbacks, because of mineral dissolution/precipitation processes, such as changes in soil physical and hydraulic properties (e.g., porosity, permeability), modifying infiltration and aquifer recharge processes or blocking root growth. Prediction of soil and groundwater impacts is essential for achieving sustainable agricultural practices. A numerical model to solve unsaturated water flow and non-isothermal multicomponent reactive transport has been modified implementing the spatio-temporal evolution of soil physical and hydraulic properties. A long-term process simulation (30 years) of agricultural irrigation with desalinated water, based on a calibrated/validated 1D numerical model in a semi-arid region, is presented. Different scenarios conditioning reactive transport (i.e., rainwater irrigation, lack of gypsum in the soil profile, and lower partial pressure of CO2 (pCO2)) have also been considered. Results show that although boundary conditions and mineral soil composition highly influence the reactive processes, dissolution/precipitation of carbonate species is triggered mainly by pCO2, closely related to plant roots. Calcite dissolution occurs in the root zone, precipitation takes place under it and at the soil surface, which will lead a root growth blockage and a direct soil evaporation decrease, respectively. For the studied soil, a gypsum dissolution up to 40 cm depth is expected at long-term, with a general increase of porosity and hydraulic conductivity.

  10. Electronic properties of high Tc superconductors

    International Nuclear Information System (INIS)

    Rojo, A.G.

    1989-01-01

    Using analytical and numerical methods, the electronic properties of the copper-oxygen plane in the normal phase of high Tc superconductors are described. Using the slave-boson technique in the saddle point, a theory of the metal insulator transition which generalizes the notions of a Mott insulator to the case of more than a single band for those planes is presented. A phase-diagram is obtained in the parameter space and effective masses, optical gaps and metallization are calculated as a function of the number of carriers. Based on the experimental evidence, the theory permits classification of superconducting compounds as charge transfer insulators in the stoichiometric case. The insulator state is characterized by a non-zero optical gap and a divergent effective mass which corresponds to the breakage of a Fermi-liquid scheme. The results obtained are applicable to metal-transition-oxides whose behaviour has been traditionally controversial and it is concluded that it is necessary to broaden the meaning of a Mott insulator to the case of more than a single band to better understand them. Based on the ideas of group renormalization in a real space, a lattice approximation is presented, which allows: a) To complement the treatment of slave-bosons in phase diagrams and optical gaps; b) Identification of an attraction mechanism between carriers originating from purely repulsive interactions. Numerical calculations in small clusters show the existence of a pairing mechanism showing a superconducting instability from a charge transfer insulator. (Author) [es

  11. Greenland Analogue Project - Hydraulic properties of deformation zones and fracture domains at Forsmark, Laxemar and Olkiluoto for usage together with Geomodel version 1

    International Nuclear Information System (INIS)

    Follin, Sven; Stigsson, Martin; Rhen, Ingvar; Engstroem, Jon; Klint, Knut Erik

    2011-05-01

    The database of the GAP site is under development. In order to meet the data needs of the different modelling teams working with groundwater flow modelling it has been decided to compile trial data sets comprising structural-hydraulic properties suitable for flow modelling on different scales. The properties provided in this report are based on data and groundwater flow modelling studies conducted for three sites located in the Fennoscandian Shield, two of which are studied by SKB, Forsmark and Laxemar, and one by Posiva, Olkiluoto. The provided hydraulic properties provided here are simplified to facilitate a readily usage together with the GAP Geomodel version 1

  12. Greenland Analogue Project - Hydraulic properties of deformation zones and fracture domains at Forsmark, Laxemar and Olkiluoto for usage together with Geomodel version 1

    Energy Technology Data Exchange (ETDEWEB)

    Follin, Sven (SF GeoLogic AB (Sweden)); Stigsson, Martin (Swedish Nuclear Fuel and Waste Management Co., Stockholm (Sweden)); Rhen, Ingvar (Sweco Environment AB (Sweden)); Engstroem, Jon (Geologian tutkimuskeskus (Finland)); Klint, Knut Erik (De Nationale Geologiske Undersoegelser for Danmark og Groenland (Denmark))

    2011-05-15

    The database of the GAP site is under development. In order to meet the data needs of the different modelling teams working with groundwater flow modelling it has been decided to compile trial data sets comprising structural-hydraulic properties suitable for flow modelling on different scales. The properties provided in this report are based on data and groundwater flow modelling studies conducted for three sites located in the Fennoscandian Shield, two of which are studied by SKB, Forsmark and Laxemar, and one by Posiva, Olkiluoto. The provided hydraulic properties provided here are simplified to facilitate a readily usage together with the GAP Geomodel version 1.

  13. Hydraulic properties and fine root mass of Larix sibirica along forest edge-interior gradients

    Science.gov (United States)

    Chenlemuge, Tselmeg; Dulamsuren, Choimaa; Hertel, Dietrich; Schuldt, Bernhard; Leuschner, Christoph; Hauck, Markus

    2015-02-01

    At its southernmost distribution limit in Inner Asia, the boreal forest disintegrates into forest fragments on moist sites (e.g. north-facing slopes), which are embedded in grasslands. This landscape mosaic is characterized by a much higher forest edge-to-interior ratio than in closed boreal forests. Earlier work in the forest-steppe ecotone of Mongolia has shown that Larix sibirica trees at forest edges grow faster than in the forest interior, as the more xeric environment at the edge promotes self-thinning and edges are preferentially targeted by selective logging and livestock grazing. Lowered stand density reduces competition for water in these semi-arid forests, where productivity is usually limited by summer drought. We studied how branch and coarse root hydraulic architecture and xylem conductivity, fine root biomass and necromass, and fine root morphology of L. sibirica respond to sites differing in water availability. Studying forest edge-interior gradients in two regions of western Mongolia, we found a significant reduction of branch theoretical (Kp) and empirical conductivity (Ks) in the putatively more drought-affected forest interior in the Mongolian Altai (mean precipitation: 120 mm yr-1), while no branch xylem modification occurred in the moister Khangai Mountains (215 mm yr-1). Kp and Ks were several times larger in roots than in branches, but root hydraulics were not influenced by stand density or mean annual precipitation. Very low fine root biomass: necromass ratios at all sites, and in the forest interior in particular, suggest that L. sibirica seeks to maintain a relatively high root conductivity by producing large conduits, which results in high root mortality due to embolism during drought. Our results suggest that L. sibirica is adapted to the semi-arid climate at its southernmost distribution limit by considerable plasticity of the branch hydraulic system and a small but apparently dynamic fine root system.

  14. Impact of land-use change on hydraulic properties of wettable and hydrophobic soils

    Czech Academy of Sciences Publication Activity Database

    Lichner, Ľ.; Nagy, V.; Houšková, B.; Šír, Miloslav; Tesař, Miroslav

    2008-01-01

    Roč. 36, Suppl. 5 (2008), s. 1599-1602 ISSN 0133-3720. [Alps Adria Scientific Workshop /7./. Stará Lesná, 28.04.2008-01.05.2008] R&D Projects: GA ČR GA205/06/0375; GA ČR GA205/08/1174; GA MŽP(CZ) SP/1A6/151/07 Grant - others:APVV(XE) SK-CZ-0066-07 Institutional research plan: CEZ:AV0Z20600510 Keywords : wettable soil * hydrophobic soil * hydraulic conductivity * bypassing ratio Subject RIV: DA - Hydrology ; Limnology Impact factor: 1.190, year: 2007

  15. Verifying the prevalence, properties, and congruent hydraulics of at-many-stations hydraulic geometry (AMHG) for rivers in the continental United States

    Science.gov (United States)

    Barber, Caitline A.; Gleason, Colin J.

    2018-01-01

    Hydraulic geometry (HG) has long enabled daily discharge estimates, flood risk monitoring, and water resource and habitat assessments, among other applications. At-many-stations HG (AMHG) is a newly discovered form of HG with an evolving understanding. AMHG holds that there are temporally and spatially invariant ('congruent') depth, width, velocity, and discharge values that are shared by all stations of a river. Furthermore, these river-wide congruent hydraulics have been shown to link at-a-station HG (AHG) in space, contrary to previous expectation of AHG as spatially unpredictable. To date, AMHG has only been thoroughly examined on six rivers, and its congruent hydraulics are not well understood. To address the limited understanding of AMHG, we calculated AMHG for 191 rivers in the United States using USGS field-measured data from over 1900 gauging stations. These rivers represent nearly all geologic and climatic settings found in the continental U.S. and allow for a robust assessment of AMHG across scales. Over 60% of rivers were found to have AMHG with strong explanatory power to predict AHG across space (defined as r2 > 0.6, 118/191 rivers). We also found that derived congruent hydraulics bear little relation to their observed time-varying counterparts, and the strength of AMHG did not correlate with any available observed or congruent hydraulic parameters. We also found that AMHG is expressed at all fluvial scales in this study. Some statistically significant spatial clusters of rivers with strong and weak AMHG were identified, but further research is needed to identify why these clusters exist. Thus, this first widespread empirical investigation of AMHG leads us to conclude that AMHG is indeed a widely prevalent natural fluvial phenomenon, and we have identified linkages between known fluvial parameters and AMHG. Our work should give confidence to future researchers seeking to perform the necessary detailed hydraulic analysis of AMHG.

  16. Hydraulic properties for interrill erosion on steep slopes using a portable rainfall simulator

    Science.gov (United States)

    Shin, Seung Sook; Hwang, Yoonhee; Deog Park, Sang; Yun, Minu; Park, Sangyeon

    2017-04-01

    The hydraulic parameters for sheet flow on steep slopes have been not frequently measured because the shallow flow depth and slow flow velocity are difficult to measure. In this study hydraulic values of sheet flow were analyzed to evaluate interrill erosion on steep slopes. A portable rainfall simulator was used to conduct interrill erosion test. The kinetic energy of rainfall simulator was obtained by disdrometer being capable of measuring the drop size distribution and velocity of falling raindrops. The sheet flow velocity was determined by the taken time for a dye transferring fixed points using video images. Surface runoff discharge and sediment yield increased with increase of rainfall intensity and kinetic energy and slope steepness. Especially sediment yield was strongly correlated with sheet flow velocity. The maximum velocity of sheet flow was 2.3cm/s under rainfall intensity of 126.8mm/h and slope steepness of 53.2%. The sheet flow was laminar and subcritical flow as the flow Reynolds number and Froude number are respectively the ranges of 10 22 and 0.05 0.25. The roughness coefficient (Manning's n) for sheet flow on steep slopes was relatively large compared to them on the gentle slope. Keywords: Sheet flow velocity; Rainfall simulator; Interrill erosion; Steep slope This work was supported by the National Research Foundation of Korea(NRF) grant funded by the Korea government(MSIP) (No. 2015R1C1A2A01055469).

  17. Regional characterisation of hydraulic properties of rock using air-lift data

    Science.gov (United States)

    Wladis, David; Gustafson, Gunnar

    Hydrogeologic studies are commonly data-intense. In particular, estimations of hydraulic properties of hard rock often require large amounts of data. In many countries, large quantities of hydrogeologic data have been collected and archived over the years. Therefore, the use of existing data may provide a cost-efficient alternative to collecting new data in early stages of hydrogeologic studies, although the available data may be considered imprecise. Initially, however, the potential usefulness, i.e., the expected accuracy, of the available data in each specific case must be carefully examined. This study investigates the possibilities of obtaining estimates of transmissivity from hard-rock air-lift data in Sweden within an order of magnitude of results obtained from high-quality injection-test data. The expected accuracy of the results was examined analytically and by means of statistical methods. The results were also evaluated by comparison with injection-test data. The results indicate that air-lift data produce estimates of transmissivity within an order of magnitude compared to injection-test data in the studied examples. The study also shows that partial penetration and hydrofracturing may only affect the estimations approximately half an order of magnitude. Thus, existing data may provide a cost-efficient alternative to collection of new data in early stages of hydrogeologic studies. Résumé Les études hydrogéologiques reposent en général sur un nombre important de données. En particulier, l'estimation des propriétés hydrauliques des roches indurées exige souvent un grand nombre de données. Dans de nombreuses régions, des données hydrogéologiques très nombreuses ont été recueillies et archivées depuis longtemps. C'est pourquoi le recours à des données existantes peut être une alternative intéressante en termes de coût par rapport à l'obtention de nouvelles données dans les premières étapes des études hydrogéologiques, même si

  18. Electron impact phenomena and the properties of gaseous ions

    CERN Document Server

    Field, F H; Massey, H S W; Brueckner, Keith A

    1970-01-01

    Electron Impact Phenomena and the Properties of Gaseous Ions, Revised Edition deals with data pertaining to electron impact and to molecular gaseous ionic phenomena. This book discusses electron impact phenomena in gases at low pressure that involve low-energy electrons, which result in ion formation. The text also describes the use of mass spectrometers in electron impact studies and the degree of accuracy obtained when measuring electron impact energies. This book also reviews relatively low speed electrons and the transitions that result in the ionization of the atomic system. This text the

  19. Water movement through plant roots - exact solutions of the water flow equation in roots with linear or exponential piecewise hydraulic properties

    Science.gov (United States)

    Meunier, Félicien; Couvreur, Valentin; Draye, Xavier; Zarebanadkouki, Mohsen; Vanderborght, Jan; Javaux, Mathieu

    2017-12-01

    In 1978, Landsberg and Fowkes presented a solution of the water flow equation inside a root with uniform hydraulic properties. These properties are root radial conductivity and axial conductance, which control, respectively, the radial water flow between the root surface and xylem and the axial flow within the xylem. From the solution for the xylem water potential, functions that describe the radial and axial flow along the root axis were derived. These solutions can also be used to derive root macroscopic parameters that are potential input parameters of hydrological and crop models. In this paper, novel analytical solutions of the water flow equation are developed for roots whose hydraulic properties vary along their axis, which is the case for most plants. We derived solutions for single roots with linear or exponential variations of hydraulic properties with distance to root tip. These solutions were subsequently combined to construct single roots with complex hydraulic property profiles. The analytical solutions allow one to verify numerical solutions and to get a generalization of the hydric behaviour with the main influencing parameters of the solutions. The resulting flow distributions in heterogeneous roots differed from those in uniform roots and simulations led to more regular, less abrupt variations of xylem suction or radial flux along root axes. The model could successfully be applied to maize effective root conductance measurements to derive radial and axial hydraulic properties. We also show that very contrasted root water uptake patterns arise when using either uniform or heterogeneous root hydraulic properties in a soil-root model. The optimal root radius that maximizes water uptake under a carbon cost constraint was also studied. The optimal radius was shown to be highly dependent on the root hydraulic properties and close to observed properties in maize roots. We finally used the obtained functions for evaluating the impact of root maturation

  20. Water movement through plant roots – exact solutions of the water flow equation in roots with linear or exponential piecewise hydraulic properties

    Directory of Open Access Journals (Sweden)

    F. Meunier

    2017-12-01

    Full Text Available In 1978, Landsberg and Fowkes presented a solution of the water flow equation inside a root with uniform hydraulic properties. These properties are root radial conductivity and axial conductance, which control, respectively, the radial water flow between the root surface and xylem and the axial flow within the xylem. From the solution for the xylem water potential, functions that describe the radial and axial flow along the root axis were derived. These solutions can also be used to derive root macroscopic parameters that are potential input parameters of hydrological and crop models. In this paper, novel analytical solutions of the water flow equation are developed for roots whose hydraulic properties vary along their axis, which is the case for most plants. We derived solutions for single roots with linear or exponential variations of hydraulic properties with distance to root tip. These solutions were subsequently combined to construct single roots with complex hydraulic property profiles. The analytical solutions allow one to verify numerical solutions and to get a generalization of the hydric behaviour with the main influencing parameters of the solutions. The resulting flow distributions in heterogeneous roots differed from those in uniform roots and simulations led to more regular, less abrupt variations of xylem suction or radial flux along root axes. The model could successfully be applied to maize effective root conductance measurements to derive radial and axial hydraulic properties. We also show that very contrasted root water uptake patterns arise when using either uniform or heterogeneous root hydraulic properties in a soil–root model. The optimal root radius that maximizes water uptake under a carbon cost constraint was also studied. The optimal radius was shown to be highly dependent on the root hydraulic properties and close to observed properties in maize roots. We finally used the obtained functions for evaluating the impact

  1. Thermal and hydraulic properties of the concrete used in the ILW repository of El Cabril (Spain). Preliminary laboratory tests

    International Nuclear Information System (INIS)

    Villar, Maria Victoria

    2012-01-01

    This work is a contribution to the understanding of the behaviour of concrete barriers in surface (low and intermediate-level) waste disposal facilities, in particular in the Spanish disposal facility of El Cabril, where the waste containers are placed inside concrete cells. The durability of concrete and its mechanical properties are intrinsically bound to moisture transport effects, especially when it is subjected to repeated wetting and drying regimes, and that is why a detailed thermo-hydraulic characterisation is necessary to model its behaviour. The concrete used in this experimental work has a characteristic strength of 350 kp/cm 2 and uses ordinary Portland cement, resistant to sulphates and seawater, with a water/cement ratio of 0.43. Its average pore size is 0.03 micrometer. In addition to the determination of the thermal conductivity of concrete as a function of water content, a hydraulic characterisation - including determination of saturated permeability, permeability to gas for different degrees of saturation and water retention curves - has been performed

  2. Parametric study of the stability properties of a thermo hydraulic channel coupled to punctual kinetics

    International Nuclear Information System (INIS)

    Cecenas F, M.; Campos G, R.M.

    2005-01-01

    The reason of decay is the indicator of stability usually used in the literature to evaluate stability of boiling water reactors, however, in the operation of this type of reactors is considered the length of boiling like an auxiliary parameter for the evaluation of stability. In this work its are studied the variation of these two indicators when modifying a given an operation parameter in a model of a thermo hydraulic channel coupled to punctual kinetics, maintaining all the other input constant variables. The parameters selected for study are the axial profile of power, the subcooling, the flow of coolant and the thermal power. The study is supplemented by means of real data of plant using the one Benchmark of Ringhals, and the results for the case of the ratio of decay its are compared with the decay reasons obtained by means of autoregression models of the local instrumentation of neutron flux. (Author)

  3. Research on Construction Optimization of Three-Connected-Arch Hydraulic Underground Cavities Considering Creep Property

    Directory of Open Access Journals (Sweden)

    Bao-yun Zhao

    2014-01-01

    Full Text Available In order to prevent the creep of surrounding rock in long-term construction, with consideration of different construction methods and other factors during the construction of large-scale underground cavity, three different construction schemes are designed for specific projects and a nonlinear viscoelastic-plastic creep model which can describe rock accelerated creeping is introduced and applied to construction optimization calculation of the large-scale three-connected-arch hydraulic underground cavity through secondary development of FLAC3D. The results show that the adoption of middle cavity construction method, the second construction method, enables the maximum vault displacement of 16.04 mm. This method results in less stress redistribution and plastic zone expansion to the cavity’s surrounding rock than the other two schemes, which is the safest construction scheme. The conclusion can provide essential reference and guidance to similar engineering for construction optimization.

  4. EFFECT OF HYDRAULIC AND GEOMETRICAL PROPERTIES ON STEPPED CASCADE AERATION SYSTEM

    Directory of Open Access Journals (Sweden)

    VEDHACHALAM RATHINAKUMAR

    2017-03-01

    Full Text Available Stepped cascade aeration system is commonly used to aerate the water and wastewater to increase the dissolved oxygen during pre and post treatment process. In the present research, experiments were conducted to evaluate the performance of a rectangular Cascade Aeration System with varying flow rates, risers and tread by maintaining constant width of the channel using water collected from reverse osmosis plant. The experiments were carried out with four different risers such as 0.15 m, 0.18 m, 0.225 m and 0.30 m. Each rise was investigated with five different tread of 0.60 m, 0.55 m, 0.50 m, 0.45 m and 0.40 m. Comprehensive experimental investigations were carried out for different hydraulic loading rates of 0.005 to 0.035 m3/s/m2. Results obtained from the experiments reveals that increasing dimensionless discharges promotes more aeration, attains a maximum up to dimensionless discharge= 2.22 and beyond this there was a significant decrease in aeration. In addition, the increased in number of steps significantly enhances air entertainment and surface fall rate in the Stepped Cascade Aeration System. A regression equation was derived by keeping aeration efficiency as response with dimensionless discharge and oxygen saturation concentration as influencing parameters. The dimension less discharge is a function of critical depth of the rectangular channel and step height, whereas oxygen saturation concentration represents the ratio of oxygen deficit and oxygen saturation concentration. Based on the experimental results, the optimum design and/or results such as number of steps (12 numbers and hydraulic loading rate (0.025 m3/s/m2 with fixed tread width of 0.6 m were identified to achieve maximum aeration rate (0.5-0.60 in Aeration system.

  5. Characterisation of the hydraulic properties within the EDZ around drifts at level -490 m of the Meuse/Haute-Marne URL: A methodology for consistent interpretation of hydraulic tests

    Science.gov (United States)

    Baechler, S.; Lavanchy, J. M.; Armand, G.; Cruchaudet, M.

    In order to investigate potential changes of the hydraulic properties of the EDZ over time in the Meuse/Haute-Marne underground research laboratory (URL), several hydraulic tests campaigns have been carried out between 2005 and 2008 in dedicated boreholes. After several test series, inconsistencies were noticed in the results, indicating, in particular cases, erratic, inexplicable property changes over time and spatial contrasts. It was therefore difficult to determine reliably potential trends of the EDZ hydraulic properties. It appeared necessary to re-evaluate both the interpretation concepts and assumptions applied to the numerical analyses of test data on the EDZ, trying to better constrain the flow model and the parameter variables. In order to improve the understanding of the geometrical, geomechanical and hydraulic properties of the EDZ, independent information from other investigation methods has been used to critically revise the conceptual model and formation parameters. In particular, results from a diffusion experiment and ultrasonic measurements allowed constraining the extent of the mechanical damaged zone around the borehole (BDZ). Storativity parameters were fitted due to their expected variability. Indeed, high storativity values can be presumed under the unsaturated conditions of the EDZ. The results of the reanalyses, performed with the numerical borehole simulator MULTISIM, demonstrated the good quality and consistency of the revised conceptual model with constrained BDZ and variable storativity. Overall the new simulation results obtained from selected test series are now very consistent. The revised conceptual model demonstrated its capacity to better represent the evolution and extension of the EDZ around a drift in Meuse/Haute-Marne URL. Further consistency checks are proposed to confirm the new model assumptions and the estimates of the single phase flow model in the EDZ.

  6. Characterisation of the hydraulic properties within the EDZ around drifts at level -490 m of the Meuse/Haute-Marne URL: A methodology for consistent interpretation of hydraulic tests

    International Nuclear Information System (INIS)

    Baechler, S.; Lavanchy, J. M.; Armand, G.; Cruchaudet, M.

    2011-01-01

    In order to investigate potential changes of the hydraulic properties of the EDZ over time in the Meuse/Haute-Marne underground research laboratory (URL), several hydraulic tests campaigns have been carried out between 2005 and 2008 in dedicated boreholes. After several test series, inconsistencies were noticed in the results, indicating, in particular cases, erratic, inexplicable property changes over time and spatial contrasts. It was therefore difficult to determine reliably potential trends of the EDZ hydraulic properties. It appeared necessary to re-evaluate both the interpretation concepts and assumptions applied to the numerical analyses of test data on the EDZ, trying to better constrain the flow model and the parameter variables. In order to improve the understanding of the geometrical, geomechanical and hydraulic properties of the EDZ, independent information from other investigation methods has been used to critically revise the conceptual model and formation parameters. In particular, results from a diffusion experiment and ultrasonic measurements allowed constraining the extent of the mechanical damaged zone around the borehole (BDZ). Storativity parameters were fitted due to their expected variability. Indeed, high storativity values can be presumed under the unsaturated conditions of the EDZ. The results of the reanalyses, performed with the numerical borehole simulator MULTISIM, demonstrated the good quality and consistency of the revised conceptual model with constrained BDZ and variable storativity. Overall the new simulation results obtained from selected test series are now very consistent. The revised conceptual model demonstrated its capacity to better represent the evolution and extension of the EDZ around a drift in Meuse/Haute-Marne URL. Further consistency checks are proposed to confirm the new model assumptions and the estimates of the single phase flow model in the EDZ. (authors)

  7. Valence electronic properties of porphyrin derivatives.

    Science.gov (United States)

    Stenuit, G; Castellarin-Cudia, C; Plekan, O; Feyer, V; Prince, K C; Goldoni, A; Umari, P

    2010-09-28

    We present a combined experimental and theoretical investigation of the valence electronic structure of porphyrin-derived molecules. The valence photoemission spectra of the free-base tetraphenylporphyrin and of the octaethylporphyrin molecule were measured using synchrotron radiation and compared with theoretical spectra calculated using the GW method and the density-functional method within the generalized gradient approximation. Only the GW results could reproduce the experimental data. We found that the contribution to the orbital energies due to electronic correlations has the same linear behavior in both molecules, with larger deviations in the vicinity of the HOMO level. This shows the importance of adequate treatment of electronic correlations in these organic systems.

  8. Summary and evaluation of hydraulic property data available for the Hanford Site upper basalt confined aquifer system

    International Nuclear Information System (INIS)

    Spane, F.A. Jr.; Vermeul, V.R.

    1994-09-01

    Pacific Northwest Laboratory, as part of the Hanford Site Ground-Water Surveillance Project, examines the potential for offsite migration of contamination within the upper basalt confined aquifer system. For the past 40 years, hydrologic testing of the upper basalt confined aquifer has been conducted by a number of Hanford Site programs. Hydraulic property estimates are important for evaluating aquifer flow characteristics (i.e., ground-water flow patterns, flow velocity, transport travel time). Presented are the first comprehensive Hanford Site-wide summary of hydraulic properties for the upper basalt confined aquifer system (i.e., the upper Saddle Mountains Basalt). Available hydrologic test data were reevaluated using recently developed diagnostic test analysis methods. A comparison of calculated transmissivity estimates indicates that, for most test results, a general correspondence within a factor of two between reanalysis and previously reported test values was obtained. For a majority of the tests, previously reported values are greater than reanalysis estimates. This overestimation is attributed to a number of factors, including, in many cases, a misapplication of nonleaky confined aquifer analysis methods in previous analysis reports to tests that exhibit leaky confined aquifer response behavior. Results of the test analyses indicate a similar range for transmissivity values for the various hydro-geologic units making up the upper basalt confined aquifer. Approximately 90% of the calculated transmissivity values for upper basalt confined aquifer hydrogeologic units occur within the range of 10 0 to 10 2 m 2 /d, with 65% of the calculated estimate values occurring between 10 1 to 10 2 m 2 d. These summary findings are consistent with the general range of values previously reported for basalt interflow contact zones and sedimentary interbeds within the Saddle Mountains Basalt

  9. The electronic properties of mixed metal oxides

    International Nuclear Information System (INIS)

    Cussen, E.J.

    1999-01-01

    The properties of Fe and Mn in a variety of perovskite-related crystal structures have been studied by X-ray and neutron diffraction, magnetometry, high resolution electron microscopy and Moessbauer spectroscopy. The structure of Sr 2 FeTaO 6 is of the GdFeO 3 type with a disordered arrangement of Fe and Ta over the octahedrally coordinated sites in contrast to the partial ordering, 0.795(6)Fe/0.205(6)Sb, observed in Sr 2 FeSbO 6 . Sr 2 FeTaO 6 is a spin glass below 23 K whereas Sr 2 FeSbO 6 forms a type I antiferromagnetically ordered phase below T N = 37(2) K with an ordered moment of 3.06(9) μ B Fe -1 at 1.5 K on the Fe-rich site. Susceptibility measurements in the magnetically dilute series Sr 2 Fe 1-x Ga x TaO 6 indicate that magnetic ordering in these Fe 3+ perovskites is partially controlled by next-nearest-neighbour superexchange. A new 15R perovskite structure containing face-sharing dimers of octahedra linked to one another by vertices or bridging octahedra has been - found for the composition SrMn 0.915(5) Fe 0.085(5) O 2.979(3) . The Mn 4+ cations align antiferromagnetically below T N = 220(5) K showing an ordered moment of 2.25(3) μ B at 3 K. The Fe cations remain disordered to 3 K. This composition forms a 6-layered hexagonal perovskite in the temperature range 1200 6 Mn 4 MO 15 (M = Cu, Zn) form pseudo 1-dimensional phases related to Ba 6 Ni 5 O 15 . The trigonal prismatic sites in this structure are preferentially occupied by Zn/Cu; the latter is displaced from the centre of the trigonal prism to give pseudo square-planar coordination. At 1.7 K antiferromagnetic superexchange within a highly frustrated crystal structure leads to a magnetic structure exhibiting rotation of 120 deg. between spins in neighbouring chains. The magnetic moments refined to 0.7(1) and 0.6(1) μ B per octahedral site in the Cu and Zn compounds respectively. The magnetic susceptibilities have been rationalised in terms of 1-dimensional ordering of the octahedrally

  10. Correlation of CVD Diamond Electron Emission with Film Properties

    Science.gov (United States)

    Bozeman, S. P.; Baumann, P. K.; Ward, B. L.; Nemanich, R. J.; Dreifus, D. L.

    1996-03-01

    Electron field emission from metals is affected by surface morphology and the properties of any dielectric coating. Recent results have demonstrated low field electron emission from p-type diamond, and photoemission measurements have identified surface treatments that result in a negative electron affinity (NEA). In this study, the field emission from diamond is correlated with surface treatment, surface roughness, and film properties (doping and defects). Electron emission measurements are reported on diamond films synthesized by plasma CVD. Ultraviolet photoemission spectroscopy indicates that the CVD films exhibit a NEA after exposure to hydrogen plasma. Field emission current-voltage measurements indicate "threshold voltages" ranging from approximately 20 to 100 V/micron.

  11. Effect of electron beam on the properties of electron-acoustic rogue waves

    Science.gov (United States)

    El-Shewy, E. K.; Elwakil, S. A.; El-Hanbaly, A. M.; Kassem, A. I.

    2015-04-01

    The properties of nonlinear electron-acoustic rogue waves have been investigated in an unmagnetized collisionless four-component plasma system consisting of a cold electron fluid, Maxwellian hot electrons, an electron beam and stationary ions. It is found that the basic set of fluid equations is reduced to a nonlinear Schrodinger equation. The dependence of rogue wave profiles and the associated electric field on the carrier wave number, normalized density of hot electron and electron beam, relative cold electron temperature and relative beam temperature are discussed. The results of the present investigation may be applicable in auroral zone plasma.

  12. On the role of model depth and hydraulic properties for groundwater flow modelling during glacial climate conditions

    International Nuclear Information System (INIS)

    Vidstrand, Patrik; Rhen, Ingvar

    2011-03-01

    A common assumption in regional groundwater flow simulations of periods with glacial climate conditions is that the salinity at the bottom boundary of the model domain is stable (constant over time). This assumption is partly based on the general fact that water density increases with increasing salinity, but also supported by measurements, e.g. the mobile (fracture water) and immobile (porewater) salinity typically increase with depth, whereas the conductive fracture frequency and fracture transmissivity often decrease with depth. Plausibly, the depth to stable hydrogeological conditions varies between sites, and the question studied here is whether hydrogeological disturbances could occur at 2-4 km depth during glacial climate conditions. With regard to the results of SDM-Site and SR-Site, the hydrogeological conditions at repository depth indicate less groundwater flow during glacial climate conditions at Forsmark than at Laxemar. For this reason, this study uses the Laxemar site as a hypothetical site of potentially more permeable conditions, hence more readily affected during glacial climate conditions. A series of flow simulations conducted with DarcyTools in an approximately 5 km deep, super-regional model domain centred on the Laxemar site are reported. The studied cases (model variants) represent a variety of different property specifications along with variations in initial conditions concerning salinity. The model domain is subjected to a transient top boundary representing an advancing ice sheet margin. The behaviour of the grid cell pressure, Darcy flux and mobile salinity is monitored at four different elevations along a vertical scan line through the centre of the suggested location for a KBS-3 repository at Laxemar. The studied monitoring points are located at -0.5 km, -2.5 km, -3.0 km, and -3.5 km. These elevations are chosen with the objective to study the range of hydrogeological disturbance that could occur at 2-4 km depth. The flow model is run

  13. On the role of model depth and hydraulic properties for groundwater flow modelling during glacial climate conditions

    Energy Technology Data Exchange (ETDEWEB)

    Vidstrand, Patrik (TerraSolve AB (Sweden)); Rhen, Ingvar (SWECO Environment AB (Sweden))

    2011-03-15

    A common assumption in regional groundwater flow simulations of periods with glacial climate conditions is that the salinity at the bottom boundary of the model domain is stable (constant over time). This assumption is partly based on the general fact that water density increases with increasing salinity, but also supported by measurements, e.g. the mobile (fracture water) and immobile (porewater) salinity typically increase with depth, whereas the conductive fracture frequency and fracture transmissivity often decrease with depth. Plausibly, the depth to stable hydrogeological conditions varies between sites, and the question studied here is whether hydrogeological disturbances could occur at 2-4 km depth during glacial climate conditions. With regard to the results of SDM-Site and SR-Site, the hydrogeological conditions at repository depth indicate less groundwater flow during glacial climate conditions at Forsmark than at Laxemar. For this reason, this study uses the Laxemar site as a hypothetical site of potentially more permeable conditions, hence more readily affected during glacial climate conditions. A series of flow simulations conducted with DarcyTools in an approximately 5 km deep, super-regional model domain centred on the Laxemar site are reported. The studied cases (model variants) represent a variety of different property specifications along with variations in initial conditions concerning salinity. The model domain is subjected to a transient top boundary representing an advancing ice sheet margin. The behaviour of the grid cell pressure, Darcy flux and mobile salinity is monitored at four different elevations along a vertical scan line through the centre of the suggested location for a KBS-3 repository at Laxemar. The studied monitoring points are located at -0.5 km, -2.5 km, -3.0 km, and -3.5 km. These elevations are chosen with the objective to study the range of hydrogeological disturbance that could occur at 2-4 km depth. The flow model is run

  14. Solution strengthened ferritic ductile iron ISO 1083/JS/500-10 provides superior consistent properties in hydraulic rotators

    Directory of Open Access Journals (Sweden)

    Dr. Richard Larker

    2009-11-01

    Full Text Available Consistent mechanical and machining properties are essential in many applications where ductile irons offer the most cost-effective way to produce structural parts. In the production of hydraulic rotators, dimensional tolerances are typically 20 μm to obtain designated performance. For castings where intermediate strength and ductility is required, it is common knowledge that conventional ferritic-pearlitic ductile irons such as ISO 1083/500-7 show large hardness variations. These are mainly caused by the notoriously varying pearlite content, both at different locations within a part and between parts in the same or different batches. Cooling rate variations due to different wall thickness and position in the molding box, as well as varying amounts of pearlite-stabilizing elements, all contribute to detrimental hardness variations. The obvious remedy is to avoid pearlite formation, and instead obtain the necessary mechanical properties by solution strengthening of the ferritic matrix by increasing silicon content to 3.7wt% –3.8wt%. The Swedish development in this fi eld 1998 resulted in a national standardization as SS 140725, followed in 2004 by ISO 1083/JS/500-10. Indexator AB decided 2005 to specify JS/500-10 for all new ductile iron parts and to convert all existing parts. Improvements include reduction by 75% in hardness variations and increase by 30% in cutting tool life, combined with consistently better mechanical properties.

  15. Spectrum properties of electrons in solids

    International Nuclear Information System (INIS)

    Avron, J.

    1975-11-01

    The electron spectra in the one-particle Bloch model is discussed. The presence of hamiltonian bands is proved, especially for the Dirac and Schrodinger hamiltonians. The analyticity of the quasimomentum k is described as well as the stability of the bands in singular disturbances. (B.G.)

  16. Thermal Properties for the Thermal-Hydraulics Analyses of the BR2 Maximum Nominal Heat Flux

    Energy Technology Data Exchange (ETDEWEB)

    Dionne, B. [Argonne National Lab. (ANL), Argonne, IL (United States). Nuclear Engineering Division; Bergeron, A. [Argonne National Lab. (ANL), Argonne, IL (United States). Nuclear Engineering Division; Licht, J. R. [Argonne National Lab. (ANL), Argonne, IL (United States). Nuclear Engineering Division; Kim, Y. S. [Argonne National Lab. (ANL), Argonne, IL (United States). Nuclear Engineering Division; Hofman, G. L. [Argonne National Lab. (ANL), Argonne, IL (United States). Nuclear Engineering Division

    2015-02-01

    This memo describes the assumptions and references used in determining the thermal properties for the various materials used in the BR2 HEU (93% enriched in 235U) to LEU (19.75% enriched in 235U) conversion feasibility analysis. More specifically, this memo focuses on the materials contained within the pressure vessel (PV), i.e., the materials that are most relevant to the study of impact of the change of fuel from HEU to LEU. Section 2 provides a summary of the thermal properties in the form of tables while the following sections and appendices present the justification of these values. Section 3 presents a brief background on the approach used to evaluate the thermal properties of the dispersion fuel meat and specific heat capacity. Sections 4 to 7 discuss the material properties for the following materials: i) aluminum, ii) dispersion fuel meat (UAlx-Al and U-7Mo-Al), iii) beryllium, and iv) stainless steel. Section 8 discusses the impact of irradiation on material properties. Section 9 summarizes the material properties for typical operating temperatures. Appendix A elaborates on how to calculate dispersed phase’s volume fraction. Appendix B provides a revised methodology for determining the thermal conductivity as a function of burnup for HEU and LEU.

  17. Size-dependent electronic properties of metal nanostructures

    Indian Academy of Sciences (India)

    First page Back Continue Last page Overview Graphics. Size-dependent electronic properties of metal nanostructures. G.U. Kulkarni. Chemistry and Physics of Materials Unit. Jawaharlal Nehru Centre for Advanced Scientific Research. Bangalore, India. kulkarni@jncasr.ac.in.

  18. Manganites in Perovskite Superlattices: Structural and Electronic Properties

    KAUST Repository

    Jiwuer, Jilili

    2016-01-01

    Perovskite manganites are widely investigated compounds due to the discovery of the colossal magnetoresistance effect in 1994. They have a broad range of structural, electronic, magnetic properties and potential device applications in sensors

  19. Density functional study of : Electronic and optical properties

    Indian Academy of Sciences (India)

    K C Bhamu

    3Department of Physics, Swami Keshvanand Insitute of Technology, Management and Gramothan, ... Published online 20 June 2017. Abstract. This paper focusses on the electronic and optical properties of scandium-based silver delafossite.

  20. Structure, Electronic and Nonlinear Optical Properties of Furyloxazoles and Thienyloxazoles

    International Nuclear Information System (INIS)

    Dagli, Ozlem; Gok, Rabia; Bahat, Mehmet; Ozbay, Akif

    2016-01-01

    Geometry optimization, electronic and nonlinear optical properties of isomers of furyloxazole and thienyloxazole molecules are carried out at the B3LYP/6-311++G(2d,p) level. The conformational analysis of 12 compounds have been studied as a function of torsional angle between rings. Electronic and NLO properties such as dipole moment, energy gap, polarizability and first hyperpolarizability were also calculated. (paper)

  1. The electronic properties of semiconductor quantum dots

    International Nuclear Information System (INIS)

    Barker, J.A.

    2000-10-01

    This work is an investigation into the electronic behaviour of semiconductor quantum dots, particularly self-assembled quantum dot arrays. Processor-efficient models are developed to describe the electronic structure of dots, deriving analytic formulae for the strain tensor, piezoelectric distribution and diffusion- induced evolution of the confinement potential, for dots of arbitrary initial shape and composition profile. These models are then applied to experimental data. Transitions due to individual quantum dots have a narrow linewidth as a result of their discrete density of states. By contrast, quantum dot arrays exhibit inhomogeneous broadening which is generally attributed to size variations between the individual dots in the ensemble. Interpreting the results of double resonance spectroscopy, it is seen that variation in the indium composition of the nominally InAs dots is also present. This result also explains the otherwise confusing relationship between the spread in the ground-state and excited-state transition energies. Careful analysis shows that, in addition to the variations in size and composition, some other as yet unidentified broadening mechanism must also be present. The influence of rapid thermal annealing on dot electronic structure is also considered, finding that the experimentally observed blue-shift and narrowing of the photoluminescence linewidth may both be explained in terms of normal In/Ga interdiffusion. InAs/GaAs self-assembled quantum dots are commonly assumed to have a pyramidal geometry, so that we would expect the energy separation of the ground-state electron and hole levels in the dot to be largest at a positive applied field. This should also be the case for any dot of uniform composition whose shape tapers inwards from base to top, counter to the results of experimental Stark-shift spectroscopy which show a peak transition energy at a negative applied field. It is demonstrated that this inversion of the ground state

  2. influence of the substitution on the electronic properties of perylene ...

    African Journals Online (AJOL)

    Preferred Customer

    The higher performance found in single crystal OFETs compared to thin-film. OFETs is related to the high ... Influence of substitution on electronic properties of perylene-3,4:9,10-bis(dicarboximides). Bull. Chem. Soc. .... be good n-type materials for OFETs due to the efficient electron injection from common gold electrode, ca.

  3. ELECTRONIC PUBLISHING AND THE EVOLVING INTERNATIONAL INTELLECTUAL PROPERTY REGIME

    OpenAIRE

    D. Langenberg

    2000-01-01

    As we leave the Industrial Age behind us and move into the Information Age, the transition from “bricks and mortar” commerce to electronic commerce and from paper to electronic publishing pose major challenges for international intellectual property regimes. Electronic commerce has taken off. Whatever concerns about consumer acceptance there were five years ago have given way to “click and mortar” business models where e-commerce has an established role complementing traditional commerce. The...

  4. Handbook on Lead-bismuth Eutectic Alloy and Lead Properties, Materials Compatibility, Thermal-hydraulics and Technologies - 2015 Edition

    International Nuclear Information System (INIS)

    Fazio, Concetta; Sobolev, V.P.; Aerts, A.; Gavrilov, S.; Lambrinou, K.; Schuurmans, P.; Gessi, A.; Agostini, P.; Ciampichetti, A.; Martinelli, L.; Gosse, S.; Balbaud-Celerier, F.; Courouau, J.L.; Terlain, A.; Li, N.; Glasbrenner, H.; Neuhausen, J.; Heinitz, S.; Zanini, L.; Dai, Y.; Jolkkonen, M.; Kurata, Y.; Obara, T.; Thiolliere, N.; Martin-Munoz, F.J.; Heinzel, A.; Weisenburger, A.; Mueller, G.; Schumacher, G.; Jianu, A.; Pacio, J.; Marocco, L.; Stieglitz, R.; Wetzel, T.; Daubner, M.; Litfin, K.; Vogt, J.B.; Proriol-Serre, I.; Gorse, D.; Eckert, S.; Stefani, F.; Buchenau, D.; Wondrak, T.; Hwang, I.S.

    2015-01-01

    Heavy liquid metals such as lead or lead-bismuth have been proposed and investigated as coolants for fast reactors since the 1950's. More recently, there has been renewed interest worldwide in the use of these materials to support the development of systems for the transmutation of radioactive waste. Heavy liquid metals are also under evaluation as a reactor core coolant and accelerator-driven system neutron spallation source. Several national and international R and D programmes are ongoing for the development of liquid lead-alloy technology and the design of liquid lead-alloy-cooled reactor systems. In 2007, a first edition of the handbook was published to provide deeper insight into the properties and experimental results in relation to lead and lead-bismuth eutectic technology and to establish a common database. This handbook remains a reference in the field and is a valuable tool for designers and researchers with an interest in heavy liquid metals. The 2015 edition includes updated data resulting from various national and international R and D programmes and contains new experimental data to help understand some important phenomena such as liquid metal embrittlement and turbulent heat transfer in a fuel bundle. The handbook provides an overview of liquid lead and lead-bismuth eutectic properties, materials compatibility and testing issues, key aspects of thermal-hydraulics and existing facilities, as well as perspectives for future R and D. (authors)

  5. Electron spin resonance dosimetric properties of bone

    International Nuclear Information System (INIS)

    Caracelli, I.; Terrile, M.C.; Mascarenhas, S.

    1986-01-01

    The characteristics of electron spin resonance (ESR) dosimetry using bovine bone samples are described. The number of paramagnetic centers created by gamma radiation in the inorganic bone matrix was measured as a function of absorbed dose. The minimum detectable dose was 0.5 Gy for 60Co gamma rays. The response was linear up to the maximum dose studied (30 Gy) and independent of dose rate up to the maximum dose rate used (1.67 Gy min-1). For different bone samples the reproducibility was 5%. This method may be valuable for nuclear accident dosimetry

  6. Electronic and magnetic properties of ultrathin rhodium nanowires

    CERN Document Server

    Wang Bao Lin; Ren-Yun; Sun Hou Qian; Chen Xiao Shuang; Zhao Ji Jun

    2003-01-01

    The structures of ultrathin rhodium nanowires are studied using empirical molecular dynamics simulations with a genetic algorithm. Helical multishell cylindrical and pentagonal packing structures are found. The electronic and magnetic properties of the rhodium nanowires are calculated using an spd tight-binding Hamiltonian in the unrestricted Hartree-Fock approximation. The average magnetic moment and electronic density of states are obtained. Our results indicate that the electronic and magnetic properties of the rhodium nanowires depend not only on the size of the wire but also on the atomic structure. In particular, centred pentagonal and hexagonal structures can be unusually ferromagnetic.

  7. Electronic and ground state properties of ThTe

    Energy Technology Data Exchange (ETDEWEB)

    Bhardwaj, Purvee, E-mail: purveebhardwaj@gmail.com; Singh, Sadhna, E-mail: drsadhna100@gmail.com [High Pressure Research Lab. Department of Physics Barkatullah University, Bhopal (MP) 462026 (India)

    2016-05-06

    The electronic properties of ThTe in cesium chloride (CsCl, B2) structure are investigated in the present paper. To study the ground state properties of thorium chalcogenide, the first principle calculations have been calculated. The bulk properties, including lattice constant, bulk modulus and its pressure derivative are obtained. The calculated equilibrium structural parameters are in good agreement with the available experimental and theoretical results.

  8. Variable electronic properties of lateral phosphorene-graphene heterostructures.

    Science.gov (United States)

    Tian, Xiaoqing; Liu, Lin; Du, Yu; Gu, Juan; Xu, Jian-Bin; Yakobson, Boris I

    2015-12-21

    Phosphorene and graphene have a tiny lattice mismatch along the armchair direction, which can result in an atomically sharp in-plane interface. The electronic properties of the lateral heterostructures of phosphorene/graphene are investigated by the first-principles method. Here, we demonstrate that the electronic properties of this type of heterostructure can be highly tunable by the quantum size effects and the externally applied electric field (Eext). At strong Eext, Dirac Fermions can be developed with Fermi velocities around one order smaller than that of graphene. Undoped and hydrogen doped configurations demonstrate three drastically different electronic phases, which reveal the strongly tunable potential of this type of heterostructure. Graphene is a naturally better electrode for phosphorene. The transport properties of two-probe devices of graphene/phosphorene/graphene exhibit tunnelling transport characteristics. Given these results, it is expected that in-plane heterostructures of phosphorene/graphene will present abundant opportunities for applications in optoelectronic and electronic devices.

  9. Electronic structure and properties of superheavy elements

    International Nuclear Information System (INIS)

    Pershina, V.

    2015-01-01

    Spectacular developments in the relativistic quantum theory and computational algorithms in the last few decades allowed for accurate calculations of properties of the superheavy elements (SHE) and their compounds. Often conducted in a close link to the experimental research, these investigations helped predict and interpret an outcome of sophisticated and expensive experiments with single atoms. Most of the works, particularly those related to the experimental studies, are overviewed in this publication. The role of relativistic effects being of paramount importance for the heaviest elements is elucidated.

  10. Effects of Conventional and Conservation Tillage on Soil Hydraulic Properties of a Silty-loamy Soil

    DEFF Research Database (Denmark)

    Wahl, Niels Arne; Bens, O.; Buczko, U.

    2004-01-01

    Infiltration into soils is strongly correlated with macroporosity. Under agricultural land use, the properties of the macropore network are governed by the applied management and tillage system. On an experimental site with a silt loam soil partly under conventional and conservation tillage, the ......, conservation tillage could possibly offer a means to reduce surface runoff and flood generation in agricultural landscapes dominated by silty-loamy soils. d 2...

  11. Atomic structures and electronic properties of phosphorene grain boundaries

    International Nuclear Information System (INIS)

    Guo, Yu; Zhou, Si; Bai, Yizhen; Zhao, Jijun; Zhang, Junfeng

    2016-01-01

    Grain boundary (GB) is one main type of defects in two-dimensional (2D) crystals, and has significant impact on the physical properties of 2D materials. Phosphorene, a recently synthesized 2D semiconductor, possesses a puckered honeycomb lattice and outstanding electronic properties. It is very interesting to know the possible GBs present in this novel material, and how their properties differ from those in the other 2D materials. Based on first-principles calculations, we explore the atomic structure, thermodynamic stability, and electronic properties of phosphorene GBs. A total of 19 GBs are predicted and found to be energetically stable with formation energies much lower than those in graphene. These GBs do not severely affect the electronic properties of phosphorene: the band gap of perfect phosphorene is preserved, and the electron mobilities are only moderately reduced in these defective systems. Our theoretical results provide vital guidance for experimental tailoring the electronic properties of phosphorene as well as the device applications using phosphorene materials. (paper)

  12. Inferring Fault Frictional and Reservoir Hydraulic Properties From Injection-Induced Seismicity

    Science.gov (United States)

    Jagalur-Mohan, Jayanth; Jha, Birendra; Wang, Zheng; Juanes, Ruben; Marzouk, Youssef

    2018-02-01

    Characterizing the rheological properties of faults and the evolution of fault friction during seismic slip are fundamental problems in geology and seismology. Recent increases in the frequency of induced earthquakes have intensified the need for robust methods to estimate fault properties. Here we present a novel approach for estimation of aquifer and fault properties, which combines coupled multiphysics simulation of injection-induced seismicity with adaptive surrogate-based Bayesian inversion. In a synthetic 2-D model, we use aquifer pressure, ground displacements, and fault slip measurements during fluid injection to estimate the dynamic fault friction, the critical slip distance, and the aquifer permeability. Our forward model allows us to observe nonmonotonic evolutions of shear traction and slip on the fault resulting from the interplay of several physical mechanisms, including injection-induced aquifer expansion, stress transfer along the fault, and slip-induced stress relaxation. This interplay provides the basis for a successful joint inversion of induced seismicity, yielding well-informed Bayesian posterior distributions of dynamic friction and critical slip. We uncover an inverse relationship between dynamic friction and critical slip distance, which is in agreement with the small dynamic friction and large critical slip reported during seismicity on mature faults.

  13. Investigation of electronic transport properties of some liquid transition metals

    Science.gov (United States)

    Patel, H. P.; Sonvane, Y. A.; Thakor, P. B.

    2018-04-01

    We investigated electronic transport properties of some liquid transition metals (V, Cr, Mn, Fe, Co and Pt) using Ziman formalism. Our parameter free model potential which is realized on ionic and atomic radius has been incorporated with the Hard Sphere Yukawa (HSY) reference system to study the electronic transport properties like electrical resistivity (ρ), thermal conductivity (σ) and thermo electrical power (Q). The screening effect on aforesaid properties has been studied by using different screening functions. The correlations of our results and others data with in addition experimental values are profoundly promising to the researchers working in this field. Also, we conclude that our newly constructed parameter free model potential is capable to explain the aforesaid electronic transport properties.

  14. Electrical properties of gallium arsenide irradiated with electrons and neutrons

    International Nuclear Information System (INIS)

    Kol'chenko, T.I.; Lomako, V.M.

    1975-01-01

    A study was made of changes in the electrical properties of GaAs doped with Te, S, Se, Si, Ge, Sn (n 0 approximately 10 16 -10 18 cm -3 ) and irradiated either with 2.5-28 MeV electrons or with fast reactor neutrons. An analysis of changes in the electron density indicated that the rate of carrier removal by electron bombardment was independent of the dopant but was governed by isolated radiation defects. The change in the mobility due to irradiation with 2.5-10 MeV electrons was also governed by isolated defects. When the electron energy was increased to 28 MeV the main contribution to the change in the mobility was made by defect clusters. In the neutron-irradiation case the changes in the carrier density and mobility were mainly due to defect clusters and the nature of changes in the electrical properties was again independent of the dopant

  15. Electronic structure and optical properties of solid C60

    International Nuclear Information System (INIS)

    Mattesini, M.; Ahuja, R.; Sa, L.; Hugosson, H.W.; Johansson, B.; Eriksson, O.

    2009-01-01

    The electronic structure and the optical properties of face-centered-cubic C 60 have been investigated by using an all-electron full-potential method. Our ab initio results show that the imaginary dielectric function for high-energy values looks very similar to that of graphite, revealing close electronic structure similarities between the two systems. We have also identified the origin of different peaks in the dielectric function of fullerene by means of the calculated electronic density of states. The computed optical spectrum compares fairly well with the available experimental data for the Vis-UV absorption spectrum of solid C 60 .

  16. Hydraulic properties of domestic bentonite-sand mixture as a backfill material in the high-level waste repository

    Energy Technology Data Exchange (ETDEWEB)

    Cho, Won Jin; Lee, Jae Owan; Kang, Chul Hyung [Korea Atomic Energy Research Institute, Taejeon (Korea)

    2000-02-01

    This study is intended to investigate the effect of dry density and sand content on hydraulic conductivities of bentonite-sand mixtures. The hydraulic conductivities of bentonite-sand mixtures with dry densities of 1.6 and 1.8 Mg/m{sup 3} are lower than 10{sup -11} m/s if their sand contents are less than 70 wt%. However at the sand content of 90 wt%, the hydraulic conductivities increase sharply. In the case of sand contents not exceeding 70 wt%, the logarithm of the hydraulic conductivity of bentonite-sand mixture increase linearly with increasing sand content. The hydraulic conductivity of the mixture can be explained using 'effective clay dry density' concept. 16 refs., 21 figs., 5 tabs. (Author)

  17. Using scaling factors for evaluating spatial and temporal variability of soil hydraulic properties within one elevation transect

    Science.gov (United States)

    Nikodem, Antonín; Kodešová, Radka; Jakšík, Ondřej; Fér, Miroslav; Klement, Aleš

    2016-04-01

    This study was carried out in Southern Moravia, in the Czech Republic. The original soil unit in the wider area is a Haplic Chernozem developed on loess. The intensive agricultural exploitation in combination with terrain morphology has resulted in a highly diversified soil spatial pattern. Nowadays the original soil unit is preserved only on top of relatively flat parts, and is gradually transformed by water erosion up to Regosols on the steepest slopes, while colluvial soils are formed in terrain depressions and at toe slopes due to sedimentation of previously eroded material. Soils within this area has been intensively investigated during the last several years (e.g. Jakšík et al., 2015; Vašát et al., 2014, 2015a,b). Soil sampling (disturbed and undisturbed 100-cm3 soil samples) was performed at 5 points of one elevation transect in November 2010 (after wheat sowing) and August 2011 (after wheat harvest). Disturbed soil samples were used to determine basic soil properties (grain size distribution and organic carbon content etc.). Undisturbed soil samples were used to determine the soil water retention curves and the hydraulic conductivity functions using the multiple outflow tests in Tempe cells and a numerical inversion with HYDRUS 1-D. Scaling factors (alpha-h for pressure head, alpha-theta for soil water contents and alpha-k for hydraulic conductivities) were used here to express soil hydraulic properties variability. Evaluated scaling factors reflected position within the elevation transect as well as time of soil sampling. In general large values of alpha-h, lower values of alpha-k and similar values of alpha-theta were obtained in 2010 in comparison to values obtained in 2011, which indicates development of soil structure during the vegetation season. Jakšík, O., Kodešová, R., Kubiš, A., Stehlíková, I., Drábek, O., Kapička, A. (2015): Soil aggregate stability within morphologically diverse areas. Catena, 127, 287-299. Vašát, R., Kode

  18. Hydraulic structures

    CERN Document Server

    Chen, Sheng-Hong

    2015-01-01

    This book discusses in detail the planning, design, construction and management of hydraulic structures, covering dams, spillways, tunnels, cut slopes, sluices, water intake and measuring works, ship locks and lifts, as well as fish ways. Particular attention is paid to considerations concerning the environment, hydrology, geology and materials etc. in the planning and design of hydraulic projects. It also considers the type selection, profile configuration, stress/stability calibration and engineering countermeasures, flood releasing arrangements and scouring protection, operation and maintenance etc. for a variety of specific hydraulic structures. The book is primarily intended for engineers, undergraduate and graduate students in the field of civil and hydraulic engineering who are faced with the challenges of extending our understanding of hydraulic structures ranging from traditional to groundbreaking, as well as designing, constructing and managing safe, durable hydraulic structures that are economical ...

  19. Laboratory analysis of soil hydraulic properties of TA-49 soil samples. Volume I: Report summary

    International Nuclear Information System (INIS)

    1995-04-01

    The Hydrologic Testing Laboratory at Daniel B. Stephens ampersand Associates, Inc. (DBS ampersand A) has completed laboratory tests on TA-49 soil samples as specified by Mr. Daniel A. James and summarized in Table 1. Tables 2 through 12 give the results of the specified analyses. Raw laboratory data and graphical plots of data (where appropriate) are contained in Appendices A through K. Appendix L lists the methods used in these analyses. A detailed description of each method is available upon request. Thermal properties were calculated using methods reviewed by Campbell and covered in more detail in Appendix K. Typically, soil thermal conductivities are determined using empirical fitting parameters (five in this case), Some assumptions are also made in the equations used to reduce the raw data. In addition to the requested thermal property measurements, calculated values are also presented as the best available internal check on data quality. For both thermal conductivities and specific heats, calculated and measured values are consistent and the functions often cross. Interestingly, measured thermal conductivities tend to be higher than calculated thermal conductivities around typically encountered in situ moisture contents (±5 percent). While we do not venture an explanation of the difference, sensitivity testing of any problem requiring nonisothermal modeling across this range is in order

  20. Rock quality designation of the hydraulic properties in the near field of a final repository for spent nuclear fuel

    International Nuclear Information System (INIS)

    Carlsson, Hans; Carlsson, Leif; Pusch, Roland

    1989-06-01

    Quality assurance of a final repository for spent nuclear fuel requires detailed information on the characteristics of the rock, backfill, canisters and the waste itself. Furthermore, and of fundamental importance, is the knowledge of the behaviour of the integrated system of the waste and the different barriers. The in-situ characteristics of the rock must therefore be assessed and their influence on and interactions with the remaining barriers must be predicted and verified. A rock quality designation process of the hydraulic properties in the near-field is out-lined both for the KBS-3 system as well as for the WP-cave system. The process, once updated and approved, will be included in a Quality Assurance Program for the final repository for spent nuclear fuel. Some of the available methods for the near-field designation process are presented as well as techniques that need further development or are not developed at all. Finally, a presentation is given of a generic designation process of the KBS-3 and WP-cave repository systems in the previously investigated area in Central Sweden, where the final repository for reactor waste, SFR, is located. Geological and hydrogeological data are here at hand and it is therefore possible to carry out a simulation of how the designation process would be accomplished. (authors) (72 figs., 12 tabs., 43 refs.)

  1. Electronic transport properties of nanostructured MnSi-films

    Science.gov (United States)

    Schroeter, D.; Steinki, N.; Scarioni, A. Fernández; Schumacher, H. W.; Süllow, S.; Menzel, D.

    2018-05-01

    MnSi, which crystallizes in the cubic B20 structure, shows intriguing magnetic properties involving the existence of skyrmions in the magnetic phase diagram. Bulk MnSi has been intensively investigated and thoroughly characterized, in contrast to MnSi thin film, which exhibits widely varying properties in particular with respect to electronic transport. In this situation, we have set out to reinvestigate the transport properties in MnSi thin films by means of studying nanostructure samples. In particular, Hall geometry nanostructures were produced to determine the intrinsic transport properties.

  2. Development of a New Apparatus for Investigating Acoustic Effects on Hydraulic Properties of Low-Permeability Geo-Materials

    Science.gov (United States)

    Nakajima, H.; Sawada, A.; Sugita, H.; Takeda, M.; Komai, T.; Zhang, M.

    2006-12-01

    feasibility of the EASD method and to obtain the fundamental but important knowledge for the design of this method, it is first necessary to understand the effects of acoustic wave application on pore water flow behavior. A new apparatus is developed to investigate the effects of acoustic wave on hydraulic properties of soil sample. This test apparatus enables to confine a cylindrical specimen under hydrostatic pressure conditions and to apply acoustic wave simultaneously. Preliminary results associated with the effects of acoustic wave frequency on changes of permeability of kaolin clay samples are illustrated in this report. A program investigating the effects of electricity and pore water chemistry on efficiency of decontamination using the same samples is also ongoing and briefly presented. The two strategies for enhancing the efficiency of remediation for low permeable soils will be combined in the near future

  3. Surface properties and microporosity of polyhydroxybutyrate under scanning electron microscopy

    International Nuclear Information System (INIS)

    Raouf, A.A.; Samsudin, A.R.; Samian, R.; Akool, K.; Abdullah, N.

    2004-01-01

    This study was designed to investigate the surface properties especially surface porosity of polyhydroxybutyrate (PHB) using scanning electron microscopy. PHB granules were sprinkled on the double-sided sticky tape attached on a SEM aluminium stub and sputtered with gold (10nm thickness) in a Polaron SC515 Coater, following which the samples were placed into the SEM specimen chamber for viewing and recording. Scanning electron micrographs with different magnification of PHB surface revealed multiple pores with different sizes. (Author)

  4. Optical properties and electron transport in low-dimensional nanostructures

    Czech Academy of Sciences Publication Activity Database

    Král, Karel; Menšík, Miroslav

    2011-01-01

    Roč. 54, 2-2 (2011), s. 4-13 ISSN 0021-3411 R&D Projects: GA MŠk(CZ) OC10007 Institutional research plan: CEZ:AV0Z10100520; CEZ:AV0Z40500505 Keywords : quantum dots * electron -photon interaction * optical properties * electron relaxation * DNA molecule Subject RIV: BE - The oretical Physics http://elibrary.ru/contents.asp?issueid=1010336

  5. Evaluating lysimeter drainage against soil deep percolation modeled with profile soil moisture, field tracer propagation, and lab measured soil hydraulic properties

    DEFF Research Database (Denmark)

    Vasquez, Vicente; Thomsen, Anton Gårde; Iversen, Bo Vangsø

    them have been reported. To compare among methods, one year of four large-scale lysimeters drainage (D) was evaluated against modeled soil deep percolation using either profile soil moisture, bromide breakthrough curves from suction cups, or measured soil hydraulic properties in the laboratory....... Measured volumetric soil water content (q) was 3-4% higher inside lysimeters than in the field probably due to a zero tension lower boundary condition inside lysimeters. D from soil hydraulic properties measured in the laboratory resulted in a 15% higher evapotranspiration and 12% lower drainage...... predictions than the model calibrated with field measured q. Bromide (Br) breakthrough curves indicated high variability between lysimeters and field suction cups with mean Br velocities at first arrival time of 110 and 33 mm/d, respectively. D was 520 mm/yr with lysimeters, 613 mm/yr with the calibrated...

  6. Examining the information content of time-lapse crosshole GPR data collected under different infiltration conditions to estimate unsaturated soil hydraulic properties

    DEFF Research Database (Denmark)

    Scholer, M.; Irving, J.; Zibar, Majken Caroline Looms

    2013-01-01

    Time-lapse geophysical data acquired during transient hydrological experiments are being increasingly employed to estimate subsurface hydraulic properties at the field scale. In particular, crosshole ground-penetrating radar (GPR) data, collected while water infiltrates into the subsurface either...... by natural or artificial means, have been demonstrated in a number of studies to contain valuable information concerning the hydraulic properties of the unsaturated zone. Previous work in this domain has considered a variety of infiltration conditions and different amounts of time-lapse GPR data...... of time-lapse zero-offset-profile (ZOP) GPR traveltime data, collected under three different infiltration conditions, for the estimation of van Genuchten–Mualem (VGM) parameters in a layered subsurface medium. Specifically, we systematically analyze synthetic and field GPR data acquired under natural...

  7. Electronic properties of graphene-based bilayer systems

    Energy Technology Data Exchange (ETDEWEB)

    Rozhkov, A.V., E-mail: arozhkov@gmail.com [CEMS, RIKEN, Saitama 351-0198 (Japan); Institute for Theoretical and Applied Electrodynamics, Russian Academy of Sciences, 125412 Moscow (Russian Federation); Moscow Institute of Physics and Technology, Dolgoprudny, Moscow Region, 141700 (Russian Federation); Sboychakov, A.O. [CEMS, RIKEN, Saitama 351-0198 (Japan); Institute for Theoretical and Applied Electrodynamics, Russian Academy of Sciences, 125412 Moscow (Russian Federation); Rakhmanov, A.L. [CEMS, RIKEN, Saitama 351-0198 (Japan); Institute for Theoretical and Applied Electrodynamics, Russian Academy of Sciences, 125412 Moscow (Russian Federation); Moscow Institute of Physics and Technology, Dolgoprudny, Moscow Region, 141700 (Russian Federation); All-Russia Research Institute of Automatics, Moscow, 127055 (Russian Federation); Nori, Franco, E-mail: fnori@riken.jp [CEMS, RIKEN, Saitama 351-0198 (Japan); Physics Department, The University of Michigan, Ann Arbor, MI 48109-1040 (United States)

    2016-08-23

    This article reviews the theoretical and experimental work related to the electronic properties of bilayer graphene systems. Three types of bilayer stackings are discussed: the AA, AB, and twisted bilayer graphene. This review covers single-electron properties, effects of static electric and magnetic fields, bilayer-based mesoscopic systems, spin–orbit coupling, dc transport and optical response, as well as spontaneous symmetry violation and other interaction effects. The selection of the material aims to introduce the reader to the most commonly studied topics of theoretical and experimental research in bilayer graphene.

  8. Fundamentals of the Physics of Solids Volume 2: Electronic Properties

    CERN Document Server

    Sólyom, Jenő

    2009-01-01

    This book is the second of a single-authored, three-volume series that aims to deliver a comprehensive and self-contained account of the vast field of solid-state physics. It goes far beyond most classic texts in the presentation of the properties of solids and experimentally observed phenomena, along with the basic concepts and theoretical methods used to understand them and the essential features of various experimental techniques. The first volume deals with the atomic and magnetic structure and dynamics of solids, the second with those electronic properties that can be understood in the one-particle approximation, and the third with the effects due to interactions and correlations between electrons. This volume is devoted to the electronic properties of metals and semiconductors in the independent-electron approximation. After a brief discussion of the free-electron models by Drude and Sommerfeld, the methods for calculating and measuring the band structure of Bloch electrons moving in the periodic potent...

  9. Hydraulic turbines

    International Nuclear Information System (INIS)

    Meluk O, G.

    1998-01-01

    The hydraulic turbines are defined according to the specific speed, in impulse turbines and in reaction turbines. Currently, the Pelton turbines (of impulse) and the Francis and Kaplan turbines (of reaction), they are the most important machines in the hydroelectric generation. The hydraulic turbines are capable of generating in short times, large powers, from its loads zero until the total load and reject the load instantly without producing damages in the operation. When the hydraulic resources are important, the hydraulic turbines are converted in the axle of the electric system. Its combination with thermoelectric generation systems, it allow the continuing supply of the variations in demand of energy system. The available hydraulic resource in Colombia is of 93085 MW, of which solely 9% is exploited, become 79% of all the electrical country generation, 21% remaining is provided by means of the thermoelectric generation

  10. Properties of Trapped Electron Bunches in a Plasma Wakefield Accelerator

    Energy Technology Data Exchange (ETDEWEB)

    Kirby, Neil; /SLAC

    2009-10-30

    Plasma-based accelerators use the propagation of a drive bunch through plasma to create large electric fields. Recent plasma wakefield accelerator (PWFA) experiments, carried out at the Stanford Linear Accelerator Center (SLAC), successfully doubled the energy for some of the 42 GeV drive bunch electrons in less than a meter; this feat would have required 3 km in the SLAC linac. This dissertation covers one phenomenon associated with the PWFA, electron trapping. Recently it was shown that PWFAs, operated in the nonlinear bubble regime, can trap electrons that are released by ionization inside the plasma wake and accelerate them to high energies. These trapped electrons occupy and can degrade the accelerating portion of the plasma wake, so it is important to understand their origins and how to remove them. Here, the onset of electron trapping is connected to the drive bunch properties. Additionally, the trapped electron bunches are observed with normalized transverse emittance divided by peak current, {epsilon}{sub N,x}/I{sub t}, below the level of 0.2 {micro}m/kA. A theoretical model of the trapped electron emittance, developed here, indicates that the emittance scales inversely with the square root of the plasma density in the non-linear 'bubble' regime of the PWFA. This model and simulations indicate that the observed values of {epsilon}{sub N,x}/I{sub t} result from multi-GeV trapped electron bunches with emittances of a few {micro}m and multi-kA peak currents. These properties make the trapped electrons a possible particle source for next generation light sources. This dissertation is organized as follows. The first chapter is an overview of the PWFA, which includes a review of the accelerating and focusing fields and a survey of the remaining issues for a plasma-based particle collider. Then, the second chapter examines the physics of electron trapping in the PWFA. The third chapter uses theory and simulations to analyze the properties of the trapped

  11. Estimation of Hydraulic properties of a sandy soil using ground-based active and passive microwave remote sensing

    KAUST Repository

    Jonard, Franç ois; Weihermü ller, Lutz; Schwank, Mike; Jadoon, Khan; Vereecken, Harry; Lambot, Sé bastien

    2015-01-01

    profiles, and thereby estimate the sand water retention curve described using the van Genuchten model. Uncertainty of the estimated hydraulic parameters was quantified using the Bayesian-based DREAM algorithm. For both radiometer and GPR methods

  12. Electronic structure properties of UO2 as a Mott insulator

    Science.gov (United States)

    Sheykhi, Samira; Payami, Mahmoud

    2018-06-01

    In this work using the density functional theory (DFT), we have studied the structural, electronic and magnetic properties of uranium dioxide with antiferromagnetic 1k-, 2k-, and 3k-order structures. Ordinary approximations in DFT, such as the local density approximation (LDA) or generalized gradient approximation (GGA), usually predict incorrect metallic behaviors for this strongly correlated electron system. Using Hubbard term correction for f-electrons, LDA+U method, as well as using the screened Heyd-Scuseria-Ernzerhof (HSE) hybrid functional for the exchange-correlation (XC), we have obtained the correct ground-state behavior as an insulator, with band gaps in good agreement with experiment.

  13. Electronic properties of bromine-doped carbon nanotubes

    CERN Document Server

    Jhi, S H; Cohen, M L

    2002-01-01

    Intercalation of bromine molecules (Br2) into single-wall carbon nanotube (SWNT) ropes is studied using the ab initio pseudopotential density functional method. Electronic and vibrational properties of the SWNT and Br2 are studied for various bromine concentrations. A drastic change in the charge transfer, bromine stretching-mode, and bromine bond-length is observed when the bromine-bromine distance decreases. Calculated electronic structures show that, at high bromine concentrations, the bromine ppsigma level broadens due to the interbromine interaction. These states overlap with the electronic bands of the SWNT near the Fermi level which results in a substantial charge transfer from carbon to bromine.

  14. Correlating substituent parameter values to electron transport properties of molecules

    International Nuclear Information System (INIS)

    Vedova-Brook, Natalie; Matsunaga, Nikita; Sohlberg, Karl

    2004-01-01

    There are a vast number of organic compounds that could be considered for use in molecular electronics. Because of this, the need for efficient and economical screening tools has emerged. We demonstrate that the substituent parameter values (σ), commonly found in advanced organic chemistry textbooks, correlate strongly with features of the charge migration process, establishing them as useful indicators of electronic properties. Specifically, we report that ab initio derived electronic charge transfer values for 16 different substituted aromatic molecules for molecular junctions correlate to the σ values with a correlation coefficient squared (R 2 ) of 0.863

  15. Charge-transfer properties in the gas electron multiplier

    International Nuclear Information System (INIS)

    Han, Sanghyo; Kim, Yongkyun; Cho, Hyosung

    2004-01-01

    The charge transfer properties of a gas electron multiplier (GEM) were systematically investigated over a broad range of electric field configurations. The electron collection efficiency and the charge sharing were found to depend on the external fields, as well as on the GEM voltage. The electron collection efficiency increased with the collection field up to 90%, but was essentially independent of the drift field strength. A double conical GEM has a 10% gain increase with time due to surface charging by avalanche ions whereas this effect was eliminated with the cylindrical GEM. The positive-ion feedback is also estimated. (author)

  16. One-Electron Theory of Metals. Cohesive and Structural Properties

    DEFF Research Database (Denmark)

    Skriver, Hans Lomholt

    The work described in the report r.nd the 16 accompanying publications is based upon a one-electron theory obtained within the local approximation to density-functional theory, and deals with the ground state of metals as obtained from selfconsistent electronic-structure calculations performed...... by means of the Linear Muffin-Tin Orbital (LMTO) method. It has been the goal of the work to establish how well this one-electron approach describes physical properties such as the crystal structures of the transition metals, the structural phase transitions in the alkali, alkaline earth, and rare earth...

  17. Determining the hydraulic and fracture properties of the Coal Seam Gas well by numerical modelling and GLUE analysis

    Science.gov (United States)

    Askarimarnani, Sara; Willgoose, Garry; Fityus, Stephen

    2017-04-01

    Coal seam gas (CSG) is a form of natural gas that occurs in some coal seams. Coal seams have natural fractures with dual-porosity systems and low permeability. In the CSG industry, hydraulic fracturing is applied to increase the permeability and extract the gas more efficiently from the coal seam. The industry claims that it can design fracking patterns. Whether this is true or not, the public (and regulators) requires assurance that once a well has been fracked that the fracking has occurred according to plan and that the fracked well is safe. Thus defensible post-fracking testing methodologies for gas generating wells are required. In 2009 a fracked well HB02, owned by AGL, near Broke, NSW, Australia was subjected to "traditional" water pump-testing as part of this assurance process. Interpretation with well Type Curves and simple single phase (i.e. only water, no gas) highlighted deficiencies in traditional water well approaches with a systemic deviation from the qualitative characteristic of well drawdown curves (e.g. concavity versus convexity of drawdown with time). Accordingly a multiphase (i.e. water and methane) model of the well was developed and compared with the observed data. This paper will discuss the results of this multiphase testing using the TOUGH2 model and its EOS7C constitutive model. A key objective was to test a methodology, based on GLUE monte-carlo calibration technique, to calibrate the characteristics of the frack using the well test drawdown curve. GLUE involves a sensitivity analysis of how changes in the fracture properties change the well hydraulics through and analysis of the drawdown curve and changes in the cone of depression. This was undertaken by changing the native coal, fracture, and gas parameters to see how changing those parameters changed the match between simulations and the observed well drawdown. Results from the GLUE analysis show how much information is contained in the well drawdown curve for estimating field scale

  18. Layered Black Phosphorus: Strongly Anisotropic Magnetic, Electronic, and Electron-Transfer Properties.

    Science.gov (United States)

    Sofer, Zdeněk; Sedmidubský, David; Huber, Štěpán; Luxa, Jan; Bouša, Daniel; Boothroyd, Chris; Pumera, Martin

    2016-03-01

    Layered elemental materials, such as black phosphorus, exhibit unique properties originating from their highly anisotropic layered structure. The results presented herein demonstrate an anomalous anisotropy for the electrical, magnetic, and electrochemical properties of black phosphorus. It is shown that heterogeneous electron transfer from black phosphorus to outer- and inner-sphere molecular probes is highly anisotropic. The electron-transfer rates differ at the basal and edge planes. These unusual properties were interpreted by means of calculations, manifesting the metallic character of the edge planes as compared to the semiconducting properties of the basal plane. This indicates that black phosphorus belongs to a group of materials known as topological insulators. Consequently, these effects render the magnetic properties highly anisotropic, as both diamagnetic and paramagnetic behavior can be observed depending on the orientation in the magnetic field. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  19. Properties of Commercial PVC Films with Respect to Electron Dosimetry

    DEFF Research Database (Denmark)

    Miller, Arne; Liqing, Xie

    The properties of three commercially available polyvinyl chloride (PVC) film supplies and one made without additives were tested with respect to their application as routine dose monitors at electron accelerators. Dose fractionation was found to increase the response and the post-irradiation heat...

  20. Anomalous optical and electronic properties of dense sodium

    International Nuclear Information System (INIS)

    Li Dafang; Liu Hanyu; Wang Baotian; Shi Hongliang; Zhu Shaoping; Yan Jun; Zhang Ping

    2010-01-01

    Based on the density functional theory, we systematically study the optical and electronic properties of the insulating dense sodium phase (Na-hp4) reported recently (Ma et al., 2009). The structure is found optically anisotropic. Through Bader analysis, we conclude that ionicity exists in the structure and becomes stronger with increasing pressure.

  1. Electronic properties and Compton profiles of silver iodide

    Indian Academy of Sciences (India)

    We have carried out an extensive study of electronic properties of silver iodide in - and -phases. The theoretical Compton profiles, energy bands, density of states and anisotropies in momentum densities are computed using density functional theories. We have also employed full-potential linearized augmented ...

  2. Structural, elastic, electronic and optical properties of bi-alkali ...

    Indian Academy of Sciences (India)

    The structural parameters, elastic constants, electronic and optical properties of the bi-alkali ... and efficient method for the calculation of the ground-state ... Figure 2. Optimization curve (E–V) of the bi-alkali antimonides: (a) Na2KSb, (b) Na2RbSb, (c) Na2CsSb, .... ical shape of the charge distributions in the contour plots.

  3. Structural, energetic and electronic properties of intercalated boron ...

    Indian Academy of Sciences (India)

    2National Institute for R&D of Isotopic and Molecular Technologies, Cluj-Napoca 400 293, Romania. MS received 8 November 2010; revised 28 March 2012. Abstract. The effects of chirality and the intercalation of transitional metal atoms inside single walled BN nano- tubes on structural, energetic and electronic properties ...

  4. Morphology and electronic properties of the pentacene on cobalt interface

    NARCIS (Netherlands)

    Tiba, M. V.; Koopmans, B.; Jonkman, Harry; de Jonge, W.J.M.

    2006-01-01

    In this paper, we report the structural and electronic properties of pentacene thin films grown on a polycrystalline Co film using atomic force microscopy and ultraviolet photoemission spectroscopy (UPS), respectively. Investigation of this type of interface is of importance for the engineering of

  5. Electronic structure and optical properties of thorium monopnictides

    Indian Academy of Sciences (India)

    Unknown

    Indian Academy of Sciences. 165. Electronic structure and optical properties of thorium monopnictides. S KUMAR* and S AULUCK†. Physics Department, Institute of Engineering and Technology, M.J.P. Rohilkhand University, Bareilly 243 006,. India. †Department of Physics, Indian Institute of Technology, Roorkee 247 667, ...

  6. Tailoring electronic properties of multilayer phosphorene by siliconization

    Science.gov (United States)

    Malyi, Oleksandr I.; Sopiha, Kostiantyn V.; Radchenko, Ihor; Wu, Ping; Persson, Clas

    Controlling a thickness dependence of electronic properties for two-dimensional (2d) materials is among primary goals for their large-scale applications. Herein, employing a first-principles computational approach, we predict that Si interaction with multilayer phosphorene (2d-P) can result in the formation of highly stable 2d-SiP and 2d-SiP$_2$ compounds with a weak interlayer interaction. Our analysis demonstrates that these systems are semiconductors with band gap energies that can be governed by varying the thickness and stacking order. Specifically, siliconization of phosphorene allows to design 2d-SiP$_x$ materials with significantly weaker thickness dependence of electronic properties than that in 2d-P and to develop ways for their tailoring. We also reveal the spatial dependence of electronic properties for 2d-SiP$_x$ highlighting difference in effective band gaps for different layers. Particularly, our results show that central layers in the multilayer 2d systems determine overall electronic properties, while the role of the outermost layers is noticeably smaller.

  7. Enhancing roll stability of heavy vehicle by LQR active anti-roll bar control using electronic servo-valve hydraulic actuators

    Science.gov (United States)

    Vu, Van Tan; Sename, Olivier; Dugard, Luc; Gaspar, Peter

    2017-09-01

    Rollover of heavy vehicle is an important road safety problem world-wide. Although rollovers are relatively rare events, they are usually deadly accidents when they occur. The roll stability loss is the main cause of rollover accidents in which heavy vehicles are involved. In order to improve the roll stability, most of modern heavy vehicles are equipped with passive anti-roll bars to reduce roll motion during cornering or riding on uneven roads. However these may be not sufficient to overcome critical situations. This paper introduces the active anti-roll bars made of four electronic servo-valve hydraulic actuators, which are modelled and integrated in a yaw-roll model of a single unit heavy vehicle. The control signal is the current entering the electronic servo-valve and the output is the force generated by the hydraulic actuator. The active control design is achieved solving a linear optimal control problem based on the linear quadratic regulator (LQR) approach. A comparison of several LQR controllers is provided to allow for tackling the considered multi-objective problems. Simulation results in frequency and time domains show that the use of two active anti-roll bars (front and rear axles) drastically improves the roll stability of the single unit heavy vehicle compared with the passive anti-roll bar.

  8. Basic hydraulics

    CERN Document Server

    Smith, P D

    1982-01-01

    BASIC Hydraulics aims to help students both to become proficient in the BASIC programming language by actually using the language in an important field of engineering and to use computing as a means of mastering the subject of hydraulics. The book begins with a summary of the technique of computing in BASIC together with comments and listing of the main commands and statements. Subsequent chapters introduce the fundamental concepts and appropriate governing equations. Topics covered include principles of fluid mechanics; flow in pipes, pipe networks and open channels; hydraulic machinery;

  9. Machine learning of molecular electronic properties in chemical compound space

    Science.gov (United States)

    Montavon, Grégoire; Rupp, Matthias; Gobre, Vivekanand; Vazquez-Mayagoitia, Alvaro; Hansen, Katja; Tkatchenko, Alexandre; Müller, Klaus-Robert; Anatole von Lilienfeld, O.

    2013-09-01

    The combination of modern scientific computing with electronic structure theory can lead to an unprecedented amount of data amenable to intelligent data analysis for the identification of meaningful, novel and predictive structure-property relationships. Such relationships enable high-throughput screening for relevant properties in an exponentially growing pool of virtual compounds that are synthetically accessible. Here, we present a machine learning model, trained on a database of ab initio calculation results for thousands of organic molecules, that simultaneously predicts multiple electronic ground- and excited-state properties. The properties include atomization energy, polarizability, frontier orbital eigenvalues, ionization potential, electron affinity and excitation energies. The machine learning model is based on a deep multi-task artificial neural network, exploiting the underlying correlations between various molecular properties. The input is identical to ab initio methods, i.e. nuclear charges and Cartesian coordinates of all atoms. For small organic molecules, the accuracy of such a ‘quantum machine’ is similar, and sometimes superior, to modern quantum-chemical methods—at negligible computational cost.

  10. Machine learning of molecular electronic properties in chemical compound space

    International Nuclear Information System (INIS)

    Montavon, Grégoire; Müller, Klaus-Robert; Rupp, Matthias; Gobre, Vivekanand; Hansen, Katja; Tkatchenko, Alexandre; Vazquez-Mayagoitia, Alvaro; Anatole von Lilienfeld, O

    2013-01-01

    The combination of modern scientific computing with electronic structure theory can lead to an unprecedented amount of data amenable to intelligent data analysis for the identification of meaningful, novel and predictive structure–property relationships. Such relationships enable high-throughput screening for relevant properties in an exponentially growing pool of virtual compounds that are synthetically accessible. Here, we present a machine learning model, trained on a database of ab initio calculation results for thousands of organic molecules, that simultaneously predicts multiple electronic ground- and excited-state properties. The properties include atomization energy, polarizability, frontier orbital eigenvalues, ionization potential, electron affinity and excitation energies. The machine learning model is based on a deep multi-task artificial neural network, exploiting the underlying correlations between various molecular properties. The input is identical to ab initio methods, i.e. nuclear charges and Cartesian coordinates of all atoms. For small organic molecules, the accuracy of such a ‘quantum machine’ is similar, and sometimes superior, to modern quantum-chemical methods—at negligible computational cost. (paper)

  11. Substitutionally doped phosphorene: electronic properties and gas sensing.

    Science.gov (United States)

    Suvansinpan, Nawat; Hussain, Fayyaz; Zhang, Gang; Chiu, Cheng Hsin; Cai, Yongqing; Zhang, Yong-Wei

    2016-02-12

    Phosphorene, a new elemental two-dimensional material, has attracted increasing attention owing to its intriguing electronic properties. In particular, pristine phospohorene, due to its ultrahigh surface-volume ratio and high chemical activity, has been shown to be promising for gas sensing (Abbas et al 2015 ACS Nano 9 5618). To further enhance its sensing ability, we perform first-principles calculations based on density functional theory to study substitutionally doped phosphorene with 17 different atoms, focusing on structures, energetics, electronic properties and gas sensing. Our calculations reveal that anionic X (X = O, C and S) dopants have a large binding energy and highly dispersive electronic states, signifying the formation of covalent X-P bonds and thus strong structural stability. Alkali atom (Li and Na) doping is found to donate most of the electrons in the outer s-orbital by forming ionic bonds with P, and the band gap decreases by pushing down the conduction band, suggesting that the optical and electronic properties of the doped phosphorene can be tailored. For doping with VIIIB-group (Fe, Co and Ni) elements, a strong affinity is predicted and the binding energy and charge transfer are correlated strongly with their electronegativity. By examining NO molecule adsorption, we find that these metal doped phosphorenes (MDPs) in general exhibit a significantly enhanced chemical activity compared with pristine phosphorene. Our study suggests that substitutionally doped phosphorene shows many intriguing electronic and optic properties different from pristine phosphorene and MDPs are promising in chemical applications involving molecular adsorption and desorption processes, such as materials growth, catalysis, gas sensing and storage.

  12. Intellectual property in consumer electronics, software and technology startups

    CERN Document Server

    Halt, Jr , Gerald B; Stiles, Amber R; Fesnak, Robert

    2014-01-01

    This book provides a comprehensive guide to procuring, utilizing and monetizing intellectual property rights, tailored for readers in the high-tech consumer electronics and software industries, as well as technology startups.  Numerous, real examples, case studies and scenarios are incorporated throughout the book to illustrate the topics discussed.  Readers will learn what to consider throughout the various creative phases of a product’s lifespan from initial research and development initiatives through post-production.  Readers will gain an understanding of the intellectual property protections afforded to U.S. corporations, methods to pro-actively reduce potential problems, and guidelines for future considerations to reduce legal spending, prevent IP theft, and allow for greater profitability from corporate innovation and inventiveness. • Offers a comprehensive guide to intellectual property for readers in high-tech consumer electronics, software and technology startups; • Uses real case studies...

  13. Properties of the electron cloud in a high-energy positron and electron storage ring

    International Nuclear Information System (INIS)

    Harkay, K.C.; Rosenberg, R.A.

    2003-01-01

    Low-energy, background electrons are ubiquitous in high-energy particle accelerators. Under certain conditions, interactions between this electron cloud and the high-energy beam can give rise to numerous effects that can seriously degrade the accelerator performance. These effects range from vacuum degradation to collective beam instabilities and emittance blowup. Although electron-cloud effects were first observed two decades ago in a few proton storage rings, they have in recent years been widely observed and intensely studied in positron and proton rings. Electron-cloud diagnostics developed at the Advanced Photon Source enabled for the first time detailed, direct characterization of the electron-cloud properties in a positron and electron storage ring. From in situ measurements of the electron flux and energy distribution at the vacuum chamber wall, electron-cloud production mechanisms and details of the beam-cloud interaction can be inferred. A significant longitudinal variation of the electron cloud is also observed, due primarily to geometrical details of the vacuum chamber. Such experimental data can be used to provide realistic limits on key input parameters in modeling efforts, leading ultimately to greater confidence in predicting electron-cloud effects in future accelerators.

  14. Magnetic and electronic properties of some actinide intermetallic compounds

    International Nuclear Information System (INIS)

    Yaar, Ilan

    1992-06-01

    The electronic structure and magnetic properties of the light actinide intermetallic compounds are often related to interplay between localized and itinerant (band like) behavior of the 5f- electrons. In the present work, the properties of some actinide, mainly Np, intermetallic compounds were studied by Mossbauer effect, ac and dc susceptibility, X-ray and Neutron diffraction techniques. 1. NpX 2 (X=Ga,Si) - Both compounds order ferromagnetically at TC=55(2) and 48(2) K respectively. A comparison of our data with the results for other NpX 2 (X=Al,As,Sb,Tl) compounds indicates that NpGa 2 is a highly localized 5f electron system, whereas in NpSi 2 the 5f electrons are partially delocalized. The magnetic properties of NpX 2 compounds can neither be consistently explained within the conventional crystal electric field picture (CEF) nor by takink into account hybridization dressing of local spin density models. 2. NpX 3 (X=Ga,Si,In,Al) in the cubic AuCu 3 (Pm3m) crystallographic structure - From the Mossbauer isomer shift (IS) data we argue that the Np ion in the NpX 3 family is close to the formal 3+ (5I 4 ) charge state. The magnetic moment of the Np in NpSi 3 is totally suppressed whereas in NpGa 3 and NpAl 3 a localized (narrow band) moment is established. However, in NpIn 3 at 4.2 K, a modulated magnetic moment (0-1.5μB) is observed. Comparing the magnetic behavior of the NpX 3 family (X=Si,Ge,Ga, Al,In and Sn), we find an impressive variation of the magnetic properties, from temperature independent paramagnetism (TIP), localized and modulated ordered moments, to the formation of a concentrated Kondo lattice. Hybridization of 5f electrons with ligand electrons appears to play a crucial role in establishing these magnetic properties. However, at present a consistent theoretical picture can not be drawn. 3. XFe 4 Al 8 (X=Ho,Np,U) spin galss (SG) systems in the ThMn 12 (I 4 /mmm) crystallographic structure - Localized and itinerant behaviour of the f electrons

  15. Hydraulic Structures

    Data.gov (United States)

    Department of Homeland Security — This table is required whenever hydraulic structures are shown in the flood profile. It is also required if levees are shown on the FIRM, channels containing the...

  16. First principles study of electronic properties, interband transitions and electron energy loss of α-graphyne

    Science.gov (United States)

    Behzad, Somayeh

    2016-04-01

    The electronic and optical properties of α-graphyne sheet are investigated by using density functional theory. The results confirm that α-graphyne sheet is a zero-gap semimetal. The optical properties of the α-graphyne sheet such as dielectric function, refraction index, electron energy loss function, reflectivity, absorption coefficient and extinction index are calculated for both parallel and perpendicular electric field polarizations. The optical spectra are strongly anisotropic along these two polarizations. For (E ∥ x), absorption edge is at 0 eV, while there is no absorption below 8 eV for (E ∥ z).

  17. Mechanical and electronic properties of Janus monolayer transition metal dichalcogenides

    Science.gov (United States)

    Shi, Wenwu; Wang, Zhiguo

    2018-05-01

    The mechanical and electronic properties of Janus monolayer transition metal dichalcogenides MXY (M  =  Ti, Zr, Hf, V, Nb, Ta, Cr, Mo, W; X/Y  =  S, Se, Te) were investigated using density functional theory. Results show that breaking the out-of-plane structural symmetry can be used to tune the electronic and mechanical behavior of monolayer transition metal dichalcogenides. The band gaps of monolayer WXY and MoXY are in the ranges of 0.16–1.91 and 0.94–1.69 eV, respectively. A semiconductor to metallic phase transition occurred in Janus monolayer MXY (M  =  Ti, Zr and Hf). The monolayers MXY (M  =  V, Nb, Ta and Cr) show metallic characteristics, which show no dependence on the structural symmetry breaking. The mechanical properties of MXY depended on the composition. Monolayer MXY (M  =  Mo, Ti, Zr, Hf and W) showed brittle characteristic, whereas monolayer CrXY and VXY are with ductile characteristic. The in-plane stiffness of pristine and Janus monolayer MXY are in the range between 22 and 158 N m‑1. The tunable electronic and mechanical properties of these 2D materials would advance the development of ultra-sensitive detectors, nanogenerators, low-power electronics, and energy harvesting and electromechanical systems.

  18. Carbon nanotube on Si(001): structural and electronic properties

    International Nuclear Information System (INIS)

    Orellana, W.; Fazzio, A.; Miwa, R.W.

    2003-01-01

    Full text: The promising nanoscale technology based on carbon nanotubes has attracted much attention due to the unique electronic, chemical and mechanical properties of the nanotubes. Single-wall carbon nanotubes (SWCNs) provide an ideal atomically uniform one dimensional (1D) conductors, having a strong electronic confinement around its circumference, which can be retained up to room temperature[1]. This interesting property may lead one to consider SWCNs as 1D conductors for the development of nanoscale electronic devices. In this work the structural and electronic properties of the contact between a metallic (6,6) SWCN adsorbed on a silicon (001) surface are studied from first-principles total-energy calculations. We consider two adsorption sites for the tube on the Si(001) surface: on the top of the Si-dimer rows and on the surface 'trench' between two consecutive dimer rows. Our results show a chemical bond between the nanotube and Si(001) when the tube is located along the 'trench', which corresponds to the only bound structure. We find a binding energy per tube length of 0.21 eV/angstrom. We also verified that the binding energy depends on the rotation of the tube. Typically, a rotation of 15 deg can reduce the binding energy up to 0.07 eV/angstrom. Our calculated electronic properties indicate that the most stable structure shows a subband associated to the tube/surface bond that cross the Fermi level. This result indicates an enhanced metallic behavior along the tube/surface contact characterizing a 1D quantum wire. The charge transfer between the Si surface and the tube is also discussed. [1] Z. Yao, C. Dekker, and P. Avouris in Carbon Nanotubes, M. S. Dresselhaus, G. Dresselhaus, and P. Avouris Eds., (Springer, Berlin 2001), p. 147. (author)

  19. Electronic properties and phase transitions in low-dimensional semiconductors

    International Nuclear Information System (INIS)

    Panich, A M

    2008-01-01

    We present the first review of the current state of the literature on electronic properties and phase transitions in TlX and TlMX 2 (M = Ga, In; X = Se, S, Te) compounds. These chalcogenides belong to a family of the low-dimensional semiconductors possessing chain or layered structure. They are of significant interest because of their highly anisotropic properties, semi- and photoconductivity, nonlinear effects in their I-V characteristics (including a region of negative differential resistance), switching and memory effects, second harmonic optical generation, relaxor behavior and potential applications for optoelectronic devices. We review the crystal structure of TlX and TlMX 2 compounds, their transport properties under ambient conditions, experimental and theoretical studies of the electronic structure, transport properties and semiconductor-metal phase transitions under high pressure, and sequences of temperature-induced structural phase transitions with intermediate incommensurate states. The electronic nature of the ferroelectric phase transitions in the above-mentioned compounds, as well as relaxor behavior, nanodomains and possible occurrence of quantum dots in doped and irradiated crystals is discussed. (topical review)

  20. Measurements of Lunar Dust Charging Properties by Electron Impact

    Science.gov (United States)

    Abbas, Mian M.; Tankosic, Dragana; Craven, Paul D.; Schneider, Todd A.; Vaughn, Jason A.; LeClair, Andre; Spann, James F.; Norwood, Joseph K.

    2009-01-01

    Dust grains in the lunar environment are believed to be electrostatically charged predominantly by photoelectric emissions resulting from solar UV radiation on the dayside, and on the nightside by interaction with electrons in the solar wind plasma. In the high vacuum environment on the lunar surface with virtually no atmosphere, the positive and negative charge states of micron/submicron dust grains lead to some unusual physical and dynamical dust phenomena. Knowledge of the electrostatic charging properties of dust grains in the lunar environment is required for addressing their hazardous effect on the humans and mechanical systems. It is well recognized that the charging properties of individual small micron size dust grains are substantially different from the measurements on bulk materials. In this paper we present the results of measurements on charging of individual Apollo 11 and Apollo 17 dust grains by exposing them to mono-energetic electron beams in the 10-100 eV energy range. The charging/discharging rates of positively and negatively charged particles of approx. 0.1 to 5 micron radii are discussed in terms of the sticking efficiencies and secondary electron yields. The secondary electron emission process is found to be a complex and effective charging/discharging mechanism for incident electron energies as low as 10-25 eV, with a strong dependence on particle size. Implications of the laboratory measurements on the nature of dust grain charging in the lunar environment are discussed.

  1. Electronic, mechanical and dielectric properties of silicane under tensile strain

    International Nuclear Information System (INIS)

    Jamdagni, Pooja; Sharma, Munish; Ahluwalia, P. K.; Kumar, Ashok; Thakur, Anil

    2015-01-01

    The electronic, mechanical and dielectric properties of fully hydrogenated silicene i.e. silicane in stable configuration are studied by means of density functional theory based calculations. The band gap of silicane monolayer can be flexibly reduced to zero when subjected to bi-axial tensile strain, leading to semi-conducting to metallic transition, whereas the static dielectric constant for in-plane polarization increases monotonically with increasing strain. Also the EEL function show the red shift in resonance peak with tensile strain. Our results offer useful insight for the application of silicane monolayer in nano-optical and electronics devices

  2. Acoustic and electronic properties of one-dimensional quasicrystals

    International Nuclear Information System (INIS)

    Nori, F.; Rodriguez, J.P.

    1986-01-01

    We study the acoustic and electronic properties of one-dimensional quasicrystals. Both numerical (nonperturbative) and analytical (perturbative) results are shown. The phonon and electronic spectra exhibit a self-similar hierarchy of gaps and many localized states in the gaps. We study quasiperiodic structures with any number of layers and several types of boundary conditions. We discuss the connection between our phonon model and recent experiments on quasiperiodic GaAs-AlAs superlattices. We predict the existence of many gap states localized at the surfaces

  3. Electronic and chemical properties of barium and indium clusters

    International Nuclear Information System (INIS)

    Onwuagba, B.N.

    1992-11-01

    The ground state electronic and chemical properties of divalent barium and trivalent indium are investigated in a self-consistent manner using the spin-polarized local density approximation in the framework of Density Functional Theory. A jellium model is adopted in the spirit of Gunnarsson and Lundqvist exchange and correlation energies and the calculated properties primarily associated with the s-p orbitals in barium and p orbitals in indium provide deepened insight towards the understanding of the mechanisms to the magic numbers in both clusters. (author). 21 refs, 5 figs

  4. Exploring the morphological and electronic properties of silicene superstructures

    International Nuclear Information System (INIS)

    Grazianetti, Carlo; Chiappe, Daniele; Cinquanta, Eugenio; Tallarida, Grazia; Fanciulli, Marco; Molle, Alessandro

    2014-01-01

    Silicene, the Si counterpart of graphene, grows on Ag(111) forming domains. Investigation, by means of scanning tunneling microscopy, of morphological properties is carried out by considering post-deposition process. Particular attention is here addressed to the post-deposition annealing temperature, which plays an important role in determining the resulting morphology. On the other hand, electronic properties are probed by scanning tunneling spectroscopy and a position-dependent local density of states results, which can be understood in terms of symmetry breaking in the honeycomb lattice.

  5. Exploring the morphological and electronic properties of silicene superstructures

    Energy Technology Data Exchange (ETDEWEB)

    Grazianetti, Carlo, E-mail: carlo.grazianetti@mdm.imm.cnr.it [Laboratorio MDM, IMM-CNR, via C. Olivetti 2, I-20864 Agrate Brianza, MB (Italy); Dipartimento di Scienza dei Materiali, Università degli Studi di Milano Bicocca, via R. Cozzi 53, I-20126 Milano, MI (Italy); Chiappe, Daniele; Cinquanta, Eugenio; Tallarida, Grazia [Laboratorio MDM, IMM-CNR, via C. Olivetti 2, I-20864 Agrate Brianza, MB (Italy); Fanciulli, Marco [Laboratorio MDM, IMM-CNR, via C. Olivetti 2, I-20864 Agrate Brianza, MB (Italy); Dipartimento di Scienza dei Materiali, Università degli Studi di Milano Bicocca, via R. Cozzi 53, I-20126 Milano, MI (Italy); Molle, Alessandro, E-mail: alessandro.molle@mdm.imm.cnr.it [Laboratorio MDM, IMM-CNR, via C. Olivetti 2, I-20864 Agrate Brianza, MB (Italy)

    2014-02-01

    Silicene, the Si counterpart of graphene, grows on Ag(111) forming domains. Investigation, by means of scanning tunneling microscopy, of morphological properties is carried out by considering post-deposition process. Particular attention is here addressed to the post-deposition annealing temperature, which plays an important role in determining the resulting morphology. On the other hand, electronic properties are probed by scanning tunneling spectroscopy and a position-dependent local density of states results, which can be understood in terms of symmetry breaking in the honeycomb lattice.

  6. Characterising the water use and hydraulic properties of riparian tree invasions: A case study of Populus canescens in South Africa

    CSIR Research Space (South Africa)

    Ntshidi, Zanele

    2018-04-01

    Full Text Available catchment of South Africa. Whole tree hydraulic resistance ranged from ~ 1.4 MPa·h·g(sup)-1 for large trees to ~14.3 MPa·h·g(sup)-1 for the small ones. These resistances are higher than those found for poplars in temperate climates, suggesting substantial...

  7. Potential Impacts of Spilled Hydraulic Fracturing Fluid Chemicals on Water Resources: Types, volumes, and physical-chemical properties of chemicals

    Science.gov (United States)

    Hydraulic fracturing (HF) fluid chemicals spilled on-site may impact drinking water resources. While chemicals generally make up <2% of the total injected fluid composition by mass, spills may have undiluted concentrations. HF fluids typically consist of a mixture of base flui...

  8. Microscopical Studies of Structural and Electronic Properties of Semiconductors

    CERN Multimedia

    2002-01-01

    The electronic and structural properties of point defects in semiconductors, e.g. radiation defects, impurities or passivating defects can excellently be studied by the hyperfine technique of Perturbed Angular Correlation (PAC). The serious limitation of this method, the small number of chemically different radioactive PAC probe atoms can be widely overcome by means of ISOLDE. Providing shortliving isotopes, which represent common dopants as well as suitable PAC probe atoms, the ISOLDE facility enables a much broader application of PAC to problems in semiconductor physics.\\\\ Using the probe atom $^{111m}$ Cd , the whole class of III-V compounds becomes accessible for PAC investigations. First successful experiments in GaAs, InP and GaP have been performed, concerning impurity complex formation and plasma induced defects. In Si and Ge, the electronic properties~-~especially their influence on acceptor-donor interaction~-~could be exemplarily st...

  9. Study of electronic and structural properties of CaS

    International Nuclear Information System (INIS)

    Mirfenderski, M.; Akbarzdeh, H.; Mokhtari, A.

    2003-01-01

    The electronic and structural properties of CaS are calculated using full potential linearized augmented plane wave method within the local density approximation and generalized gradient approximation for the exchange -correlation energy. For both structures, NaCl structure (B1) and CsCl structure (B2), the obtained values for lattice parameters, bulk modulus and its pressure derivative and transition pressure are in reasonable agreement with the experimental values. For electronic properties, the obtained value for band gap is smaller than the experimental value as well as other calculated results based on density functional theory. Engel and Vosko calculated an exchange potential for some atoms within the so-called optimize-potential model and then used the virial relation and constructed a new exchange-correlation functional. We used that functional and obtained reasonable results for band gap. Finally we investigated the possibility for a third phase ( Zinc Blend structure) for this crystal

  10. Structural and electronic properties of GaAsBi

    International Nuclear Information System (INIS)

    Achour, H.; Louhibi, S.; Amrani, B.; Tebboune, A.; Sekkal, N.

    2008-05-01

    The structural and electronic properties of the GaAs 1-x Bi x ternary alloy are investigated by means of two first principles and full potential methods, the linear augmented plane waves (FPLAPW) method and a recent version of the full potential linear muffin-tin orbitals method (FPLMTO) which enables an accurate treatment of the interstitial regions. In particular, we have found that the maximal GaBi mole fraction x for which GaBixAs 1-x remains a semiconductor is probably around x = 0.5. The electronic properties of (GaAs) m /(GaBi) n quantum well superlattices (SLs) have also been calculated and it is found that such SLs are semiconductors when m is larger or equal to n. (author)

  11. Elastic properties and electron transport in InAs nanowires

    Energy Technology Data Exchange (ETDEWEB)

    Migunov, Vadim

    2013-02-22

    The electron transport and elastic properties of InAs nanowires grown by chemical vapor deposition on InAs (001) substrate were studied experimentally, in-situ in a transmission electron microscope (TEM). A TEM holder allowing the measurement of a nanoforce while simultaneous imaging nanowire bending was used. Diffraction images from local areas of the wire were recorded to correlate elastic properties with the atomic structure of the nanowires. Another TEM holder allowing the application of electrical bias between the nanowire and an apex of a metallic needle while simultaneous imaging the nanowire in TEM or performing electron holography was used to detect mechanical vibrations in mechanical study or holographical observation of the nanowire inner potential in the electron transport studies. The combination of the scanning probe methods with TEM allows to correlate the measured electric and elastic properties of the nanowires with direct identification of their atomic structure. It was found that the nanowires have different atomic structures and different stacking fault defect densities that impacts critically on the elastic properties and electric transport. The unique methods, that were applied in this work, allowed to obtain dependencies of resistivity and Young's modulus of left angle 111 right angle -oriented InAs nanowires on defect density and diameter. It was found that the higher is the defect density the higher are the resistivity and the Young's modulus. Regarding the resistivity, it was deduced that the stacking faults increase the scattering of the electrons in the nanowire. These findings are consistent with the literature, however, the effect described by the other groups is not so pronounced. This difference can be attributed to the significant incompleteness of the physical models used for the data analysis. Regarding the elastic modulus, there are several mechanisms affecting the elasticity of the nanowires discussed in the thesis. It

  12. Electronic structure and magnetic properties of Pd sub(3)Fe

    International Nuclear Information System (INIS)

    Kuhnen, C.A.

    1988-01-01

    In this work we study the electronic and magnetic properties of the Pd sub(3)Fe alloy. For the ordered phase of Pd sub(3)Fe we employed the Linear Muffin-Tin Orbitals Method, with the atomic sphere approximation, which is a first principles method and includes spin polarization. The theoretical results for the thermal and magnetic properties show good agreement with experience. Here we explain the formation of the localized magnetic moments from completely itinerant electrons. We investigate the influence of the hydrogen in the physical properties of the compound Pd sub(3)Fe, where we obtain a drastic reduction in the magnetic moments at the Pd and Fe sites. This reduction is confirmed by experience. The self consistent potentials of the Pd sub(3)Fe compound were used for an analysis of the influence of the disorder in the electronic structure of Pd sub(3)Fe alloy. To this end, we employ a spin polarized version of the Green's Function Method with the Coherent Potential Approximation (or KKR-CPA). The results obtained show that in random ferromagnetic alloys different degrees of disorder occurs for the different spin directions. The formation of the magnetic moments in these alloys were explained from the existence of 'virtual crystal' states for spin up electrons and 'split band' states for spin down electrons. Finally we employ the muffin-tin orbitals to calculate the X-ray photoemission spectra of the Pd sub(3)Fe and Pd sub(3)FeH compounds, which allows us a direct comparison between theory and experiment. (author)

  13. Size-dependent electronic properties of metal nanostructures

    Indian Academy of Sciences (India)

    Table of contents. Size-dependent electronic properties of metal nanostructures · Slide 2 · Slide 3 · Slide 4 · Slide 5 · Slide 6 · Slide 7 · Slide 8 · Slide 9 · Slide 10 · Slide 11 · Slide 12 · Slide 13 · Slide 14 · Slide 15 · Slide 16 · Slide 17 · Slide 18 · Slide 19 · Nanocrystalline film at liquid-liquid interface · Slide 21 · Slide 22.

  14. Structural and electronic properties of hydrosilylated silicon surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Baumer, A.

    2005-11-15

    The structural and electronic properties of alkyl-terminated Si surfaces prepared by thermallyinduced hydrosilylation have been studied in detail in the preceding chapters. Various surfaces have been used for the functionalization ranging from crystalline Si over amorphous hydrogenated Si to nanoscaled materials such as Si nanowires and nanoparticles. In each case, the alkyl-terminated surfaces have been compared to the native oxidized and H-terminated surfaces. (orig.)

  15. Local electronic and electrical properties of functionalized graphene nano flakes

    International Nuclear Information System (INIS)

    Chutia, Arunabhiram; Sahnoun, Riadh; Deka, Ramesh C.; Zhu, Zhigang; Tsuboi, Hideyuki; Takaba, Hiromitsu; Miyamoto, Akira

    2011-01-01

    Based on experimental findings models of amorphous graphene related carbon materials were generated using graphene nano flakes. On the optimized structures detailed local electronic properties were investigated using density functional theory. The electrical conductivities of all these models were also estimated using an in-house program based on tight-binding method. The calculated electrical conductivity values of all the models agreed well with the trend of calculated energy gap and graphitic character.

  16. Structural and electronic properties of L-amino acids

    Science.gov (United States)

    Tulip, P. R.; Clark, S. J.

    2005-05-01

    The structural and electronic properties of four L-amino acids alanine, leucine, isoleucine, and valine have been investigated using density functional theory (DFT) and the generalized gradient approximation. Within the crystals, it is found that the constituent molecules adopt zwitterionic configurations, in agreement with experimental work. Lattice constants are found to be in good agreement with experimentally determined values, although certain discrepancies do exist due to the description of van der Waals interactions. We find that these materials possess wide DFT band gaps in the region of 5 eV, with electrons highly localized to the constituent molecules. It is found that the main mechanisms behind crystal formation are dipolar interactions and hydrogen bonding of a primarily electrostatic character, in agreement with current biochemical understanding of these systems. The electronic structure suggests that the amine and carboxy functional groups are dominant in determining band structure.

  17. Water hydraulic applications in hazardous environments

    International Nuclear Information System (INIS)

    Siuko, M.; Koskinen, K.T.; Vilenius, M.J.

    1996-01-01

    Water hydraulic technology provides several advantages for devices operating in critical environment. Though water hydraulics has traditionally been used in very rough applications, gives recent strong development of components possibility to build more sophisticated applications and devices with similar capacity and control properties than those of oil hydraulics without the disadvantages of oil hydraulic systems. In this paper, the basic principles, possibilities and advantages of water hydraulics are highlighted, some of the most important design considerations are presented and recent developments of water hydraulic technology are presented. Also one interesting application area, ITER fusion reactor remote handling devices, are discussed. (Author)

  18. Electronic and magnetic properties of pristine and hydrogenated borophene nanoribbons

    Science.gov (United States)

    Meng, Fanchen; Chen, Xiangnan; Sun, Songsong; He, Jian

    2017-07-01

    The groundbreaking works in graphene and graphene nanoribbons (GNRs) over the past decade, and the very recent discovery of borophene naturally draw attention to the yet-to-be-explored borophene nanoribbons (BNRs). We herein report a density functional theory (DFT) study of the electronic and magnetic properties of BNRs. The foci are the impact of orientation (denoted as BxNRs and ByNRs with their respective periodic orientations along x- and y-axis), ribbon width (Nx, Ny=4-15), and hydrogenation effects on the geometric, electronic and magnetic properties of BNRs. We found that the anisotropic quasi-planar geometric structure of BNR and the edge states largely govern its electronic and magnetic properties. In particular, pristine ByNRs adopt a magnetic ground state, either anti-ferromagnetic (AFM) or ferromagnetic (FM) depending on the ribbon width, while pristine BxNRs are non-magnetic (NM). Upon hydrogenation, all BNRs exhibit NM. Interestingly, both pristine and hydrogenated ByNRs undergo a metal-semiconductor-metal transition at Ny=7, while all BxNRs remain metallic.

  19. Electronic properties of carbon nanotubes with polygonized cross sections

    International Nuclear Information System (INIS)

    Charlier, J.; Lambin, P.; Ebbesen, T.

    1996-01-01

    The electronic properties of carbon nanotubes having polygonized cross sections instead of purely circular ones, such as recently observed using transmission electron microscopy, are investigated with plane-wave ab initio pseudopotential local-density-functional calculations and simple tight-binding models. Strong σ * -π * hybridization effects occur in zigzag nanotubes due to the high curvature located near the edges of the polygonal cross-section prism. These effects, combined with a lowering of symmetry, dramatically affect the electronic properties of the nanotubes. It is found that modified low-lying conduction-band states are introduced either into the bandgap of insulating nanotubes, or below the degenerate states that form the top of the valence band of metallic nanotubes, leading the corresponding nanostructures to be metals, semimetals, or at least very-small-gap semiconductors. The degree of the polygon representing the cross section of the tube, and the sharpness of the edge angles, are found to be major factors in the hybridization effect, and consequently govern the electronic behavior at the Fermi level. copyright 1996 The American Physical Society

  20. Characterization of natural porous media by NMR and MRI techniques. High and low magnetic field studies for estimation of hydraulic properties

    Energy Technology Data Exchange (ETDEWEB)

    Stingaciu, Laura-Roxana

    2010-07-01

    The aim of this thesis is to apply different NMR techniques for: i) understanding the relaxometric properties of unsaturated natural porous media and ii) for a reliable quantification of water content and its spatial and temporal change in model porous media and soil cores. For that purpose, porous media with increasing complexity and heterogeneity were used (coarse and fine sand and different mixture of sand/clay) to determine the relaxation parameters in order to adapt optimal sequence and parameters for water imaging. Conventional imaging is mostly performed with superconducting high field scanners but low field scanners promise longer relaxation times and therefore smaller loss of signal from water in small and partially filled pores. By this reason high and low field NMR experiments were conducted on these porous media to characterize the dependence on the magnetic field strength. Correlations of the NMR experiments with classical soil physics method like mercury intrusion porosimetry; water retention curves (pF) and multi-step-outflow (MSO) were performed for the characterization of the hydraulic properties of the materials. Due to the extensive research the experiments have been structured in three major parts as follows. In the first part a comparison study between relaxation experiments in high and low magnetic field was performed in order to observe the influence of the magnetic field on the relaxation properties. Due to these results, in the second part of the study only low field relaxation experiments were used in the attempt of correlations with classical soil physics methods (mercury intrusion porosimetry and water retention curves) for characterizing the hydraulic behavior of the samples. Further, the aim was to combine also MRI experiments (2D and 3D NMR) with classical soil physics methods (multi-step-outflow, MSO) for the same purpose of investigating the hydraulic properties. Because low field MRI systems are still under developing for the

  1. Characterization of natural porous media by NMR and MRI techniques. High and low magnetic field studies for estimation of hydraulic properties

    International Nuclear Information System (INIS)

    Stingaciu, Laura-Roxana

    2010-01-01

    The aim of this thesis is to apply different NMR techniques for: i) understanding the relaxometric properties of unsaturated natural porous media and ii) for a reliable quantification of water content and its spatial and temporal change in model porous media and soil cores. For that purpose, porous media with increasing complexity and heterogeneity were used (coarse and fine sand and different mixture of sand/clay) to determine the relaxation parameters in order to adapt optimal sequence and parameters for water imaging. Conventional imaging is mostly performed with superconducting high field scanners but low field scanners promise longer relaxation times and therefore smaller loss of signal from water in small and partially filled pores. By this reason high and low field NMR experiments were conducted on these porous media to characterize the dependence on the magnetic field strength. Correlations of the NMR experiments with classical soil physics method like mercury intrusion porosimetry; water retention curves (pF) and multi-step-outflow (MSO) were performed for the characterization of the hydraulic properties of the materials. Due to the extensive research the experiments have been structured in three major parts as follows. In the first part a comparison study between relaxation experiments in high and low magnetic field was performed in order to observe the influence of the magnetic field on the relaxation properties. Due to these results, in the second part of the study only low field relaxation experiments were used in the attempt of correlations with classical soil physics methods (mercury intrusion porosimetry and water retention curves) for characterizing the hydraulic behavior of the samples. Further, the aim was to combine also MRI experiments (2D and 3D NMR) with classical soil physics methods (multi-step-outflow, MSO) for the same purpose of investigating the hydraulic properties. Because low field MRI systems are still under developing for the

  2. Evaluation of land surface model simulations of evapotranspiration over a 12 year crop succession: impact of the soil hydraulic properties

    Science.gov (United States)

    Garrigues, S.; Olioso, A.; Calvet, J.-C.; Martin, E.; Lafont, S.; Moulin, S.; Chanzy, A.; Marloie, O.; Desfonds, V.; Bertrand, N.; Renard, D.

    2014-10-01

    transpiration at the end of the crop cycles. The overestimation of the soil moisture at saturation triggers the underestimation of the soil evaporation during the wet soil periods. The use of field capacity values derived from laboratory retention measurements leads to inaccurate simulation of soil evaporation due to the lack of representativeness of the soil structure variability at the field scale. The most accurate simulation is achieved with the values of the soil hydraulic properties derived from field measured soil moisture. Their temporal analysis over each crop cycle provides meaningful estimates of the wilting point, the field capacity and the rooting depth to represent the crop water needs and accurately simulate the evapotranspiration over the crop succession. We showed that the uncertainties in the eddy-covariance measurements are significant and can explain a large part of the unresolved random differences between the simulations and the measurements of evapotranspiration. Other possible model shortcomings include the lack of representation of soil vertical heterogeneity and root profile along with inaccurate energy balance partitioning between the soil and the vegetation at low LAI.

  3. Improvement of carbon fiber surface properties using electron beam irradiation

    International Nuclear Information System (INIS)

    Pino, E.S.; Machado, L.D.B.; Giovedi, C.

    2007-01-01

    Carbon fiber-reinforced advance composites have been used for structural applications, mainly on account of their mechanical properties. The main factor for a good mechanical performance of carbon fiber-reinforced composite is the interfacial interaction between its components, which are carbon fiber and polymeric matrix. The aim of this study is to improve the surface properties of the carbon fiber using ionizing radiation from an electron beam to obtain better adhesion properties in the resultant composite. EB radiation was applied on the carbon fiber itself before preparing test specimens for the mechanical tests. Experimental results showed that EB irradiation improved the tensile strength of carbon fiber samples. The maximum value in tensile strength was reached using doses of about 250 kGy. After breakage, the morphology aspect of the tensile specimens prepared with irradiated and non-irradiated car- bon fibers were evaluated. SEM micrographs showed modifications on the carbon fiber surface. (authors)

  4. Electronic structure and optical properties of AIN under high pressure

    International Nuclear Information System (INIS)

    Li Zetao; Dang Suihu; Li Chunxia

    2011-01-01

    We have calculated the electronic structure and optical properties of Wurtzite structure AIN under different high pressure with generalized gradient approximation (GGA) in this paper. The total energy, density of state, energy band structure and optical absorption and reflection properties under high pressure are calculated. By comparing the changes of the energy band structure, we obtained AIN phase transition pressure for 16.7 GPa, which is a direct band structure transforming to an indirect band structure. Meanwhile, according to the density of states distribution and energy band structure, we analyzed the optical properties of AIN under high-pressure, the results showed that the absorption spectra moved from low-energy to high-energy. (authors)

  5. Electronic and Optical Properties of Twisted Bilayer Graphene

    Science.gov (United States)

    Huang, Shengqiang

    The ability to isolate single atomic layers of van der Waals materials has led to renewed interest in the electronic and optical properties of these materials as they can be fundamentally different at the monolayer limit. Moreover, these 2D crystals can be assembled together layer by layer, with controllable sequence and orientation, to form artificial materials that exhibit new features that are not found in monolayers nor bulk. Twisted bilayer graphene is one such prototype system formed by two monolayer graphene layers placed on top of each other with a twist angle between their lattices, whose electronic band structure depends on the twist angle. This thesis presents the efforts to explore the electronic and optical properties of twisted bilayer graphene by Raman spectroscopy and scanning tunneling microscopy measurements. We first synthesize twisted bilayer graphene with various twist angles via chemical vapor deposition. Using a combination of scanning tunneling microscopy and Raman spectroscopy, the twist angles are determined. The strength of the Raman G peak is sensitive to the electronic band structure of twisted bilayer graphene and therefore we use this peak to monitor changes upon doping. Our results demonstrate the ability to modify the electronic and optical properties of twisted bilayer graphene with doping. We also fabricate twisted bilayer graphene by controllable stacking of two graphene monolayers with a dry transfer technique. For twist angles smaller than one degree, many body interactions play an important role. It requires eight electrons per moire unit cell to fill up each band instead of four electrons in the case of a larger twist angle. For twist angles smaller than 0.4 degree, a network of domain walls separating AB and BA stacking regions forms, which are predicted to host topologically protected helical states. Using scanning tunneling microscopy and spectroscopy, these states are confirmed to appear on the domain walls when inversion

  6. Manganites in Perovskite Superlattices: Structural and Electronic Properties

    KAUST Repository

    Jilili, Jiwuer

    2016-07-13

    Perovskite oxides have the general chemical formula ABO3, where A is a rare-earth or alkali-metal cation and B is a transition metal cation. Perovskite oxides can be formed with a variety of constituent elements and exhibit a wide range of properties ranging from insulators, metals to even superconductors. With the development of growth and characterization techniques, more information on their physical and chemical properties has been revealed, which diversified their technological applications. Perovskite manganites are widely investigated compounds due to the discovery of the colossal magnetoresistance effect in 1994. They have a broad range of structural, electronic, magnetic properties and potential device applications in sensors and spintronics. There is not only the technological importance but also the need to understand the fundamental mechanisms of the unusual magnetic and transport properties that drive enormous attention. Manganites combined with other perovskite oxides are gaining interest due to novel properties especially at the interface, such as interfacial ferromagnetism, exchange bias, interfacial conductivity. Doped manganites exhibit diverse electrical properties as compared to the parent compounds. For instance, hole doped La0.7Sr0.3MnO3 is a ferromagnetic metal, whereas LaMnO3 is an antiferromagnetic insulator. Since manganites are strongly correlated systems, heterojunctions composed of manganites and other perovskite oxides are sunject to complex coupling of the spin, orbit, charge, and lattice degrees of freedom and exhibit unique electronic, magnetic, and transport properties. Electronic reconstructions, O defects, doping, intersite disorder, magnetic proximity, magnetic exchange, and polar catastrophe are some effects to explain these interfacial phenomena. In our work we use first-principles calculations to study the structural, electronic, and magnetic properties of manganite based superlattices. Firstly, we investigate the electronic

  7. Hydration effects on the electronic properties of eumelanin building blocks

    International Nuclear Information System (INIS)

    Assis Oliveira, Leonardo Bruno; Fonseca, Tertius L.; Costa Cabral, Benedito J.; Coutinho, Kaline; Canuto, Sylvio

    2016-01-01

    Theoretical results for the electronic properties of eumelanin building blocks in the gas phase and water are presented. The building blocks presently investigated include the monomeric species DHI (5,6-dihydroxyindole) or hydroquinone (HQ), DHICA (5,6-dihydroxyindole-2-carboxylic acid), indolequinone (IQ), quinone methide (MQ), two covalently bonded dimers [HM ≡ HQ + MQ and IM ≡ IQ + MQ], and two tetramers [HMIM ≡ HQ + IM, IMIM ≡ IM + IM]. The electronic properties in water were determined by carrying out sequential Monte Carlo/time dependent density functional theory calculations. The results illustrate the role played by hydrogen bonding and electrostatic interactions in the electronic properties of eumelanin building blocks in a polar environment. In water, the dipole moments of monomeric species are significantly increased ([54–79]%) relative to their gas phase values. Recently, it has been proposed that the observed enhancement of the higher-energy absorption intensity in eumelanin can be explained by excitonic coupling among eumelanin protomolecules [C.-T. Chen et al., Nat. Commun. 5, 3859 (2014)]. Here, we are providing evidence that for DHICA, IQ, and HMIM, the electronic absorption toward the higher-energy end of the spectrum ([180–220] nm) is enhanced by long-range Coulombic interactions with the water environment. It was verified that by superposing the absorption spectra of different eumelanin building blocks corresponding to the monomers, dimers, and tetramers in liquid water, the behaviour of the experimental spectrum, which is characterised by a nearly monotonic decay from the ultraviolet to the infrared, is qualitatively reproduced. This result is in keeping with a “chemical disorder model,” where the broadband absorption of eumelanin pigments is determined by the superposition of the spectra associated with the monomeric and oligomeric building blocks.

  8. Hydration effects on the electronic properties of eumelanin building blocks

    Energy Technology Data Exchange (ETDEWEB)

    Assis Oliveira, Leonardo Bruno [Instituto de Física da Universidade Federal de Goiás, 74690-900 Goiânia, GO (Brazil); Departamento de Física - CEPAE, Universidade Federal de Goiás, 74690-900 Goiânia, GO (Brazil); Escola de Ciências Exatas e da Computação, Pontifícia Universidade Católica de Goiás, 74605-010 Goiânia, GO (Brazil); Fonseca, Tertius L. [Instituto de Física da Universidade Federal de Goiás, 74690-900 Goiânia, GO (Brazil); Costa Cabral, Benedito J., E-mail: ben@cii.fc.ul.pt [Grupo de Física Matemática da Universidade de Lisboa and Departamento de Química e Bioquímica, Faculdade de Ciências, Universidade de Lisboa, 1749-016 Lisboa (Portugal); Coutinho, Kaline; Canuto, Sylvio [Instituto de Física da Universidade de São Paulo, CP 66318, 05314-970 São Paulo, SP (Brazil)

    2016-08-28

    Theoretical results for the electronic properties of eumelanin building blocks in the gas phase and water are presented. The building blocks presently investigated include the monomeric species DHI (5,6-dihydroxyindole) or hydroquinone (HQ), DHICA (5,6-dihydroxyindole-2-carboxylic acid), indolequinone (IQ), quinone methide (MQ), two covalently bonded dimers [HM ≡ HQ + MQ and IM ≡ IQ + MQ], and two tetramers [HMIM ≡ HQ + IM, IMIM ≡ IM + IM]. The electronic properties in water were determined by carrying out sequential Monte Carlo/time dependent density functional theory calculations. The results illustrate the role played by hydrogen bonding and electrostatic interactions in the electronic properties of eumelanin building blocks in a polar environment. In water, the dipole moments of monomeric species are significantly increased ([54–79]%) relative to their gas phase values. Recently, it has been proposed that the observed enhancement of the higher-energy absorption intensity in eumelanin can be explained by excitonic coupling among eumelanin protomolecules [C.-T. Chen et al., Nat. Commun. 5, 3859 (2014)]. Here, we are providing evidence that for DHICA, IQ, and HMIM, the electronic absorption toward the higher-energy end of the spectrum ([180–220] nm) is enhanced by long-range Coulombic interactions with the water environment. It was verified that by superposing the absorption spectra of different eumelanin building blocks corresponding to the monomers, dimers, and tetramers in liquid water, the behaviour of the experimental spectrum, which is characterised by a nearly monotonic decay from the ultraviolet to the infrared, is qualitatively reproduced. This result is in keeping with a “chemical disorder model,” where the broadband absorption of eumelanin pigments is determined by the superposition of the spectra associated with the monomeric and oligomeric building blocks.

  9. Estimation of hydraulic properties and development of a layered conceptual model for the Snake River plain aquifer at the Idaho National Engineering Laboratory, Idaho

    International Nuclear Information System (INIS)

    Frederick, D.B.; Johnson, G.S.

    1996-02-01

    The Idaho INEL Oversight Program, in association with the University of Idaho, Idaho Geological Survey, Boise State University, and Idaho State University, developed a research program to determine the hydraulic properties of the Snake River Plain aquifer and characterize the vertical distribution of contaminants. A straddle-packer was deployed in four observation wells near the Idaho Chemical Processing Plant at the Idaho National Engineering Laboratory. Pressure transducers mounted in the straddle-packer assembly were used to monitor the response of the Snake River Plain aquifer to pumping at the ICPP production wells, located 2600 to 4200 feet from the observation wells. The time-drawdown data from these tests were used to evaluate various conceptual models of the aquifer. Aquifer properties were estimated by matching time-drawdown data to type curves for partially penetrating wells in an unconfined aquifer. This approach assumes a homogeneous and isotropic aquifer. The hydraulic properties of the aquifer obtained from the type curve analyses were: (1) Storativity = 3 x 10 -5 , (2) Specific Yield = 0.01, (3) Transmissivity = 740 ft 2 /min, (4) Anisotropy (Kv:Kh)= 1:360

  10. Correlation properties of surface and percolation transfer of electrons

    International Nuclear Information System (INIS)

    Bakunin, O.G.

    2002-01-01

    In this work was received equation, connecting correlatively properties of surface with electrons distribution function. Usually for equilibrium is necessary a large number of collisions. Collisions are 'destroying' correlations. In case rare collisions large importance have correlations and 'memory' effects. Non-Markov's character of emitting particles by surface lead to strongly nonequilibrium condition of 'gas'. Here kinetic equation of diffusive form does not apply. Classical kinetic equation are described only conditions near to equilibrium. This work offers to use ideas anomal diffusion in phase-space. The correlation properties of surface describe by correlations of velocities of emitting electrons: B(t). We offer to use functional equation for probability collision instead of kinetic equation: ∫ 0 ν 0 W noncoll F(ν) dv = 1 - B(t). This functional allow to consider 'memory' effects. It is important for consideration of electrons and clusters near surfaces. Distribution function become direct connected with correlations. In classical Kubo-Mory theory of transfer is necessary to get nondivergences integral: D ∝ ∫ 0 ∞ B(t). In considering case we can use even 'power function'. It was used 'slow' correlation function as Kohlraush in calculations. The information about kinetics and correlations properties are containing in one functional equation. It was received solution of this equation in form Levy function: F(ν) ∝ 1/ν α exp(-1/ν). The solution of this form can not be get with help asymptotic methods of kinetic theory. Asymptotics of solution have scale-invariant character F(V) ∝ 1/V α . This indicate on fractal properties phase-space. (author)

  11. Quasiparticle properties of a coupled quantum-wire electron-phonon system

    DEFF Research Database (Denmark)

    Hwang, E. H.; Hu, Ben Yu-Kuang; Sarma, S. Das

    1996-01-01

    We study leading-order many-body effects of longitudinal-optical phonons on electronic properties of one-dimensional quantum-wire systems. We calculate the quasiparticle properties of a weakly polar one-dimensional electron gas in the presence of both electron-phonon and electron-electron interac......We study leading-order many-body effects of longitudinal-optical phonons on electronic properties of one-dimensional quantum-wire systems. We calculate the quasiparticle properties of a weakly polar one-dimensional electron gas in the presence of both electron-phonon and electron......-electron interactions, The leading-order dynamical screening approximation (GW approximation) is used to obtain the electron self-energy, the quasiparticle spectral function, and the quasiparticle damping rate in our calculation by treating electrons and phonons on an equal footing. Our theory includes effects (within...... theoretical results for quasiparticle properties....

  12. Local Electronic And Dielectric Properties at Nanosized Interfaces

    Energy Technology Data Exchange (ETDEWEB)

    Bonnell, Dawn A. [Univ. of Pennsylvania, Philadelphia, PA (United States)

    2015-02-23

    Final Report to the Department of Energy for period 6/1/2000 to 11/30/2014 for Grant # DE-FG02-00ER45813-A000 to the University of Pennsylvania Local Electronic And Dielectric Properties at Nanosized Interfaces PI: Dawn Bonnell The behavior of grain boundaries and interfaces has been a focus of fundamental research for decades because variations of structure and composition at interfaces dictate mechanical, electrical, optical and dielectric properties in solids. Similarly, the consequence of atomic and electronic structures of surfaces to chemical and physical interactions are critical due to their implications to catalysis and device fabrication. Increasing fundamental understanding of surfaces and interfaces has materially advanced technologies that directly bear on energy considerations. Currently, exciting developments in materials processing are enabling creative new electrical, optical and chemical device configurations. Controlled synthesis of nanoparticles, semiconducting nanowires and nanorods, optical quantum dots, etc. along with a range of strategies for assembling and patterning nanostructures portend the viability of new devices that have the potential to significantly impact the energy landscape. As devices become smaller the impact of interfaces and surfaces grows geometrically. As with other nanoscale phenomena, small interfaces do not exhibit the same properties as do large interfaces. The size dependence of interface properties had not been explored and understanding at the most fundamental level is necessary to the advancement of nanostructured devices. An equally important factor in the behavior of interfaces in devices is the ability to examine the interfaces under realistic conditions. For example, interfaces and boundaries dictate the behavior of oxide fuel cells which operate at extremely high temperatures in dynamic high pressure chemical environments. These conditions preclude the characterization of local properties during fuel cell

  13. Beech (Fagus sylvatica L.) branches show acclimation of xylem anatomy and hydraulic properties to increased light after thinning

    OpenAIRE

    Lemoine, D.; Jacquemin, S.; Granier, A.

    2002-01-01

    International audience; Hydraulic acclimation of Fagus sylvatica L. was analysed in response to forest thinning. Several months after thinning, leaf and xylem water potential and stomatal conductance of thinned branches were compared to sun-exposed and shade branches. We characterised vulnerability to cavitation for branches taken from these three treatments. We compared effect of thinning on xylem anatomy (mean vessel diameter, vessel density). Thinned branches exhibited higher stomatal cond...

  14. Design of materials configurations for enhanced phononic and electronic properties

    Science.gov (United States)

    Daraio, Chiara

    The discovery of novel nonlinear dynamic and electronic phenomena is presented for the specific cases of granular materials and carbon nanotubes. This research was conducted for designing and constructing optimized macro-, micro- and nano-scale structural configurations of materials, and for studying their phononic and electronic behavior. Variation of composite arrangements of granular elements with different elastic properties in a linear chain-of-sphere, Y-junction or 3-D configurations led to a variety of novel phononic phenomena and interesting physical properties, which can be potentially useful for security, communications, mechanical and biomedical engineering applications. Mechanical and electronic properties of carbon nanotubes with different atomic arrangements and microstructures were also investigated. Electronic properties of Y-junction configured carbon nanotubes exhibit an exciting transistor switch behavior which is not seen in linear configuration nanotubes. Strongly nonlinear materials were designed and fabricated using novel and innovative concepts. Due to their unique strongly nonlinear and anisotropic nature, novel wave phenomena have been discovered. Specifically, violations of Snell's law were detected and a new mechanism of wave interaction with interfaces between NTPCs (Nonlinear Tunable Phononic Crystals) was established. Polymer-based systems were tested for the first time, and the tunability of the solitary waves speed was demonstrated. New materials with transformed signal propagation speed in the manageable range of 10-100 m/s and signal amplitude typical for audible speech have been developed. The enhancing of the mitigation of solitary and shock waves in 1-D chains were demonstrated and a new protective medium was designed for practical applications. 1-D, 2-D and 3-D strongly nonlinear system have been investigated providing a broad impact on the whole area of strongly nonlinear wave dynamics and creating experimental basis for new

  15. Short-term effects of light quality on leaf gas exchange and hydraulic properties of silver birch (Betula pendula).

    Science.gov (United States)

    Niglas, Aigar; Papp, Kaisa; Sekiewicz, Maciej; Sellin, Arne

    2017-09-01

    Leaves have to acclimatize to heterogeneous radiation fields inside forest canopies in order to efficiently exploit diverse light conditions. Short-term effects of light quality on photosynthetic gas exchange, leaf water use and hydraulic traits were studied on Betula pendula Roth shoots cut from upper and lower thirds of the canopy of 39- to 35-year-old trees growing in natural forest stand, and illuminated with white, red or blue light in the laboratory. Photosynthetic machinery of the leaves developed in different spectral conditions acclimated differently with respect to incident light spectrum: the stimulating effect of complete visible spectrum (white light) on net photosynthesis is more pronounced in upper-canopy layers. Upper-canopy leaves exhibit less water saving behaviour, which may be beneficial for the fast-growing pioneer species on a daily basis. Lower-canopy leaves have lower stomatal conductance resulting in more efficient water use. Spectral gradients existing within natural forest stands represent signals for the fine-tuning of stomatal conductance and tree water relations to afford lavish water use in sun foliage and enhance leaf water-use efficiency in shade foliage sustaining greater hydraulic limitations. Higher sensitivity of hydraulic conductance of shade leaves to blue light probably contributes to the efficient use of short duration sunflecks by lower-canopy leaves. © The Author 2017. Published by Oxford University Press. All rights reserved. For Permissions, please email: journals.permissions@oup.com.

  16. Electronic structure and physicochemical properties of selected penicillins

    Science.gov (United States)

    Soriano-Correa, Catalina; Ruiz, Juan F. Sánchez; Raya, A.; Esquivel, Rodolfo O.

    Traditionally, penicillins have been used as antibacterial agents due to their characteristics and widespread applications with few collateral effects, which have motivated several theoretical and experimental studies. Despite the latter, their mechanism of biological action has not been completely elucidated. We present a theoretical study at the Hartree-Fock and density functional theory (DFT) levels of theory of a selected group of penicillins such as the penicillin-G, amoxicillin, ampicillin, dicloxacillin, and carbenicillin molecules, to systematically determine the electron structure of full ?-lactam antibiotics. Our results allow us to analyze the electronic properties of the pharmacophore group, the aminoacyl side-chain, and the influence of the substituents (R and X) attached to the aminoacyl side-chain at 6? (in contrast with previous studies focused at the 3? substituents), and to corroborate the results of previous studies performed at the semiempirical level, solely on the ?-lactam ring of penicillins. Besides, several density descriptors are determined with the purpose of analyzing their link to the antibacterial activity of these penicillin compounds. Our results for the atomic charges (fitted to the electrostatic potential), the bond orders, and several global reactivity descriptors, such as the dipole moments, ionization potential, hardness, and the electrophilicity index, led us to characterize: the active sites, the effect of the electron-attracting substituent properties and their physicochemical features, which altogether, might be important to understand the biological activity of these type of molecules.

  17. Selection of soil hydraulic properties in a land surface model using remotely-sensed soil moisture and surface temperature

    Science.gov (United States)

    Shellito, P. J.; Small, E. E.; Gutmann, E. D.

    2013-12-01

    Synoptic-scale weather is heavily influenced by latent and sensible heating from the land surface. The partitioning of available energy between these two fluxes as well as the distribution of moisture throughout the soil column is controlled by a unique set of soil hydraulic properties (SHPs) at every location. Weather prediction systems, which use coupled land surface and atmospheric models in their forecasts, must therefore be parameterized with estimates of SHPs. Currently, land surface models (LSMs) obtain SHP values by assuming a correlation exists between SHPs and the soil type, which the USDA maps in 12 classes. This method is spurious because texture is only one control of many that affects SHPs. Alternatively, SHPs can be obtained by calibrating them within the framework of an LSM. Because remotely-sensed data have the potential for continent-wide application, there is a critical need to understand their specific role in calibration efforts and the extent to which such calibrated SHPs can improve model simulations. This study focuses on SHP calibration with soil moisture content (SMC) and land surface temperature (Ts), data that are available from the SMOS and MODIS satellite missions, respectively. The scientific goals of this study are: (1) What is the model performance tradeoff between weighting SMC and Ts differently during the calibration process? (2) What can the tradeoff between calibration using in-situ and remotely-sensed SMC reveal about SHP scaling? (3) How are these relationships influenced by climatic regime and vegetation type? (4) To what extent can calibrated SHPs improve model performance over that of texture-based SHPs? Model calibrations are carried out within the framework of the Noah LSM using the Shuffled Complex Evolution Metropolis (SCEM-UA) algorithm in five different climatic regimes. At each site, a five-dimensional parameter space of SHPs is searched to find the location that minimizes the difference between observed and

  18. Electronic and optical properties of diamond/organic semiconductor heterostructures

    Energy Technology Data Exchange (ETDEWEB)

    Gajewski, Wojciech; Garrido, Jose; Niedermeier, Martin; Stutzmann, Martin [Walter Schottky Institute, TU Muenchen, Am Coulombwall 3, 85748 Garching (Germany); Williams, Oliver; Haenen, Ken [Institute for Materials Research, University of Hasselt, Wetenschapspark 1, BE-3590 Diepenbeek (Belgium)

    2007-07-01

    Different diamond substrates (single crystalline: SCD, poly-crystalline: PCD and nano-crystalline: NCD) were used to investigate the electronic and optical properties of the diamond/organic semiconductor heterostructures. Layers of a poly[ethynyl-(2-decyloxy-5methoxy)benzene] - PEB, pentacene and 4-nitro-biphenyl-4-diazonium cations - Ph-Ph-NO{sub 2} were prepared by spin coating, thermal evaporation and grafting, respectively. The measurements of the electronic transport along the organic layer were performed using a Hg probe as well as Hall effect measurements in the temperature range 70-400 K. The I-V characteristics of the B-doped diamond/organic semiconductor heterostructures were measured at room temperature by means of the Hg probe. Undoped IIa and undoped PCD films were used for a study of the optical and optoelectronic properties of prepared heterostructures. The influence of the organic layer homogeneity and layer thickness on the optical properties will be discussed. Furthermore, preliminary data on perpendicular and parallel transport in the heterostructures layer will be reported.

  19. Electronic and thermodynamic properties of transition metal elements and compounds

    International Nuclear Information System (INIS)

    Haeglund, J.

    1993-01-01

    This thesis focuses on the use of band-structure calculations for studying thermodynamic properties of solids. We discuss 3d-, 4d- and 5d-transition metal carbides and nitrides. Through a detailed comparison between theoretical and experimental results, we draw conclusions on the character of the atomic bonds in these materials. We show how electronic structure calculations can be used to give accurate predictions for bonding energies. Part of the thesis is devoted to the application of the generalized gradient approximation in electronic structure calculations on transition metals. For structures with vibrational disorder, we present a method for calculating averaged phonon frequencies without using empirical information. For magnetic excitations, we show how a combined use of theoretical results and experimental data can yield information on magnetic fluctuations at high temperatures. The main results in the thesis are: Apart for an almost constant shift, theoretically calculated bonding energies for transition metal carbides and nitrides agree with experimental data or with values from analysis of thermochemical information. The electronic spectrum of transition metal carbides and nitrides can be separated into bonding, antibonding and nonbonding electronic states. The lowest enthalpy of formation for substoichiometric vanadium carbide VC 1-X at zero temperature and pressure occurs for a structure containing vacancies (x not equal to 0). The generalized gradient approximation improves theoretical calculated cohesive energies for 3d-transition metals. Magnetic phase transitions are sensitive to the description of exchange-correlation effects in electronic structure calculations. Trends in Debye temperatures can be successfully analysed in electronic structure calculations on disordered lattices. For the elements, there is a clear dependence on the crystal structure (e.g., bcc, fcc or hcp). Chromium has fluctuating local magnetic moments at temperatures well above

  20. Electronic and magnetic properties of intermetallic compound YCo5

    International Nuclear Information System (INIS)

    Zhang, G.W.; Feng, Y.P.; Ong, C.K.

    1998-01-01

    The electronic and magnetic properties of the intermetallic compound YCo 5 have been studied using density functional theory with the local spin density approximation. The calculated magnetic moments of Y, Co(2c) and Co(3g) are -0.61, 1.68 and 2.04 μ B , respectively, and the total magnetic moment is about 8.87 μ B per formula unit, which agrees well with the previous experimental results. The dependence of the magnetic moments of Y, Co(2c) and Co(3g) on the lattice spacing has been investigated. The local electronic structure of Y, Co(2c) and Co(3g) are discussed in detail. The local magnetic susceptibilities of Y, Co(2c) and Co(3g) are calculated. Based on our results, YCo 5 was found to have characteristic of a strong ferromagnet. (orig.)

  1. Electronic, phononic, and thermoelectric properties of graphyne sheets

    International Nuclear Information System (INIS)

    Sevinçli, Hâldun; Sevik, Cem

    2014-01-01

    Electron, phonon, and thermoelectric transport properties of α-, β-, γ-, and 6,6,12-graphyne sheets are compared and contrasted with those of graphene. α-, β-, and 6,6,12-graphynes, with direction dependent Dirac dispersions, have higher electronic transmittance than graphene. γ-graphyne also attains better electrical conduction than graphene except at its band gap. Vibrationally, graphene conducts heat much more efficiently than graphynes, a behavior beyond an atomic density differences explanation. Seebeck coefficients of the considered Dirac materials are similar but thermoelectric power factors decrease with increasing effective speeds of light. γ-graphyne yields the highest thermoelectric efficiency with a thermoelectric figure of merit as high as ZT = 0.45, almost an order of magnitude higher than that of graphene

  2. Electronic properties of Be and Al by Compton scattering technique

    International Nuclear Information System (INIS)

    Aguiar, J.C.; Di Rocco, H.O.

    2011-01-01

    In this work, electronic properties of beryllium and aluminum are examined by using Compton scattering technique. The method is based on the irradiation of samples using a beam narrow of mono- energetic photons of 59.54 keV product of radioactive decay of Am -241 . Scattered radiation is collected by a high resolution semiconductor detector positioned at an angle of 90°. The measured spectrum is commonly called Compton profile and contains useful information about the electronic structure of the material. The experimental results are compared with theoretical calculations such as density functional theory showing a good agreement. However, these results show some discrepancies with many libraries used in codes such as Monte Carlo simulation. Since these libraries are based on the values tabulated by Biggs, Mendelsohn and Mann 1975 thus overestimating the scattered radiation on the material. (authors) [es

  3. Electronic structure and optical properties of metal doped tetraphenylporphyrins

    Science.gov (United States)

    Shah, Esha V.; Roy, Debesh R.

    2018-05-01

    A density functional scrutiny on the structure, electronic and optical properties of metal doped tetraphenylporphyrins MTPP (M=Fe, Co, Ni) is performed. The structural stability of the molecules is evaluated based on the electronic parameters like HOMO-LUMO gap (HLG), chemical hardness (η) and binding energy of the central metal atom to the molecular frame etc. The computed UltraViolet-Visible (UV-Vis) optical absorption spectra for all the compounds are also compared. The molecular structures reported are the lowest energy configurations. The entire calculations are carried out with a widely reliable functional, viz. B3LYP with a popular basis set which includes a scaler relativistic effect, viz. LANL2DZ.

  4. Electronic transport properties of carbon nanotube metal-semiconductor-metal

    Directory of Open Access Journals (Sweden)

    F Khoeini

    2008-07-01

    Full Text Available  In this work, we study electronic transport properties of a quasi-one dimensional pure semi-conducting Zigzag Carbon Nanotube (CNT attached to semi-infinite clean metallic Zigzag CNT leads, taking into account the influence of topological defect in junctions. This structure may behave like a field effect transistor. The calculations are based on the tight-binding model and Green’s function method, in which the local density of states(LDOS in the metallic section to semi-conducting section, and muli-channel conductance of the system are calculated in the coherent and linear response regime, numerically. Also we have introduced a circuit model for the system and investigated its current. The theoretical results obtained, can be a base, for developments in designing nano-electronic devices.

  5. Electronic properties of polycrystalline graphene under large local strain

    International Nuclear Information System (INIS)

    He, Xin; Tang, Ning; Duan, Junxi; Mei, Fuhong; Meng, Hu; Lu, Fangchao; Xu, Fujun; Yang, Xuelin; Gao, Li; Wang, Xinqiang; Shen, Bo; Ge, Weikun

    2014-01-01

    To explore the transport properties of polycrystalline graphene under large tensile strain, a strain device has been fabricated using piezocrystal to load local strain onto graphene, up to 22.5%. Ionic liquid gate whose capability of tuning carrier density being much higher than that of a solid gate is used to survey the transfer characteristics of the deformed graphene. The conductance of the Dirac point and field effect mobility of electrons and holes is found to decrease with increasing strain, which is attributed to the scattering of the graphene grain boundaries, the strain induced change of band structure, and defects. However, the transport gap is still not opened. Our study is helpful to evaluate the application of graphene in stretchable electronics.

  6. Electronic, magnetic, and magnetocrystalline anisotropy properties of light lanthanides

    Science.gov (United States)

    Hackett, Timothy A.; Baldwin, D. J.; Paudyal, D.

    2017-11-01

    Theoretical understanding of interactions between localized and mobile electrons and the crystal environment in light lanthanides is important because of their key role in much needed magnetic anisotropy in permanent magnet materials that have a great impact in automobile and wind turbine applications. We report electronic, magnetic, and magnetocrystalline properties of these basic light lanthanide elements studied from advanced density functional theory (DFT) calculations. We find that the inclusion of onsite 4f electron correlation and spin orbit coupling within the full-potential band structure is needed to understand the unique magnetocrystalline properties of these light lanthanides. The onsite electron correlation, spin orbit coupling, and full potential for the asphericity of charge densities must be taken into account for the proper treatment of 4f states. We find the variation of total energy as a function of lattice constants that indicate multiple structural phases in Ce contrasting to a single stable structure obtained in other light lanthanides. The 4f orbital magnetic moments are partially quenched as a result of crystalline electric field splitting that leads to magnetocrystalline anisotropy. The charge density plots have similar asphericity and environment in Pr and Nd indicating similar magnetic anisotropy. However, Ce and Sm show completely different asphericity and environment as both orbital moments are significantly quenched. In addition, the Fermi surface structures exemplified in Nd indicate structural stability and unravel a cause of anisotropy. The calculated magnetocrystalline anisotropy energy (MAE) reveals competing c-axis and in-plane anisotropies, and also predicts possibilities of unusual structural deformations in light lanthanides. The uniaxial magnetic anisotropy is obtained in the double hexagonal closed pack structures of the most of the light lanthanides, however, the anisotropy is reduced or turned to planar in the low symmetry

  7. Study of optical and electronic properties of nickel from reflection electron energy loss spectra

    Science.gov (United States)

    Xu, H.; Yang, L. H.; Da, B.; Tóth, J.; Tőkési, K.; Ding, Z. J.

    2017-09-01

    We use the classical Monte Carlo transport model of electrons moving near the surface and inside solids to reproduce the measured reflection electron energy-loss spectroscopy (REELS) spectra. With the combination of the classical transport model and the Markov chain Monte Carlo (MCMC) sampling of oscillator parameters the so-called reverse Monte Carlo (RMC) method was developed, and used to obtain optical constants of Ni in this work. A systematic study of the electronic and optical properties of Ni has been performed in an energy loss range of 0-200 eV from the measured REELS spectra at primary energies of 1000 eV, 2000 eV and 3000 eV. The reliability of our method was tested by comparing our results with the previous data. Moreover, the accuracy of our optical data has been confirmed by applying oscillator strength-sum rule and perfect-screening-sum rule.

  8. Physical-hydraulic properties of a sandy loam typic paleudalf soil under organic cultivation of 'montenegrina' mandarin (Citrus deliciosa Tenore¹

    Directory of Open Access Journals (Sweden)

    Caroline Valverde dos Santos

    2014-12-01

    Full Text Available Citrus plants are the most important fruit species in the world, with emphasis to oranges, mandarins and lemons. In Rio Grande do Sul, Brazil, most fruit production is found on small properties under organic cultivation. Soil compaction is one of the factors limiting production and due to the fixed row placement of this crop, compaction can arise in various manners in the interrows of the orchard. The aim of this study was to evaluate soil physical properties and water infiltration capacity in response to interrow management in an orchard of mandarin (Citrus deliciosa Tenore 'Montenegrina' under organic cultivation. Interrow management was performed through harrowing, logs in em "V", mowing, and cutting/knocking down plants with a knife roller. Soil physical properties were evaluated in the wheel tracks of the tractor (WT, between the wheel tracks (BWT, and in the area under the line projection of the canopy (CLP, with undisturbed soil samples collected in the 0.00-0.15, 0.15-0.30, 0.30-0.45, and 0.45-0.60 m layers, with four replicates. The soil water infiltration test was performed using the concentric cylinder method, with a maximum time of 90 min for each test. In general, soil analysis showed a variation in the physical-hydraulic properties of the Argissolo Vermelho-Amarelo distrófico arênico (sandy loam Typic Paleudalf in the three sampling sites in all layers, regardless of the management procedure in the interrows. Machinery traffic leads to heterogeneity in the soil physical-hydraulic properties in the interrows of the orchard. Soil porosity and bulk density are affected especially in the wheel tracks of the tractor (WT, which causes a reduction in the constant rate of infiltration and in the accumulated infiltration of water in this sampling site. The use of the disk harrow and mower leads to greater harmful effects on the soil, which can interfere with mandarin production.

  9. Electronic properties of pristine and modified single-walled carbon nanotubes

    International Nuclear Information System (INIS)

    Kharlamova, M V

    2013-01-01

    The current status of research on the electronic properties of filled single-walled carbon nanotubes (SWCNTs) is reviewed. SWCNT atomic structure and electronic properties are described, and their correlation is discussed. Methods for modifying the electronic properties of SWCNTs are considered. SWCNT filling materials are systematized. Experimental and theoretical data on the electronic properties of filled SWCNTs are analyzed. Possible application areas for filled SWCNTs are explored. (reviews of topical problems)

  10. Powertrains 2011. Electronics, mechanics and hydraulics in application; Antriebssysteme 2011. Elektrik, Mechanik und Hydraulik in der Anwendung

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    2011-07-01

    Within the VDI/VDE conference at 13th-14th September, 2011 in Stuttgart (Federal Republic of Germany) the following lectures and posters were presented: (1) Sieve printed windings of rotating small drives and their evaluation (P. Braeuer); (2) Variable impedance induction motor - Measurement results of a variable impedance induction motor prototype (H. Gholizad); (3) Utilization of a multiphase winding in a star-polygon hybrid circuit for squirrel asynchronous motors for increasing the energy efficiency - generation of flooding waves of a 6-phase machine with a 3-phase connection (T. Knopik); (4) Virtual development of electric moors - Design of an asynchronous motor for propel drives by means of a numeric optimization and software automation (V. Reinhardt); (5) A hybrid microproduction system driven by piezoactuators and linear motors (C. Hast); (6) MRF actors with minimized standby losses (D. Gueth); (7) Experimental determination of rotor losses in a homopolar magnetic bearing (E. Fleischer); (8) Vibrational condition monitoring of coiler heads of electric large machines (C. Kreischer); (9) Recovery potentials in the electric propulsion technology - ''What is left usable from the energy'' (M. Schumacher); (10) Overall energy balance in the powertrain - The application decides - Energetic analysis of a powertrain (A. Thomas); (11) Optimal dimensioning of an actuator in the mechatronic overall system electric motor - gear - load (M. Lindner); (12) Electric and hydraulic hybrid actuator: Competing and complementary systems (K. Dehnert); (13) Intelligent pump drives - Simulation, condition monitoring, fault diagnosis and energy efficiency (S. Kleinmann); (14) Parametric models of the permanent magnet-synchronous machine (PMSM) under consideration of the impacts of magnetic saturation (F. Mink); (15) Electromagnetic, structure dynamic acoustic FEM simulation of an asynchronous motor for the evaluation of noise emission (J. Wibbeler); (16

  11. Investigation of new superhard carbon allotropes with promising electronic properties

    Energy Technology Data Exchange (ETDEWEB)

    Kvashnina, Yulia A.; Kvashnin, Alexander G. [Technological Institute for Superhard and Novel Carbon Materials, 7a Centralnaya Street, Troitsk, Moscow 142190 (Russian Federation); Moscow Institute of Physics and Technology, 9 Institutsky Lane, 141700 Dolgoprudny (Russian Federation); Sorokin, Pavel B., E-mail: psorokin@iph.krasn.ru [Technological Institute for Superhard and Novel Carbon Materials, 7a Centralnaya Street, Troitsk, Moscow 142190 (Russian Federation); Moscow Institute of Physics and Technology, 9 Institutsky Lane, 141700 Dolgoprudny (Russian Federation); Emanuel Institute of Biochemical Physics of RAS, 4 Kosigina St., Moscow 119334 (Russian Federation)

    2013-11-14

    During the systematic search for a new superhard carbon allotrope, we predicted three structures with promising physical properties. Our electronic structure calculations show that these materials have a semiconducting band gap and a high carrier mobility comparable with diamond. The simulated x-ray diffraction patterns of the proposed materials are in a good agreement with the experimental X-ray spectra. Evaluated phase transition pressures from graphite to the new proposed carbon phases are smaller than 25 GPa and close to the experimental values.

  12. Structural, electronic and optical properties of carbon nitride

    Energy Technology Data Exchange (ETDEWEB)

    Cohen, M L [California Univ., Berkeley (United States). Dept. of Physics

    1996-05-01

    Carbon nitride was proposed as a superhard material and a structural prototype, {beta}-C{sub 3}N{sub 4}, was examined using several theoretical models. Some reports claiming experimental verifications have been made recently. The current status of the theory and experiment is reviewed, and a detailed discussion is presented of calculations of the electronic and optical properties of this material. These calculations predict that {beta}-C{sub 3}N{sub 4} will have a minimum gap which is indirect at 6.4{+-}0.5 eV. A discussion of the possibility of carbon nitride nanotubes is also presented. (orig.)

  13. Electronic properties of single-walled chiral carbon nanotube

    International Nuclear Information System (INIS)

    Mensah, S.Y.; Allotey, F.K.A.; Mensah, N.G.; Nkrumah, G.

    2001-09-01

    The electronic properties of single-walled chiral carbon nanotube has been studied using the model based on infinitely long carbon atoms wrapped along a base helix of single-walled carbon nanotubes(SWNTs). The problem is solved semiclassically, and current density J, resistivity ρ, thermopower α z , and electrical power factor P calculated. It is noted that the current density j displays negative differential conductivity, whiles the resistivity ρ increases with increasing electrical field. ρ also slowly increases at low temperatures and then gradually increases with increasing temperature. The thermopower α z shows interesting behaviour. Very intriguing is the electrical power factor which shows relatively large values. (author)

  14. Quantum oscillations and the electronic transport properties in multichain nanorings

    International Nuclear Information System (INIS)

    Racolta, D.

    2009-01-01

    We consider a system of multichain nanorings in static electric and magnetic field. The magnetic field induces characteristic phase changes. These phase shifts produce interference phenomena in the case of nanosystems for which the coherence length is larger than the sample dimension. We obtain energy solutions that are dependent on the number of sites N α characterizing a chain, of phase on the phase φ α and on the applied voltage. We found rich oscillations structures exhibited by the magnetic flux and we established the transmission probability. This proceeds by applying Landauer conductance formulae which opens the way to study electronic transport properties. (authors)

  15. Stability and electronic properties of silicene on WSe2

    KAUST Repository

    Zhu, Jiajie

    2015-03-17

    Many semiconducting substrates, such as GaS and MgBr2, have been explored for silicene. However, large lattice mismatches, complicated control of terminal layers and small band gaps are critical limiting factors. First-principles results on the stability and electronic properties of silicene on WSe2 show that the energy barriers for lateral translation between the two subsystems are very small due to weak van der Waals interactions. For the same reason, the Dirac physics of silicene is preserved. It turns out that the induced band gap is sufficient to withstand thermal fluctuations. This journal is © The Royal Society of Chemistry 2015.

  16. Quantum theory of the optical and electronic properties of semiconductors

    CERN Document Server

    Haug, Hartmut

    1990-01-01

    The current technological revolution in the development of computing devices has created a demand for a textbook on the quantum theory of the electronic and optical properties of semiconductors and semiconductor devices. This book successfully fulfills this need. Based on lectures given by the authors, it is a comprehensive introduction for researchers or graduate-level students to the subject. Certain sections can also serve as a graduate-level textbook for use in solid state physics courses or for more specialized courses. The final chapters establish a direct link to current research in sem

  17. Structure and Electronic Properties of Cerium Orthophosphate: Theory and Experiment

    Energy Technology Data Exchange (ETDEWEB)

    Adelstein, Nicole; Mun, B. Simon; Ray, Hannah; Ross Jr, Phillip; Neaton, Jeffrey; De Jonghe, Lutgard

    2010-07-27

    Structural and electronic properties of cerium orthophosphate (CePO{sub 4}) are calculated using density functional theory (DFT) with the local spin-density approximation (LSDA+U), with and without gradient corrections (GGA-(PBE)+U), and compared to X-ray diffraction and photoemission spectroscopy measurements. The density of states is found to change significantly as the Hubbard parameter U, which is applied to the Ce 4f states, is varied from 0 to 5 eV. The calculated structural properties are in good agreement with experiment and do not change significantly with U. Choosing U = 3 eV for LDSA provides the best agreement between the calculated density of states and the experimental photoemission spectra.

  18. Stability and electronic properties of low-dimensional nanostructures

    Science.gov (United States)

    Guan, Jie

    As the devices used in daily life become smaller and more concentrated, traditional three-dimensional (3D) bulk materials have reached their limit in size. Low-dimensional nanomaterials have been attracting more attention in research and getting widely applied in many industrial fields because of their atomic-level size, unique advanced properties, and varied nanostructures. In this thesis, I have studied the stability and mechanical and electronic properties of zero-dimensional (0D) structures including carbon fullerenes, nanotori, metallofullerenes and phosphorus fullerenes, one-dimensional (1D) structures including carbon nanotubes and phosphorus nanotubes, as well as two-dimensional (2D) structures including layered transition metal dichalcogenides (TMDs), phosphorene and phosphorus carbide (PC). I first briefly introduce the scientific background and the motivation of all the work in this thesis. Then the computational techniques, mainly density functional theory (DFT), are reviewed in Chapter 2. In Chapter 3, I investigate the stability and electronic structure of endohedral rare-earth metallofullerene La C60 and the trifluoromethylized La C60(CF3)n with n ≤ 5. Odd n is preferred due to the closed-shell electronic configuration or large HOMO-LUMO gap, which is also meaningful for the separation of C 60-based metallofullerenes. Mechanical and electronic properties of layered materials including TMDs and black phosphorus are studied in Chapter 4 and 5. In Chapter 4, a metallic NbSe2/semiconducting WSe2 bilayer is investigated and besides a rigid band shift associated with charge transfer, the presence of NbSe2 does not modify the electronic structure of WSe2. Structural similarity and small lattice mismatch results in the heterojunction being capable of efficiently transferring charge acrossthe interface. In Chapter 5, I investigate the dependence of stability and electronic band structure on the in-layer strain in bulk black phosphorus. In Chapters 6, 7 and

  19. Ground-water flow directions and estimation of aquifer hydraulic properties in the lower Great Miami River Buried Valley aquifer system, Hamilton Area, Ohio

    Science.gov (United States)

    Sheets, Rodney A.; Bossenbroek, Karen E.

    2005-01-01

    The Great Miami River Buried Valley Aquifer System is one of the most productive sources of potable water in the Midwest, yielding as much as 3,000 gallons per minute to wells. Many water-supply wells tapping this aquifer system are purposely placed near rivers to take advantage of induced infiltration from the rivers. The City of Hamilton's North Well Field consists of 10 wells near the Great Miami River, all completed in the lower Great Miami River Buried Valley Aquifer System. A well-drilling program and a multiple-well aquifer test were done to investigate ground-water flow directions and to estimate aquifer hydraulic properties in the lower part of the Great Miami River Buried Valley Aquifer System. Descriptions of lithology from 10 well borings indicate varying amounts and thickness of clay or till, and therefore, varying levels of potential aquifer confinement. Borings also indicate that the aquifer properties can change dramatically over relatively short distances. Grain-size analyses indicate an average bulk hydraulic conductivity value of aquifer materials of 240 feet per day; the geometric mean of hydraulic conductivity values of aquifer material was 89 feet per day. Median grain sizes of aquifer material and clay units were 1.3 millimeters and 0.1 millimeters, respectively. Water levels in the Hamilton North Well Field are affected by stream stage in the Great Miami River and barometric pressure. Bank storage in response to stream stage is evident. Results from a multiple-well aquifer test at the well field indicate, as do the lithologic descriptions, that the aquifer is semiconfined in some areas and unconfined in others. Transmissivity and storage coefficient of the semiconfined part of the aquifer were 50,000 feet squared per day and 5x10-4, respectively. The average hydraulic conductivity (450 feet per day) based on the aquifer test is reasonable for glacial outwash but is higher than calculated from grain-size analyses, implying a scale effect

  20. Electronic properties of a new structured Sin/O superlattice

    Directory of Open Access Journals (Sweden)

    S. Yu

    2016-11-01

    Full Text Available Silicon is a material which dominants the semiconductor industry and has a well-established processing technology based on it. However, silicon has an indirect-bandgap and is not efficient in light emitting. This limits its applications in optoelectronics. In this paper, we proposed a new structural model for the silicon-based superlattice, i.e., the Sin/O one. The model consists of alternating films of n-layers of Si and a monolayer of oxygen along z-direction, together with a surface cell of Si(001 (2×1 reconstruction in the x-y plane. The importance of employing such a Si(001 (2×1 reconstruction is that all the electrons at interface can be strongly bonded. Our results showed interesting electronic properties, e.g., the band folding and large band gap of bulk Si, when the thickness of the silicon layers was increased (but still thin. Our structure might also offer other interesting properties.

  1. Strain, stabilities and electronic properties of hexagonal BN bilayers

    Science.gov (United States)

    Fujimoto, Yoshitaka; Saito, Susumu

    Hexagonal boron nitride (h-BN) atomic layers have been regarded as fascinating materials both scientifically and technologically due to the sizable band gap. This sizable band-gap nature of the h-BN atomic layers would provide not only new physical properties but also novel nano- and/or opto-electronics applications. Here, we study the first-principles density-functional study that clarifies the biaxial strain effects on the energetics and the electronic properties of h-BN bilayers. We show that the band gaps of the h-BN bilayers are tunable by applying strains. Furthermore, we show that the biaxial strains can produce a transition from indirect to direct band gaps of the h-BN bilayer. We also discuss that both AA and AB stacking patterns of h-BN bilayer become feasible structures because h-BN bilayers possess two different directions in the stacking patterns. Supported by MEXT Elements Strategy Initiative to Form Core Research Center through Tokodai Institute for Element Strategy, JSPS KAKENHI Grant Numbers JP26390062 and JP25107005.

  2. Electronic and magnetic properties of MnAu nanoparticles

    Energy Technology Data Exchange (ETDEWEB)

    Masrour, R., E-mail: rachidmasrour@hotmail.com [Laboratory of Materials, Processes, Environment and Quality, Cady Ayyed University, National School of Applied Sciences, Safi 46000 (Morocco); LMPHE (URAC 12), Faculty of Science, Mohammed V-Agdal University, Rabat (Morocco); Hlil, E.K. [Institut Néel, CNRS et Université Joseph Fourier, BP 166, F-38042 Grenoble Cedex 9 (France); Hamedoun, M. [Institute of Nanomaterials and Nanotechnologies, MAScIR, Rabat (Morocco); Benyoussef, A. [LMPHE (URAC 12), Faculty of Science, Mohammed V-Agdal University, Rabat (Morocco); Institute of Nanomaterials and Nanotechnologies, MAScIR, Rabat (Morocco); Hassan II Academy of Science and Technology, Rabat (Morocco); Mounkachi, O; El moussaoui, H. [Institute of Nanomaterials and Nanotechnologies, MAScIR, Rabat (Morocco)

    2014-03-15

    Self-consistent ab initio calculations, based on DFT (Density Functional Theory) approach and using FLAPW (Full potential Linear Augmented Plane Wave) method, are performed to investigate both electronic and magnetic properties of the MnAu nanoparticles. Polarized spin is included in calculations within the framework of the antiferromagnetic. The Mn magnetic moments where considered to be along c axes. Obtained data from ab initio calculations are used as input for the high temperature series expansions (HTSEs) calculations to compute other magnetic parameters. The zero-field high temperature static susceptibility series of the magnetic moment (m) and nearest-neighbour Heisenberg and XY models on a MnAu nanoparticles is thoroughly analyzed by means of a power series coherent anomaly method (CAM) for different nanoparticles. The exchanges interactions between the magnetic atoms are obtained for MnAu nanoparticles. - Highlights: • The electronic properties of the MnAu nanoparticles are studied using the DFT and FLAPW. • Magnetic moment is computed. • The ab initio calculations are used as input for HTSEs to compute other magnetic parameters. • The exchanges interactions and blocking temperature are obtained for MnAu nanoparticles.

  3. Electronic and magnetic properties of MnAu nanoparticles

    International Nuclear Information System (INIS)

    Masrour, R.; Hlil, E.K.; Hamedoun, M.; Benyoussef, A.; Mounkachi, O; El moussaoui, H.

    2014-01-01

    Self-consistent ab initio calculations, based on DFT (Density Functional Theory) approach and using FLAPW (Full potential Linear Augmented Plane Wave) method, are performed to investigate both electronic and magnetic properties of the MnAu nanoparticles. Polarized spin is included in calculations within the framework of the antiferromagnetic. The Mn magnetic moments where considered to be along c axes. Obtained data from ab initio calculations are used as input for the high temperature series expansions (HTSEs) calculations to compute other magnetic parameters. The zero-field high temperature static susceptibility series of the magnetic moment (m) and nearest-neighbour Heisenberg and XY models on a MnAu nanoparticles is thoroughly analyzed by means of a power series coherent anomaly method (CAM) for different nanoparticles. The exchanges interactions between the magnetic atoms are obtained for MnAu nanoparticles. - Highlights: • The electronic properties of the MnAu nanoparticles are studied using the DFT and FLAPW. • Magnetic moment is computed. • The ab initio calculations are used as input for HTSEs to compute other magnetic parameters. • The exchanges interactions and blocking temperature are obtained for MnAu nanoparticles

  4. Electronic structure and magnetic properties of zigzag blue phosphorene nanoribbons

    Energy Technology Data Exchange (ETDEWEB)

    Hu, Tao; Hong, Jisang, E-mail: hongj@pknu.ac.kr [Department of Physics, Pukyong National University, Busan 608-737 (Korea, Republic of)

    2015-08-07

    We investigated the electronic structure and magnetism of zigzag blue phosphorene nanoribbons (ZBPNRs) using first principles density functional theory calculations by changing the widths of ZBPNRs from 1.5 to 5 nm. In addition, the effect of H and O passivation was explored as well. The ZBPNRs displayed intra-edge antiferromagnetic ground state with a semiconducting band gap of ∼0.35 eV; and this was insensitive to the edge structure relaxation effect. However, the edge magnetism of ZBPNRs disappeared with H-passivation. Moreover, the band gap of H-passivated ZBPNRs was greatly enhanced because the calculated band gap was ∼1.77 eV, and this was almost the same as that of two-dimensional blue phosphorene layer. For O-passivated ZBPNRs, we also found an intra-edge antiferromagnetic state. Besides, both unpassivated and O-passivated ZBPNRs preserved almost the same band gap. We predict that the electronic band structure and magnetic properties can be controlled by means of passivation. Moreover, the edge magnetism can be also modulated by the strain. Nonetheless, the intrinsic physical properties are size independent. This feature can be an advantage for device applications because it may not be necessary to precisely control the width of the nanoribbon.

  5. Mechanical properties and electronic structures of Fe-Al intermetallic

    Energy Technology Data Exchange (ETDEWEB)

    Liu, YaHui; Chong, XiaoYu; Jiang, YeHua, E-mail: jiangyehua@kmust.edu.cn; Zhou, Rong; Feng, Jing, E-mail: jingfeng@kmust.edu.cn

    2017-02-01

    Using the first-principles calculations, the elastic properties, anisotropy properties, electronic structures, Debye temperature and stability of Fe-Al (Fe{sub 3}Al, FeAl, FeAl{sub 2}, Fe{sub 2}Al{sub 5} and FeAl{sub 3}) binary compounds were calculated. The formation enthalpy and cohesive energy of these Fe-Al compounds are negative, and show they are thermodynamically stable structures. Fe{sub 2}Al{sub 5} has the lowest formation enthalpy, which shows the Fe{sub 2}Al{sub 5} is the most stable of Fe-Al binary compounds. These Fe-Al compounds display disparate anisotropy due to the calculated different shape of the 3D curved surface of the Young’s modulus and anisotropic index. Fe{sub 3}Al has the biggest bulk modulus with the value 233.2 GPa. FeAl has the biggest Yong’s modulus and shear modulus with the value 296.2 GPa and 119.8 GPa, respectively. The partial density of states, total density of states and electron density distribution maps of the binary Fe-Al binary compounds are analyzed. The bonding characteristics of these Fe-Al binary compounds are mainly combination by covalent bond and metallic bonds. Meanwhile, also exist anti-bond effect. Moreover, the Debye temperatures and sound velocity of these Fe-Al compounds are explored.

  6. Thermal equilibrium properties of an intense relativistic electron beam

    International Nuclear Information System (INIS)

    Davidson, R.C.; Uhm, H.S.

    1979-01-01

    The thermal equilibrium properties of an intense relativistic electron beam with distribution function f 0 /sub b/=Z -1 /sub b/exp[-(H-β/sub b/cP/sub z/-ω/sub b/P/sub theta/) /T] are investigated. This choice of f 0 /sub b/ allows for a mean azimuthal rotation of the beam electrons (when ω/sub b/not =0), and corresponds to an important generalization of the distribution function first analyzed by Bennett. Beam equilibrium properties, including axial velocity profile V 0 /sub z/b(r), azimuthal velocity profile V 0 /sub thetab/(r), beam temperature profile T 0 /sub b/(r), beam density profile n 0 /sub b/(r), and equilibrium self-field profiles, are calculated for a broad range of system parameters. For appropriate choice of beam rotation velocity ω/sub b/, it is found that radially confined equilibrium solutions [with n 0 /sub b/(r→infinity) =0] exist even in the absence of a partially neutralizing ion background that weakens the repulsive space-charge force. The necessary and sufficient conditions for radially confined equilibria are ω - /sub b/ + /sub b/ for 0 2 /sub b/p /ω 2 /sub b/c) (1-f-β 2 /sub b/) 2 /sub b/p/ω 2 /sub b/c) (1-f-β 2 /sub b/) <0

  7. Electronic and optical properties of Fe, Pd, and Ti studied by reflection electron energy loss spectroscopy

    International Nuclear Information System (INIS)

    Tahir, Dahlang; Kraaer, Jens; Tougaard, Sven

    2014-01-01

    We have studied the electronic and optical properties of Fe, Pd, and Ti by reflection electron energy-loss spectroscopy (REELS). REELS spectra recorded for primary energies in the range from 300 eV to 10 keV were corrected for multiple inelastically scattered electrons to determine the effective inelastic-scattering cross section. The dielectric functions and optical properties were determined by comparing the experimental inelastic-electron scattering cross section with a simulated cross section calculated within the semi-classical dielectric response model in which the only input is Im(−1/ε) by using the QUEELS-ε(k,ω)-REELS software package. The complex dielectric functions ε(k,ω), in the 0–100 eV energy range, for Fe, Pd, and Ti were determined from the derived Im(−1/ε) by Kramers-Kronig transformation and then the refractive index n and extinction coefficient k. The validity of the applied model was previously tested and found to give consistent results when applied to REELS spectra at energies between 300 and 1000 eV taken at widely different experimental geometries. In the present paper, we provide, for the first time, a further test on its validity and find that the model also gives consistent results when applied to REELS spectra in the full range of primary electron energies from 300 eV to 10000 eV. This gives confidence in the validity of the applied method.

  8. Modifying the Electronic Properties of Nano-Structures Using Strain

    International Nuclear Information System (INIS)

    Lamba, V K; Engles, D

    2012-01-01

    We used density-functional theory based Non equilibrium green function simulations to study the effects of strain and quantum confinement on the electronic properties of Germanium and Silicon NWs along the [110] direction, such as the energy gap and the effective masses of the electron and hole. The diameters of the NWs being studied in a range of 3-20 Å. On basis of our calculation we conclude that the Ge [110] NWs possess a direct band gap, while Si [110] NWs possess indirect band gap at nanoscale. The band gap is almost a linear function of strain when the diameter of Ge NWs D 15 Å; and for Si it is linear in behaviour. On doping silicon wire we found that the bandgap shows parabolic behaviour for change in strain. We also concluded that the band gap and the effective masses of charge carries (i.e. electron and hole) changes by applying the strain to the NWs. Our results suggested that strain can be used to tune the band structures of NWs, which may help in de sign of future nanoelectronic devices.

  9. [Physical properties of f electron systems]: Progress report, February 1987-January 1988

    International Nuclear Information System (INIS)

    Riseborough, P.S.

    1988-01-01

    This paper discusses the progress in research on f electron systems. The major properties discussed in this paper are: magnetic properties, transport properties, heavy fermion superconductivity, and photo-emission spectroscopy

  10. Fracture toughness properties of similar and dissimilar electron beam welds

    International Nuclear Information System (INIS)

    Kocak, M.; Junghans, E.

    1994-01-01

    The weldability aspects, tensile and Crack Tip Opening Displacement (CTOD) toughness properties of 9Cr1MoNbV (P91) martensitic steel with austenitic 316L steel were evaluated for electron beam (EB) welds on 35 mm thick pates. The effects of mechanical heterogeneity (mis-matching) at the vicinity of the crack tip of dissimilar three point bend specimens on the CTOD fracture toughness values was also discussed. The CTOD tests were performed on similar and dissimilar EB welds of austenitic and tempered martensitic P91 steels at room temperature. Dilution of austenitic with martensitic steel resulted in predominantly martensitic EB weld metal, exhibiting rather high yield strength and hardness. Nevertheless, the weld metal produced high CTOD toughness values due to the beneficial effect of the lower strength austenitic steel part of the specimen in which crack deviation occured (mis-match effect). The coarse grained HAZ of the P91 steel side exhibits extremely poor CTOD toughness properties in the as-welded condition at room temperature. The CTOD values obtained are believed to be representing the intrinsic property of this zone since the distance of the crack tip to the weaker austenitic steel part of the SENB specimens was too large to cause an effective stress relaxation at the crack tip. Further post weld heat treatment at 750 C for two hours improved the CTOD toughness marginally. (orig.)

  11. Electronic properties of thermally formed thin iron oxide films

    International Nuclear Information System (INIS)

    Wielant, J.; Goossens, V.; Hausbrand, R.; Terryn, H.

    2007-01-01

    The oxide layer, present between an organic coating and the substrate, guarantees adhesion of the coating and plays a determinating role in the delamination rate of the organic coating. The purpose of this study is to compare the resistive and semiconducting properties of thermal oxides formed on steel in two different atmospheres at 250 deg. C: an oxygen rich atmosphere, air, and an oxygen deficient atmosphere, N 2 . In N 2 , a magnetite layer grows while in air a duplex oxide film forms composed by an inner magnetite layer and a thin outer hematite scale. The heat treatment for different amounts of time at high temperature was used as method to sample the thickness variation and change in electronic and semiconducting properties of the thermal oxide layers. Firstly, linear voltammetric measurements were performed to have a first insight in the electrochemical behavior of the thermal oxides in a borate buffer solution. Electrochemical impedance spectroscopy in the same buffer combined with the Mott-Schottky analysis were used to determine the semiconducting properties of the thermal oxides. By spectroscopic ellipsometry (SE) and atomic force microscopy (AFM), respectively, the thickness and roughness of the oxide layers were determined supporting the physical interpretation of the voltammetric and EIS data. These measurements clearly showed that oxide layers with different constitution, oxide resistance, flatband potential and doping concentration can be grown by changing the atmosphere

  12. Electronic property measurements for piezoelectric ceramics. Technical notes

    International Nuclear Information System (INIS)

    Cain, M.; Stewart, M.; Gee, M.

    1998-01-01

    A series of measurement notes are presented, with emphasis placed on the technical nature of the testing methodology, for the determination of key electronic properties for piezoelectric ceramic materials that are used as sensors and actuators. The report is segmented into 'sections' that may be read independently from the rest of the report. The following measurement issues are discussed: Polarisation/Electric field (PE) loop measurements including a discussion of commercial and an in-house constructed system that measures PE loops; Dielectric measurements at low and high stress application, including some thermal and stress dependency modelling of piezo materials properties, developed at NPL; Strain measurement techniques developed at CMMT; Charge measurement techniques suitable for PE loop and other data acquisition; PE loop measurement and software analysis developed at CMMT and Manchester University. The primary objective of this report is to provide a framework on which the remainder of the testing procedures are to be developed for measurements of piezoelectric properties at high stress and stress rate. These procedures will be the subject of a future publication. (author)

  13. Organic/metal interfaces. Electronic and structural properties

    Energy Technology Data Exchange (ETDEWEB)

    Duhm, Steffen

    2008-07-17

    This work addresses several important topics of the field of organic electronics. The focus lies on organic/metal interfaces, which exist in all organic electronic devices. Physical properties of such interfaces are crucial for device performance. Four main topics have been covered: (i) the impact of molecular orientation on the energy levels, (ii) energy level tuning with strong electron acceptors, (iii) the role of thermodynamic equilibrium at organic/ organic homo-interfaces and (iv) the correlation of interfacial electronic structure and bonding distance. To address these issues a broad experimental approach was necessary: mainly ultraviolet photoelectron spectroscopy was used, supported by X-ray photoelectron spectroscopy, metastable atom electron spectroscopy, X-ray diffraction and X-ray standing waves, to examine vacuum sublimed thin films of conjugated organic molecules (COMs) in ultrahigh vacuum. (i) A novel approach is presented to explain the phenomenon that the ionization energy in molecular assemblies is orientation dependent. It is demonstrated that this is due to a macroscopic impact of intramolecular dipoles on the ionization energy in molecular assemblies. Furthermore, the correlation of molecular orientation and conformation has been studied in detail for COMs on various substrates. (ii) A new approach was developed to tune hole injection barriers ({delta}{sub h}) at organic/metal interfaces by adsorbing a (sub-) monolayer of an organic electron acceptor on the metal electrode. Charge transfer from the metal to the acceptor leads to a chemisorbed layer, which reduces {delta}{sub h} to the COM overlayer. This concept was tested with three acceptors and a lowering of {delta}{sub h} of up to 1.2 eV could be observed. (iii) A transition from vacuum-level alignment to molecular level pinning at the homo-interface between a lying monolayer and standing multilayers of a COM was observed, which depended on the amount of a pre-deposited acceptor. The

  14. Synthesis Properties and Electron Spin Resonance Properties of Titanic Materials (abstract)

    Science.gov (United States)

    Cho, Jung Min; Lee, Jun; Kim, Tak Hee; Sun, Min Ho; Jang, Young Bae; Cho, Sung June

    2009-04-01

    Titanic materials were synthesized by hydrothermal method of TiO2 anatase in 10M LiOH, 10M NaOH, and 14M KOH at 130° C for 30 hours. Alkaline media were removed from the synthesized products using 0.1N HCl aqueous solution. The as-prepared samples were characterized by scanning electron microscope, transmission electron microscope, X-ray diffraction, Brunauer-Emmett-Teller isotherm, and electron spin resonance. Different shapes of synthesized products were observed through the typical electron microscope and indicated that the formation of the different morphologies depends on the treatment conditions of highly alkaline media. Many micropores were observed in the cubic or octahedral type of TiO2 samples through the typical electron microscope and Langmuir adsorption-desorption isotherm of liquid nitrogen at 77° K. Electron spin resonance studies have also been carried out to verify the existence of paramagnetic sites such as oxygen vacancies on the titania samples. The effect of alkali metal ions on the morphologies and physicochemical properties of nanoscale titania are discussed.

  15. Electronic Structure Approach to Tunable Electronic Properties of Hybrid Organic-Inorganic Perovskites

    Science.gov (United States)

    Liu, Garnett; Huhn, William; Mitzi, David B.; Kanai, Yosuke; Blum, Volker

    We present a study of the electronic structure of layered hybrid organic-inorganic perovskite (HOIP) materials using all-electron density-functional theory. Varying the nature of the organic and inorganic layers should enable systematically fine-tuning the carrier properties of each component. Using the HSE06 hybrid density functional including spin-orbit coupling (SOC), we validate the principle of tuning subsystem-specific parts of the electron band structures and densities of states in CH3NH3PbX3 (X=Cl, Br, I) compared to a modified organic component in layered (C6H5C2H4NH3) 2PbX4 (X=Cl, Br, I) and C20H22S4N2PbX4 (X=Cl, Br, I). We show that tunable shifts of electronic levels indeed arise by varying Cl, Br, I as the inorganic components, and CH3NH3+ , C6H5C2H4NH3+ , C20H22S4N22 + as the organic components. SOC is found to play an important role in splitting the conduction bands of the HOIP compounds investigated here. The frontier orbitals of the halide shift, increasing the gap, when Cl is substituted for Br and I.

  16. Influence of soil texture on hydraulic properties and water relations of a dominant warm-desert phreatophyte.

    Science.gov (United States)

    Hultine, K R; Koepke, D F; Pockman, W T; Fravolini, A; Sperry, J S; Williams, D G

    2006-03-01

    We investigated hydraulic constraints on water uptake by velvet mesquite (Prosopis velutina Woot.) at a site with sandy-loam soil and at a site with loamy-clay soil in southeastern Arizona, USA. We predicted that trees on sandy-loam soil have less negative xylem and soil water potentials during drought and a lower resistance to xylem cavitation, and reach E(crit) (the maximum steady-state transpiration rate without hydraulic failure) at higher soil water potentials than trees on loamy-clay soil. However, minimum predawn leaf xylem water potentials measured during the height of summer drought were significantly lower at the sandy-loam site (-3.5 +/- 0.1 MPa; all errors are 95% confidence limits) than at the loamy-clay site (-2.9 +/- 0.1 MPa). Minimum midday xylem water potentials also were lower at the sandy-loam site (-4.5 +/- 0.1 MPa) than at the loamy-clay site (-4.0 +/- 0.1 MPa). Despite the differences in leaf water potentials, there were no significant differences in either root or stem xylem embolism, mean cavitation pressure or Psi(95) (xylem water potential causing 95% cavitation) between trees at the two sites. A soil-plant hydraulic model parameterized with the field data predicted that E(crit) approaches zero at a substantially higher bulk soil water potential (Psi(s)) on sandy-loam soil than on loamy-clay soil, because of limiting rhizosphere conductance. The model predicted that transpiration at the sandy-loam site is limited by E(crit) and is tightly coupled to Psi(s) over much of the growing season, suggesting that seasonal transpiration fluxes at the sandy-loam site are strongly linked to intra-annual precipitation pulses. Conversely, the model predicted that trees on loamy-clay soil operate below E(crit) throughout the growing season, suggesting that fluxes on fine-textured soils are closely coupled to inter-annual changes in precipitation. Information on the combined importance of xylem and rhizosphere constraints to leaf water supply across soil

  17. Estimating soil hydraulic properties from soil moisture time series by inversion of a dual-permeability model

    Science.gov (United States)

    Dalla Valle, Nicolas; Wutzler, Thomas; Meyer, Stefanie; Potthast, Karin; Michalzik, Beate

    2017-04-01

    Dual-permeability type models are widely used to simulate water fluxes and solute transport in structured soils. These models contain two spatially overlapping flow domains with different parameterizations or even entirely different conceptual descriptions of flow processes. They are usually able to capture preferential flow phenomena, but a large set of parameters is needed, which are very laborious to obtain or cannot be measured at all. Therefore, model inversions are often used to derive the necessary parameters. Although these require sufficient input data themselves, they can use measurements of state variables instead, which are often easier to obtain and can be monitored by automated measurement systems. In this work we show a method to estimate soil hydraulic parameters from high frequency soil moisture time series data gathered at two different measurement depths by inversion of a simple one dimensional dual-permeability model. The model uses an advection equation based on the kinematic wave theory to describe the flow in the fracture domain and a Richards equation for the flow in the matrix domain. The soil moisture time series data were measured in mesocosms during sprinkling experiments. The inversion consists of three consecutive steps: First, the parameters of the water retention function were assessed using vertical soil moisture profiles in hydraulic equilibrium. This was done using two different exponential retention functions and the Campbell function. Second, the soil sorptivity and diffusivity functions were estimated from Boltzmann-transformed soil moisture data, which allowed the calculation of the hydraulic conductivity function. Third, the parameters governing flow in the fracture domain were determined using the whole soil moisture time series. The resulting retention functions were within the range of values predicted by pedotransfer functions apart from very dry conditions, where all retention functions predicted lower matrix potentials

  18. Effect of protonation on the electronic properties of DNA base pairs: applications for molecular electronics.

    Science.gov (United States)

    Mallajosyula, Sairam S; Pati, Swapan K

    2007-10-11

    Protonation of DNA basepairs is a reversible phenomenon that can be controlled by tuning the pH of the system. Under mild acidic conditions, the hydrogen-bonding pattern of the DNA basepairs undergoes a change. We study the effect of protonation on the electronic properties of the DNA basepairs to probe for possible molecular electronics applications. We find that, under mild acidic pH conditions, the A:T basepair shows excellent rectification behavior that is, however, absent in the G:C basepair. The mechanism of rectification has been discussed using a simple chemical potential model. We also consider the noncanonical A:A basepair and find that it can be used as efficient pH dependent molecular switch. The switching action in the A:A basepair is explained in the light of pi-pi interactions, which lead to efficient delocalization over the entire basepair.

  19. Atomistic simulations of divacancy defects in armchair graphene nanoribbons: Stability, electronic structure, and electron transport properties

    Energy Technology Data Exchange (ETDEWEB)

    Zhao, Jun [College of Physical Science and Technology, Yangtze University, Jingzhou, Hubei 434023 (China); Zeng, Hui, E-mail: zenghui@yangtzeu.edu.cn [College of Physical Science and Technology, Yangtze University, Jingzhou, Hubei 434023 (China); Wei, Jianwei [College of Optoelectronic Information, Chongqing University of Technology, Chongqing 400054 (China); Li, Biao; Xu, Dahai [College of Physical Science and Technology, Yangtze University, Jingzhou, Hubei 434023 (China)

    2014-01-17

    Using the first principles calculations associated with nonequilibrium Green's function, we have studied the electronic structures and quantum transport properties of defective armchair graphene nanoribbon (AGNR) in the presence of divacancy defects. The triple pentagon–triple heptagon (555–777) defect in the defective AGNR is energetically more favorable than the pentagon–octagon–pentagon (5–8–5) defect. Our calculated results reveal that both 5–8–5-like defect and 555–777-like defect in AGNR could improve the electron transport. It is anticipated that defective AGNRs can exhibit large range variations in transport behaviors, which are strongly dependent on the distributions of the divacancy defect.

  20. Electronic properties of antiferromagnetic UBi2 metal by exact exchange for correlated electrons method

    Directory of Open Access Journals (Sweden)

    E Ghasemikhah

    2012-03-01

    Full Text Available This study investigated the electronic properties of antiferromagnetic UBi2 metal by using ab initio calculations based on the density functional theory (DFT, employing the augmented plane waves plus local orbital method. We used the exact exchange for correlated electrons (EECE method to calculate the exchange-correlation energy under a variety of hybrid functionals. Electric field gradients (EFGs at the uranium site in UBi2 compound were calculated and compared with the experiment. The EFGs were predicted experimentally at the U site to be very small in this compound. The EFG calculated by the EECE functional are in agreement with the experiment. The densities of states (DOSs show that 5f U orbital is hybrided with the other orbitals. The plotted Fermi surfaces show that there are two kinds of charges on Fermi surface of this compound.

  1. Cracking up (and down): Linking multi-domain hydraulic properties with multi-scale hydrological processes in shrink-swell soils

    Science.gov (United States)

    Stewart, R. D.; Rupp, D. E.; Abou Najm, M. R.; Selker, J. S.

    2017-12-01

    Shrink-swell soils, often classified as Vertisols or vertic intergrades, are found on every continent except Antarctica and within many agricultural and urban regions. These soils are characterized by cyclical shrinking and swelling, in which bulk density and porosity distributions vary as functions of time and soil moisture. Crack networks that form in these soils act as dominant environmental controls on the movement of water, contaminants, and gases, making it important to develop fundamental understanding and tractable models of their hydrologic characteristics and behaviors. In this study, which took place primarily in the Secano Interior region of South-Central Chile, we quantified soil-water interactions across scales using a diverse and innovative dataset. These measurements were then utilized to develop a set of parsimonious multi-domain models for describing hydraulic properties and hydrological processes in shrink-swell soils. In a series of examples, we show how this model can predict porosity distributions, crack widths, saturated hydraulic conductivities, and surface runoff (i.e., overland flow) thresholds, by capturing the dominant mechanisms by which water moves through and interacts with clayey soils. Altogether, these models successfully link small-scale shrinkage/swelling behaviors with large-scale thresholds, and can be applied to describe important processes such as infiltration, overland flow development, and the preferential flow and transport of fluids and gases.

  2. Electronic properties of semiconductor surfaces and metal/semiconductor interfaces

    Energy Technology Data Exchange (ETDEWEB)

    Tallarida, M.

    2005-05-15

    This thesis reports investigations of the electronic properties of a semiconductor surface (silicon carbide), a reactive metal/semiconductor interface (manganese/silicon) and a non-reactive metal/semiconductor interface (aluminum-magnesium alloy/silicon). The (2 x 1) reconstruction of the 6H-SiC(0001) surface has been obtained by cleaving the sample along the (0001) direction. This reconstruction has not been observed up to now for this compound, and has been compared with those of similar elemental semiconductors of the fourth group of the periodic table. This comparison has been carried out by making use of photoemission spectroscopy, analyzing the core level shifts of both Si 2p and C 1s core levels in terms of charge transfer between atoms of both elements and in different chemical environments. From this comparison, a difference between the reconstruction on the Si-terminated and the C-terminated surface was established, due to the ionic nature of the Si-C bond. The growth of manganese films on Si(111) in the 1-5 ML thickness range has been studied by means of LEED, STM and photoemission spectroscopy. By the complementary use of these surface science techniques, two different phases have been observed for two thickness regimes (<1 ML and >1 ML), which exhibit a different electronic character. The two reconstructions, the (1 x 1)-phase and the ({radical}3 x {radical}3)R30 -phase, are due to silicide formation, as observed in core level spectroscopy. The growth proceeds via island formation in the monolayer regime, while the thicker films show flat layers interrupted by deep holes. On the basis of STM investigations, this growth mode has been attributed to strain due to lattice mismatch between the substrate and the silicide. Co-deposition of Al and Mg onto a Si(111) substrate at low temperature (100K) resulted in the formation of thin alloy films. By varying the relative content of both elements, the thin films exhibited different electronic properties

  3. Modelling of electronic and vibrational properties of carbon nanostructures

    Science.gov (United States)

    Margine, Elena Roxana

    The main goals of this dissertation work are the analysis and prediction of the properties of nanoscale carbon materials which hold great potential for nanotechnological applications such as strong conductive composites, field-effect transistors, diodes, rechargeable batteries, etc. Some of these exciting applications are already being actively developed, however their design via trial-and-error experimentation is often difficult and expensive. State-of-the-art simulation methods can be used as a powerful tool to streamline the path to practical implementations. In this thesis I use ab initio quantum-mechanical calculations to explore the response of nanoscale carbon materials to doping. A brief overview of the theoretical methods and of some basic concepts on carbon nanotubes are given in the first two chapters. In Chapter 3 we study the effect of doping in double-walled carbon nanotubes. These systems can be considered as nanoscale capacitors since they have two conducting (or semi-conducting) shells. The experimental work of our collaborators demonstrated for the first time that such a capacitor can be realized by the adsorption of bromine anions at the surface of the outer tube. Our theoretical analysis of the experimental results revealed that this quantum system, surprisingly, behaves exactly as the classical Faraday cage: the electric charge always resides on the outside surface of the conductor, even when the pristine tubes are not metallic. In Chapter 4 I present our findings on the phonon frequencies' response to electron doping in single-walled carbon nanotubes. It is well established that when graphite is doped with electrons, carbon-carbon bonds lengthen and all vibrational frequencies soften. However, in semiconducting carbon nanotubes, the frequency of one mode increases at low levels of alkali doping. Having carefully modelled the process with ab initio methods we conclude that the unusual behavior of the vibrational mode depends on which electronic

  4. Electronic structure and properties of uranyl compounds. Problems of electron-donor conception

    International Nuclear Information System (INIS)

    Glebov, V.A.

    1982-01-01

    Comparison of the series of the ligand mutual substitution in the uranyl compounds with the ligand series of d-elements and with the uranyl ''covalent model'', is made. The data on ionization potentials of the ligand higher valent levels and on the structure of some uranyl nitrate compounds are considered. It is concluded that the mechanism of the ligand effect on the properties of uranyl grouping is more complex, than it is supposed in the traditional representations on the nature of electron-donor interactions in the uranyl compounds

  5. Electronic Properties of Graphene-PtSe2 Contacts.

    Science.gov (United States)

    Sattar, Shahid; Schwingenschlögl, Udo

    2017-05-10

    In this article, we study the electronic properties of graphene in contact with monolayer and bilayer PtSe 2 using first-principles calculations. It turns out that there is no charge transfer between the components because of the weak van der Waals interaction. We calculate the work functions of monolayer and bilayer PtSe 2 and analyze the band bending at the contact with graphene. The formation of an n-type Schottky contact with monolayer PtSe 2 and a p-type Schottky contact with bilayer PtSe 2 is demonstrated. The Schottky barrier height is very low in the bilayer case and can be reduced to zero by 0.8% biaxial tensile strain.

  6. Electronic Properties of Graphene–PtSe2 Contacts

    KAUST Repository

    Sattar, Shahid

    2017-04-26

    In this article, we study the electronic properties of graphene in contact with monolayer and bilayer PtSe2 using first-principles calculations. It turns out that there is no charge transfer between the components because of the weak van der Waals interaction. We calculate the work functions of monolayer and bilayer PtSe2 and analyze the band bending at the contact with graphene. The formation of an n-type Schottky contact with monolayer PtSe2 and a p-type Schottky contact with bilayer PtSe2 is demonstrated. The Schottky barrier height is very low in the bilayer case and can be reduced to zero by 0.8% biaxial tensile strain.

  7. Structural and electronic properties of carbon nanotubes under hydrostatic pressures

    International Nuclear Information System (INIS)

    Zhang Ying; Cao Juexian; Yang Wei

    2008-01-01

    We studied the structural and electronic properties of carbon nanotubes under hydrostatic pressures based on molecular dynamics simulations and first principles band structure calculations. It is found that carbon nanotubes experience a hard-to-soft transition as external pressure increases. The bulk modulus of soft phase is two orders of magnitude smaller than that of hard phase. The band structure calculations show that band gap of (10, 0) nanotube increases with the increase of pressure at low pressures. Above a critical pressure (5.70GPa), band gap of (10, 0) nanotube drops rapidly and becomes zero at 6.62GPa. Moreover, the calculated charge density shows that a large pressure can induce an sp 2 -to-sp 3 bonding transition, which is confirmed by recent experiments on deformed carbon nanotubes

  8. Electronic Properties of Graphene–PtSe2 Contacts

    KAUST Repository

    Sattar, Shahid; Schwingenschlö gl, Udo

    2017-01-01

    In this article, we study the electronic properties of graphene in contact with monolayer and bilayer PtSe2 using first-principles calculations. It turns out that there is no charge transfer between the components because of the weak van der Waals interaction. We calculate the work functions of monolayer and bilayer PtSe2 and analyze the band bending at the contact with graphene. The formation of an n-type Schottky contact with monolayer PtSe2 and a p-type Schottky contact with bilayer PtSe2 is demonstrated. The Schottky barrier height is very low in the bilayer case and can be reduced to zero by 0.8% biaxial tensile strain.

  9. Electronic properties of field aligned CrO2 powders

    International Nuclear Information System (INIS)

    Tripathy, D.; Adeyeye, A.O.

    2005-01-01

    We have investigated in detail the electronic transport properties of half metallic CrO 2 powder-based devices, fabricated using optical lithography and field alignment technique. A transition in the conduction mechanism from spin-dependent intergranular tunneling to inelastic hopping was observed at 215 K. This transition temperature shifts to 230 K in the presence of 10 kOe field cooling due to reduction of the spin-independent hopping conductance channel. I-V characteristics exhibit strong temperature dependence and are non-linear even at room temperature. Our experimental results are in good agreement with a simple theoretical model. A novel 'double switching' phenomenon was observed in the I-V curves below the transition temperature

  10. Edge effects on the electronic properties of phosphorene nanoribbons

    International Nuclear Information System (INIS)

    Peng, Xihong; Copple, Andrew; Wei, Qun

    2014-01-01

    Two dimensional few-layer black phosphorus crystal structures have recently been fabricated and have demonstrated great potential in electronic applications. In this work, we employed first principles density functional theory calculations to study the edge and quantum confinement effects on the electronic properties of the phosphorene nanoribbons (PNR). Different edge functionalization groups, such as H, F, Cl, OH, O, S, and Se, in addition to a pristine case were studied for a series of ribbon widths up to 3.5 nm. It was found that the armchair-PNRs (APNRs) are semiconductors for all edge groups considered in this work. However, the zigzag-PNRs (ZPNRs) show either semiconductor or metallic behavior in dependence on their edge chemical species. Family 1 edges (i.e., H, F, Cl, OH) form saturated bonds with P atoms in the APNRs and ZPNRs, and the edge states keep far away from the band gap. However, Family 2 edges (pristine, O, S, Se) form weak unsaturated bonds with the p z orbital of the phosphorus atoms and bring edge states within the band gap of the ribbons. For the ZPNRs, the edge states of Family 2 are present around the Fermi level within the band gap, which close up the band gap of the ZPNRs. For the APNRs, these edge states are located at the bottom of the conduction band and result in a reduced band gap.

  11. Electronic and magnetic properties of small rhodium clusters

    Energy Technology Data Exchange (ETDEWEB)

    Soon, Yee Yeen; Yoon, Tiem Leong [School of Physics, Universiti Sains Malaysia, 11800 USM, Penang (Malaysia); Lim, Thong Leng [Faculty of Engineering and Technology, Multimedia University, Melaka Campus, 75450 Melaka (Malaysia)

    2015-04-24

    We report a theoretical study of the electronic and magnetic properties of rhodium-atomic clusters. The lowest energy structures at the semi-empirical level of rhodium clusters are first obtained from a novel global-minimum search algorithm, known as PTMBHGA, where Gupta potential is used to describe the atomic interaction among the rhodium atoms. The structures are then re-optimized at the density functional theory (DFT) level with exchange-correlation energy approximated by Perdew-Burke-Ernzerhof generalized gradient approximation. For the purpose of calculating the magnetic moment of a given cluster, we calculate the optimized structure as a function of the spin multiplicity within the DFT framework. The resultant magnetic moments with the lowest energies so obtained allow us to work out the magnetic moment as a function of cluster size. Rhodium atomic clusters are found to display a unique variation in the magnetic moment as the cluster size varies. However, Rh{sub 4} and Rh{sub 6} are found to be nonmagnetic. Electronic structures of the magnetic ground-state structures are also investigated within the DFT framework. The results are compared against those based on different theoretical approaches available in the literature.

  12. Electronic transport properties of copper and gold at atomic scale

    Energy Technology Data Exchange (ETDEWEB)

    Mohammadzadeh, Saeideh

    2010-11-23

    The factors governing electronic transport properties of copper and gold atomic-size contacts are theoretically examined in the present work. A two-terminal conductor using crystalline electrodes is adopted. The non-equilibrium Green's function combined with the density functional tight-binding method is employed via gDFTB simulation tool to calculate the transport at both equilibrium and non-equilibrium conditions. The crystalline orientation, length, and arrangement of electrodes have very weak influence on the electronic characteristics of the considered atomic wires. The wire width is found to be the most effective geometric aspect determining the number of conduction channels. The obtained conductance oscillation and linear current-voltage curves are interpreted. To analyze the conduction mechanism in detail, the transmission channels and their decomposition to the atomic orbitals are calculated in copper and gold single point contacts. The presented results offer a possible explanation for the relation between conduction and geometric structure. Furthermore, the results are in good agreement with available experimental and theoretical studies. (orig.)

  13. Structural and electronic properties of La C[sub 82

    Energy Technology Data Exchange (ETDEWEB)

    Laasonen, K.; Andreoni, W.; Parrinello, M. (Zurich Research Lab., Rueschlikon (Switzerland))

    1992-12-18

    The structural and electronic properties of the La C[sub 82] fullerene have been investigated by means of the Car-Parrinello method, which is based on the local density approximation of the density functional theory. The topological arrangement of the C[sub 82] cage was assumed to be a C[sub 3v] symmetry isomer. Three configurations were considered, one with the lanthanum atom at the center of the cluster, one with it along the threefold axis, and one with it at a low-symmetry, highly coordinated site. The structure was fully relaxed and it was found that the last of these configurations is energetically preferred. In this position, the lanthanum atom is nearly in a La[sup 3+] state and the unpaired electron is somewhat delocalized on the cage, in agreement with available experimental data. This arrangement suggests that the chemical shifts of the 5s and 5p lanthanum states can be used as a structural probe and as a way of further validating this picture. It is argued that this conclusion is not affected by the assumed fullerene structure.

  14. Edge effects on the electronic properties of phosphorene nanoribbons

    Energy Technology Data Exchange (ETDEWEB)

    Peng, Xihong, E-mail: xihong.peng@asu.edu [School of Letters and Sciences, Arizona State University, Mesa, Arizona 85212 (United States); Copple, Andrew [Department of Physics, Arizona State University, Tempe, Arizona 85287 (United States); Wei, Qun [School of Letters and Sciences, Arizona State University, Mesa, Arizona 85212 (United States); School of Physics and Optoelectronic Engineering, Xidian University, Xi' an 710071 (China)

    2014-10-14

    Two dimensional few-layer black phosphorus crystal structures have recently been fabricated and have demonstrated great potential in electronic applications. In this work, we employed first principles density functional theory calculations to study the edge and quantum confinement effects on the electronic properties of the phosphorene nanoribbons (PNR). Different edge functionalization groups, such as H, F, Cl, OH, O, S, and Se, in addition to a pristine case were studied for a series of ribbon widths up to 3.5 nm. It was found that the armchair-PNRs (APNRs) are semiconductors for all edge groups considered in this work. However, the zigzag-PNRs (ZPNRs) show either semiconductor or metallic behavior in dependence on their edge chemical species. Family 1 edges (i.e., H, F, Cl, OH) form saturated bonds with P atoms in the APNRs and ZPNRs, and the edge states keep far away from the band gap. However, Family 2 edges (pristine, O, S, Se) form weak unsaturated bonds with the p{sub z} orbital of the phosphorus atoms and bring edge states within the band gap of the ribbons. For the ZPNRs, the edge states of Family 2 are present around the Fermi level within the band gap, which close up the band gap of the ZPNRs. For the APNRs, these edge states are located at the bottom of the conduction band and result in a reduced band gap.

  15. Characterizing Hydraulic Properties and Ground-Water Chemistry in Fractured-Rock Aquifers: A User's Manual for the Multifunction Bedrock-Aquifer Transportable Testing Tool (BAT3)

    Science.gov (United States)

    Shapiro, Allen M.

    2007-01-01

    packers, the submersible pump, and other downhole components to land surface. Borehole geophysical logging must be conducted prior to deploying the Multifunction BAT3 in bedrock boreholes. In particular, it is important to identify the borehole diameter as a function of depth to avoid placing the packers over rough sections of the borehole, where they may be damaged during inflation. In addition, it is advantageous to identify the location of fractures intersecting the borehole wall, for example, using an acoustic televiewer log or a borehole camera. A knowledge of fracture locations is helpful in designing the length of the test interval and the locations where hydraulic tests and geochemical sampling are to be conducted. The Multifunction BAT3 is configured to conduct both fluid-injection and fluid-withdrawal tests. Fluid-injection tests are used to estimate the hydraulic properties of low-permeability fractures intersecting the borehole. The lower limit of the transmissivity that can be estimated using the configuration of the Multifunction BAT3 described in this report is approximately 10-3 square feet per day (ft2/d). Fluid-withdrawal tests are used to collect water samples for geochemical analyses and estimate the hydraulic properties of high-permeability fractures intersecting the borehole. The Multifunction BAT3 is configured with a submersible pump that can support pumping rates ranging from approximately 0.05 to 2.5 gallons per minute, and the upper limit of the of the transmissivity that can be estimated is approximately 104 ft2/d. The Multifunction BAT3 also can be used to measure the ambient hydraulic head of a section of a bedrock borehole, and to conduct single-hole tracer tests by injecting and later withdrawing a tracer solution.

  16. Electronic, structural, and optical properties of crystalline yttria

    International Nuclear Information System (INIS)

    Xu, Y.; Gu, Z.; Ching, W.Y.

    1997-01-01

    The electronic structure of crystalline Y 2 O 3 is investigated by first-principles calculations within the local-density approximation (LDA) of the density-functional theory. Results are presented for the band structure, the total density of states (DOS), the atom- and orbital-resolved partial DOS, effective charges, bond order, and charge-density distributions. Partial covalent character in the Y-O bonding is shown, and the nonequivalency of the two Y sites is demonstrated. The calculated electronic structure is compared with a variety of available experimental data. The total energy of the crystal is calculated as a function of crystal volume. A bulk modulus B of 183 Gpa and a pressure coefficient B ' of 4.01 are obtained, which are in good agreement with compression data. An LDA band gap of 4.54 eV at Γ is obtained which increases with pressure at a rate of dE g /dP=0.012eV/Gpa at the equilibrium volume. Also investigated are the optical properties of Y 2 O 3 up to a photon energy of 20 eV. The calculated complex dielectric function and electron-energy-loss function are in good agreement with experimental data. A static dielectric constant of var-epsilon(0)=3.20 is obtained. It is also found that the bottom of the conduction band consists of a single band, and direct optical transition at Γ between the top of the valence band and the bottom of the conduction band may be symmetry forbidden. copyright 1997 The American Physical Society

  17. Coupled thermo-hydro-mechanical calculations of the water saturation phase of a KBS-3 deposition hole. Influence of hydraulic rock properties on the water saturation phase

    International Nuclear Information System (INIS)

    Boergesson, Lennart; Hernelind, J.

    1999-12-01

    The wetting process in deposition holes designed according to the KBS-3-concept has been simulated with finite element calculations of the thermo-hydro-mechanical processes in the buffer, backfill and surrounding rock. The buffer material has been modelled according to the preliminary material models developed for swelling clay. The properties of the rock have been varied in order to investigate the influence of the rock properties and the hydraulic conditions on the wetting processes. In the modelling of the test holes the permeability of the rock matrix, the water supply from the backfill, the water pressure in the surrounding rock, the permeability of the disturbed zone around the deposition hole, the water retention properties of the rock, and the transmissivity of two fractures intersecting the deposition hole have been varied. The calculations indicate that the wetting takes about 5 years if the water pressure in the rock is high and if the permeability of the rock is so high that the properties of the bentonite determine the wetting rate. However, it may take considerably more than 30 years if the rock is very tight and the water pressure in the rock is low. The calculations also show that the influence of the rock structure is rather large except for the influence of the transmissivity T of the fractures, which turned out to be insignificant for the values used in the calculations

  18. Hydraulic manipulator

    International Nuclear Information System (INIS)

    Sinha, A.K.; Srikrishnamurty, G.

    1990-01-01

    Successful operation of nuclear plant is largely dependent on safe handling of radio-active material. In order to reduce this handling problem and minimise the exposure of radiation, various handling equipment and manipulators have been developed according to the requirements. Manufacture of nuclear fuel, which is the most important part of the nuclear industry, involves handling of uranium ingots weighing approximately 250 kg. This paper describes a specially designed hydraulic manipulator for handling of the ingots in a limited space. It was designed to grab and handle the ingots in any position. This has following drive motions: (1)gripping and releasing, (2)lifting and lowering (z-motion), (3)rotation about the horizontal axis (azimuth drive), (4)rotation about the job axis, and (5)rotation about the vertical axis. For horizontal motion (X and Y axis motion) this equipment is mounted on a motorised trolley, so that it can move inside the workshop. For all drives except the rotation about the job axis, hydraulic cylinders have been used with a battery operated power pack. Trolley drive is also given power from same battery. This paper describes the design aspects of this manipulator. (author). 4 figs

  19. Geometry, electronic structures and optical properties of phosphorus nanotubes

    International Nuclear Information System (INIS)

    Hu, Tao; Hashmi, Arqum; Hong, Jisang

    2015-01-01

    Using a first principles approach, we investigated the geometry, electronic structures, and optical properties of phosphorus nanotubes (PNTs). Two possible 1D configurations, the so-called α-PNTs and β-PNTs, are proposed, which are structurally related to blue and black phosphorus monolayers, respectively. Hereby, we predict that both armchair and zigzag geometries can be synthesized in α-PNTs, but the zigzag form of β-PNT is highly unfavorable because of large strain and conformation energies. The band gap of α-PNTs is expected to be ∼2.67 eV, and this is insensitive to the chirality when the tube’s inner diameter is larger than 1.3 nm, while the armchair β-PNTs have a much smaller band gap. Interestingly, we find nearly flat band structures in the zigzag α-PNT system. This may indicate that an excited particle–hole pair has a huge effective mass. We also find asymmetric optical properties with respect to the polarization direction. The armchair α-PNT for parallel polarization shows a large refractive index of 2.6 near the ultraviolet wavelength, and also we find that the refractive index can be even smaller than 1 in certain frequency ranges. The zigzag tubes show very weak reflectivity for parallel polarization, while the armchair tube displays high reflectivity. (paper)

  20. Electronic properties of disordered Weyl semimetals at charge neutrality

    Science.gov (United States)

    Holder, Tobias; Huang, Chia-Wei; Ostrovsky, Pavel M.

    2017-11-01

    Weyl semimetals have been intensely studied as a three-dimensional realization of a Dirac-like excitation spectrum where the conduction bands and valence bands touch at isolated Weyl points in momentum space. Like in graphene, this property entails various peculiar electronic properties. However, recent theoretical studies have suggested that resonant scattering from rare regions can give rise to a nonzero density of states even at charge neutrality. Here, we give a detailed account of this effect and demonstrate how the semimetallic nature is suppressed at the lowest scales. To this end, we develop a self-consistent T -matrix approach to investigate the density of states beyond the limit of weak disorder. Our results show a nonvanishing density of states at the Weyl point, which exhibits a nonanalytic dependence on the impurity density. This unusually strong effect of rare regions leads to a revised estimate for the conductivity close to the Weyl point and emphasizes possible deviations from semimetallic behavior in dirty Weyl semimetals at charge neutrality even with very low impurity concentration.

  1. Electronic properties and optical absorption of a phosphorene quantum dot

    Science.gov (United States)

    Liang, F. X.; Ren, Y. H.; Zhang, X. D.; Jiang, Z. T.

    2018-03-01

    Using the tight-binding Hamiltonian approach, we theoretically study the electronic and optical properties of a triangular phosphorene quantum dot (PQD) including one normal zigzag edge and two skewed armchair edges (ZAA-PQD). It is shown that the energy spectrum can be classified into the filled band (FB), the zero-energy band (ZB), and the unfilled band (UB). Numerical calculations of the FB, ZB, and UB probability distributions show that the FB and the UB correspond to the bulk states, while the ZB corresponds to the edge states, which appear on all of the three edges of the ZAA-PQD sharply different from the other PQDs. We also find that the strains and the electric fields can affect the energy levels inhomogeneously. Then the optical properties of the ZAA-PQD are investigated. There appear some strong low-energy optical absorption peaks indicating its sensitive low-energy optical response that is absent in other PQDs. Moreover, the strains and the electric fields can make inhomogeneous influences on the optical spectrum of the ZAA-PQD. This work may provide a useful reference for designing the electrical, mechanical, and optical PQD devices.

  2. Experimental Results for Direct Electron Irradiation of a Uranyl Sulfate Solution: Bubble Formation and Thermal Hydraulics Studies

    Energy Technology Data Exchange (ETDEWEB)

    Chemerisov, Sergey [Argonne National Lab. (ANL), Argonne, IL (United States); Gromov, R. [Argonne National Lab. (ANL), Argonne, IL (United States); Makarashvili, Vakhtang [Argonne National Lab. (ANL), Argonne, IL (United States); Heltemes, Thad [Argonne National Lab. (ANL), Argonne, IL (United States); Sun, Zaijing [Argonne National Lab. (ANL), Argonne, IL (United States); Wardle, Kent E. [Argonne National Lab. (ANL), Argonne, IL (United States); Bailey, James [Argonne National Lab. (ANL), Argonne, IL (United States); Stepinski, Dominique [Argonne National Lab. (ANL), Argonne, IL (United States); Jerden, James [Argonne National Lab. (ANL), Argonne, IL (United States); Vandegrift, George F. [Argonne National Lab. (ANL), Argonne, IL (United States)

    2015-01-30

    In support of the development of accelerator-driven production of fission product Mo-99 as proposed by SHINE Medical Technologies, a 35 MeV electron linac was used to irradiate depleted-uranium (DU) uranyl sulfate dissolved in pH 1 sulfuric acid at average power densities of 6 kW, 12 kW, and 15 kW. During these irradiations, gas bubbles were generated in the solution due to the radiolytic decomposition of water molecules in the solution. Multiple video cameras were used to record the behavior of bubble generation and transport in the solution. Seven six-channel thermocouples were used to record temperature gradients in the solution from self-heating. Measurements of hydrogen and oxygen concentrations in a helium sweep gas were recorded by a gas chromatograph to estimate production rates during irradiation. These data are being used to validate a computational fluid dynamics (CFD) model of the experiment that includes multiphase flow and a custom bubble injection model for the solution region.

  3. Experimental Results for Direct Electron Irradiation of a Uranyl Sulfate Solution: Bubble Formation and Thermal Hydraulics Studies

    International Nuclear Information System (INIS)

    Chemerisov, Sergey; Gromov, R.; Makarashvili, Vakhtang; Heltemes, Thad; Sun, Zaijing; Wardle, Kent E.; Bailey, James; Stepinski, Dominique; Jerden, James; Vandegrift, George F.

    2015-01-01

    In support of the development of accelerator-driven production of fission product Mo-99 as proposed by SHINE Medical Technologies, a 35 MeV electron linac was used to irradiate depleted-uranium (DU) uranyl sulfate dissolved in pH 1 sulfuric acid at average power densities of 6 kW, 12 kW, and 15 kW. During these irradiations, gas bubbles were generated in the solution due to the radiolytic decomposition of water molecules in the solution. Multiple video cameras were used to record the behavior of bubble generation and transport in the solution. Seven six-channel thermocouples were used to record temperature gradients in the solution from self-heating. Measurements of hydrogen and oxygen concentrations in a helium sweep gas were recorded by a gas chromatograph to estimate production rates during irradiation. These data are being used to validate a computational fluid dynamics (CFD) model of the experiment that includes multiphase flow and a custom bubble injection model for the solution region.

  4. Modifying the electronic and optical properties of carbon nanotubes

    Science.gov (United States)

    Kinder, Jesse M.

    The intrinsic electronic and optical properties of carbon nanotubes make them promising candidates for circuit elements and LEDs in nanoscale devices. However, applied fields and interactions with the environment can modify these intrinsic properties. This dissertation is a theoretical study of perturbations to an ideal carbon nanotube. It illustrates how transport and optical properties of carbon nanotubes can be adversely affected or intentionally modified by the local environment. The dissertation is divided into three parts. Part I analyzes the effect of a transverse electric field on the single-electron energy spectrum of semiconducting carbon nanotubes. Part II analyzes the effect of the local environment on selection rules and decay pathways relevant to dark excitons. Part III is a series of 26 appendices. Two different models for a transverse electric field are introduced in Part I. The first is a uniform field perpendicular to the nanotube axis. This model suggests the field has little effect on the band gap until it exceeds a critical value that can be tuned with strain or a magnetic field. The second model is a transverse field localized to a small region along the nanotube axis. The field creates a pair of exponentially localized bound states but has no effect on the band gap for particle transport. Part II explores the physics of dark excitons in carbon nanotubes. Two model calculations illustrate the effect of the local environment on allowed optical transitions and nonradiative recombination pathways. The first model illustrates the role of inversion symmetry in the optical spectrum. Broken inversion symmetry may explain low-lying peaks in the exciton spectrum of boron nitride nanotubes and localized photoemission around impurities and interfaces in carbon nanotubes. The second model in Part II suggests that free charge carriers can mediate an efficient nonradiative decay process for dark excitons in carbon nanotubes. The appendices in Part III

  5. Electronic, Optical, and Thermal Properties of Reduced-Dimensional Semiconductors

    Science.gov (United States)

    Huang, Shouting

    Reduced-dimensional materials have attracted tremendous attention because of their new physics and exotic properties, which are of great interests for fundamental science. More importantly, the manipulation and engineering of matter on an atomic scale yield promising applications for many fields including nanoelectronics, nanobiotechnology, environments, and renewable energy. Because of the unusual quantum confinement and enhanced surface effect of reduced-dimensional materials, traditional empirical models suffer from necessary but unreliable parameters extracted from previously-studied bulk materials. In this sense, quantitative, parameter-free approaches are highly useful for understanding properties of reduced-dimensional materials and, furthermore, predicting their novel applications. The first-principles density functional theory (DFT) is proven to be a reliable and convenient tool. In particular, recent progress in many-body perturbation theory (MBPT) makes it possible to calculate excited-state properties, e.g., quasiparticle (QP) band gap and optical excitations, by the first-principles approach based on DFT. Therefore, during my PhD study, I employed first-principles calculations based on DFT and MBPT to systematically study fundamental properties of typical reduced-dimensional semiconductors, i.e., the electronic structure, phonons, and optical excitations of core-shell nanowires (NWs) and graphene-like two-dimensional (2D) structures of current interests. First, I present first-principles studies on how to engineer band alignments of nano-sized radial heterojunctions, Si/Ge core-shell NWs. Our calculation reveals that band offsets in these one-dimensional (1D) nanostructures can be tailored by applying axial strain or varying core-shell sizes. In particular, the valence band offset can be efficiently tuned across a wide range and even be diminished via applied strain. Two mechanisms contribute to this tuning of band offsets. Furthermore, varying the

  6. Improvement of carbon fibre surface properties using electron beam irradiation

    International Nuclear Information System (INIS)

    Eddy Segura Pino; Luci Diva Brocardo Machado; Claudia Giovedi

    2006-01-01

    Carbon fiber-reinforced advance composites have been used for structural applications, mainly due to their mechanical properties, and additional features such as high strength-to-weight ratio, stiffness-to-weight ratio, corrosion resistance and wear properties. The main factor for a good mechanical performance of carbon fiber-reinforced composite is the interfacial interaction between the components that are fiber and polymeric matrix. The greatest challenge is to improve adhesion between components having elasticity modulus which differ by orders of magnitude and furthermore they are immiscible in each other. Another important factor is the sizing material on the carbon fiber, which protects the carbon fiber filaments and must be compatible with the matrix material in order to improve the adhesion process. The interaction of ionizing radiation from electron beam can induce in the irradiated material the formation of very active centers and free radicals. Further evolution of these active species can significantly modify structure and properties not only in the irradiated polymeric matrix but also on the fiber surface. So that, fiber and matrix play an important role in the production of chemical bonds, which promote better adhesion between both materials improving the composite mechanical performance. The aim of this work was to improve the surface properties of the carbon fiber surface using ionizing radiation from an electron beam in order to obtain improvement of the adhesion properties in the resulted composite. Commercial carbon fiber roving of high tensile strength with 12 000 filaments named 12 k, and sizing material of epoxy resin modified by ester groups was studied. EB irradiation has been carried out at the Institute for Nuclear and Energy Research (IPEN) facilities using a 1.5 MeV 37.5 kW Dynamitron electron accelerator model JOB-188. Rovings of carbon fibers with 1.78 g cm -3 density and 0.13 mm thickness were irradiated with 0.555 MeV, 6.43 mA and

  7. Nanostructured hybrid films containing nanophosphor: Fabrication and electronic spectral properties

    Energy Technology Data Exchange (ETDEWEB)

    Camacho, S.A. [Instituto de Biociencias, Letras e Ciencias Exatas, UNESP - Univ Estadual Paulista, Rua Cristovao Colombo, 2265, 15054-000 Sao Jose do Rio Preto, SP (Brazil); Aoki, P.H.B.; Constantino, C.J.L. [Faculdade de Ciencias e Tecnologia, UNESP - Univ Estadual Paulista, Rua Roberto Simonsen, 305, 19060-900 Presidente Prudente, SP (Brazil); Aroca, R.F. [Materials and Surface Science Group, University of Windsor, Windsor, Ont., Canada N9B3P4 (Canada); Pires, A.M., E-mail: anapires@fct.unesp.br [Faculdade de Ciencias e Tecnologia, UNESP - Univ Estadual Paulista, Rua Roberto Simonsen, 305, 19060-900 Presidente Prudente, SP (Brazil)

    2012-11-15

    Highlights: Black-Right-Pointing-Pointer Hybrid film containing the cationic polyelectrolyte PAH and Y{sub 2}O{sub 3}: Er, Yb nanophosphor. Black-Right-Pointing-Pointer LbL film growth was monitored by absorbance x concentration in UV-Vis absorption. Black-Right-Pointing-Pointer FTIR indicated existence of secondary interactions between PAH - nanophosphor layers. Black-Right-Pointing-Pointer The morphology and the spatial distribution of the LbL film were analyzed by Raman. Black-Right-Pointing-Pointer We observed intense electronic emission lines from doping ions in the micro-Raman. - Abstract: The intensive research of the optical properties of rare-earth ions is due to the high quantum efficiency of their emission, very narrow bands, and excellent fluorescence monochromaticity. The photoluminescence data presented here show that the nanophosphor remains a green emitter in Layer-by-Layer (LbL) films leading to potential application in optical devices or biological labeling. The LbL technique, an established method for thin film fabrication with molecular architecture control, is used in the manufacture of a hybrid film containing the cationic polyelectrolyte poly (allylamine hydrochloride) (PAH) and Y{sub 2}O{sub 3}: Er, Yb nanophosphor. The spectroscopic properties of this luminescent nanomaterial are extracted from the spectral data of the powder, cast film and LbL films. The growth of the LbL film was monitored by absorbance versus concentration plots in ultraviolet-visible (UV-Vis) absorption spectroscopy. The presence of both PAH and nanophosphor in the LbL film was confirmed by Fourier transform infrared (FTIR) absorption spectroscopy. The FTIR data also ruled out the existence of chemical interactions between the PAH and nanophosphor layers, which means that secondary interactions (like Van der Waals forces) might be the driving forces for LbL film growth. The morphology and the spatial distribution of the LbL film components along the film surface were

  8. Noncovalent Intermolecular Interactions in Organic Electronic Materials: Implications for the Molecular Packing vs Electronic Properties of Acenes

    KAUST Repository

    Sutton, Christopher; Risko, Chad; Bredas, Jean-Luc

    2015-01-01

    Noncovalent intermolecular interactions, which can be tuned through the toolbox of synthetic chemistry, determine not only the molecular packing but also the resulting electronic, optical, and mechanical properties of materials derived from π

  9. Properties of short-range and long-range correlation energy density functionals from electron-electron coalescence

    International Nuclear Information System (INIS)

    Gori-Giorgi, Paola; Savin, Andreas

    2006-01-01

    The combination of density-functional theory with other approaches to the many-electron problem through the separation of the electron-electron interaction into a short-range and a long-range contribution is a promising method, which is raising more and more interest in recent years. In this work some properties of the corresponding correlation energy functionals are derived by studying the electron-electron coalescence condition for a modified (long-range-only) interaction. A general relation for the on-top (zero electron-electron distance) pair density is derived, and its usefulness is discussed with some examples. For the special case of the uniform electron gas, a simple parametrization of the on-top pair density for a long-range only interaction is presented and supported by calculations within the ''extended Overhauser model.'' The results of this work can be used to build self-interaction corrected short-range correlation energy functionals

  10. Hemostatic properties of the free-electron laser

    Energy Technology Data Exchange (ETDEWEB)

    Cram, G.P. Jr.; Copeland, M.L. [Department of Neurosurgery, Vanderbilt University Medical Center, Nashville, TN 37235 (United States)

    1998-09-02

    We have investigated the hemostatic properties of the free-electron laser (FEL) and compared these properties to the most commonly used commercial lasers in neurosurgery, CO{sub 2} and Nd:YAG, using an acute canine model. Arterial and venous vessels, of varying diameters from 0.1 to 1.0 mm, were divided with all three lasers. Analysis of five wavelengths of the FEL (3.0, 4.5, 6.1, 6.45, and 7.7 microns) resulted in bleeding without evidence of significant coagulation, regardless of whether the vessel was an artery or vein. Hemorrhage from vessels less than 0.4 mm diameter was subsequently easily controlled with Gelfoam registered (topical hemostatic agent) alone, whereas larger vessels required bipolar electrocautery. No significant charring, or contraction of the surrounding parenchyma was noted with any of the wavelengths chosen from FEL source. The CO{sub 2} laser, in continuous mode, easily coagulated vessels with diameters of 4 mm and less, while larger vessels displayed significant bleeding requiring bipolar electrocautery for control. Tissue charring was noted with application of the CO{sub 2} laser. In super pulse mode, the CO{sub 2} laser exhibited similar properties, including significant charring of the surrounding parenchyma. The Nd:YAG coagulated all vessels tested up to 1.4 mm, which was the largest diameter cortical artery found, however this laser displayed significant and extensive contraction and retraction of the surrounding parenchyma. In conclusion, the FEL appears to be a poor hemostatic agent. Our results did not show any benefit of the FEL over current conventional means of achieving hemostasis. However, control of hemorrhage was easily achieved with currently used methods of hemostasis, namely Gelfoam registered or bipolar electrocuatery. Although only cortical vessels in dogs were tested, we feel this data can be applied to all animals, including humans, and the peripheral, as well as central, vasculature, as our data on the CO{sub 2} and

  11. Hemostatic properties of the free-electron laser

    International Nuclear Information System (INIS)

    Cram, G.P. Jr.; Copeland, M.L.

    1998-01-01

    We have investigated the hemostatic properties of the free-electron laser (FEL) and compared these properties to the most commonly used commercial lasers in neurosurgery, CO 2 and Nd:YAG, using an acute canine model. Arterial and venous vessels, of varying diameters from 0.1 to 1.0 mm, were divided with all three lasers. Analysis of five wavelengths of the FEL (3.0, 4.5, 6.1, 6.45, and 7.7 microns) resulted in bleeding without evidence of significant coagulation, regardless of whether the vessel was an artery or vein. Hemorrhage from vessels less than 0.4 mm diameter was subsequently easily controlled with Gelfoam registered (topical hemostatic agent) alone, whereas larger vessels required bipolar electrocautery. No significant charring, or contraction of the surrounding parenchyma was noted with any of the wavelengths chosen from FEL source. The CO 2 laser, in continuous mode, easily coagulated vessels with diameters of 4 mm and less, while larger vessels displayed significant bleeding requiring bipolar electrocautery for control. Tissue charring was noted with application of the CO 2 laser. In super pulse mode, the CO 2 laser exhibited similar properties, including significant charring of the surrounding parenchyma. The Nd:YAG coagulated all vessels tested up to 1.4 mm, which was the largest diameter cortical artery found, however this laser displayed significant and extensive contraction and retraction of the surrounding parenchyma. In conclusion, the FEL appears to be a poor hemostatic agent. Our results did not show any benefit of the FEL over current conventional means of achieving hemostasis. However, control of hemorrhage was easily achieved with currently used methods of hemostasis, namely Gelfoam registered or bipolar electrocuatery. Although only cortical vessels in dogs were tested, we feel this data can be applied to all animals, including humans, and the peripheral, as well as central, vasculature, as our data on the CO 2 and Nd:YAG appear to closely

  12. Change in hydraulic properties and leaf traits of a tall rainforest tree species subjected to long-term throughfall exclusion in the perhumid tropics

    Science.gov (United States)

    Schuldt, B.; Leuschner, C.; Horna, V.; Moser, G.; Köhler, M.; Barus, H.

    2010-11-01

    In a throughfall displacement experiment on Sulawesi, Indonesia, three 0.16 ha stands of a premontane perhumid rainforest were exposed to a two-year soil desiccation period that reduced the soil moisture in the upper soil layers beyond the conventional wilting point. About 25 variables, including leaf morphological and chemical traits, stem diameter growth and hydraulic properties of the xylem in the trunk and terminal twigs, were investigated in trees of the tall-growing tree species Castanopsis acuminatissima (Fagaceae) by comparing desiccated roof plots with nearby control plots. We tested the hypotheses that this tall and productive species is particularly sensitive to drought, and the exposed upper sun canopy is more affected than the shade canopy. Hydraulic conductivity in the xylem of terminal twigs normalised to vessel lumen area was reduced by 25%, leaf area-specific conductivity by 10-33% during the desiccation treatment. Surprisingly, the leaves present at the end of the drought treatment were significantly larger, but not smaller in the roof plots, though reduced in number (about 30% less leaves per unit of twig sapwood area), which points to a drought effect on the leaf bud formation while the remaining leaves may have profited from a surplus of water. Mean vessel diameter and axial conductivity in the outermost xylem of the trunk were significantly reduced and wood density increased, while annual stem diameter increment decreased by 26%. In contradiction to our hypotheses, (i) we found no signs of major damage to the C. acuminatissima trees nor to any other drought sensitivity of tall trees, and (ii) the exposed upper canopy was not more drought susceptible than the shade canopy.

  13. Phonon spectra, electronic, and thermodynamic properties of WS2 nanotubes.

    Science.gov (United States)

    Evarestov, Robert A; Bandura, Andrei V; Porsev, Vitaly V; Kovalenko, Alexey V

    2017-11-15

    Hybrid density functional theory calculations are performed for the first time on the phonon dispersion and thermodynamic properties of WS 2 -based single-wall nanotubes. Symmetry analysis is presented for phonon modes in nanotubes using the standard (crystallographic) factorization for line groups. Symmetry and the number of infra-red and Raman active modes in achiral WS 2 nanotubes are given for armchair and zigzag chiralities. It is demonstrated that a number of infrared and Raman active modes is independent on the nanotube diameter. The zone-folding approach is applied to find out an impact of curvature on electron and phonon band structure of nanotubes rolled up from the monolayer. Phonon frequencies obtained both for layers and nanotubes are used to compute the thermal contributions to their thermodynamic functions. The temperature dependences of energy, entropy, and heat capacity of nanotubes are estimated with respect to those of the monolayer. The role of phonons in the stability estimation of nanotubes is discussed based on Helmholtz free energy calculations. © 2017 Wiley Periodicals, Inc. © 2017 Wiley Periodicals, Inc.

  14. Improvement in properties of plastic teeth by electron beam irradiation

    International Nuclear Information System (INIS)

    Sano, Yuko; Ishikawa, Shun-ichi; Seguchi, Tadao

    2011-01-01

    Improvement of the comfort and esthetics of artificial plastic teeth is desirable for the recently increasing numbers of elderly in society. Plastic teeth made of polycarbonate (PC) were modified by electron beam (EB) irradiation under specific conditions, and the change in the chemical properties of the PC was investigated. The water absorption, glucose attachment, level of bis-phenol-A (BPA) extraction, maltose adhesion, and mucin adhesion on the PC teeth were measured before and after EB irradiation. EB irradiation to a dose of 3.5 kGy at 150 o C in a nitrogen gas atmosphere reduced the water absorption by 20%, glucose absorption by 40%, maltose adhesion by 20%, and the amount of various amino acids, formed as the hydrolysis products of mucin, adhering on the PC teeth were reduced by 60-99%. The BPA content was lower than the detection limit for analysis of both the original and the EB irradiated PC teeth. - Highlights: → Radiation improvement of polycarbonate for plastic teeth by EB irradiation 3.5 kGy at 150 o C in inert gas. → Water and glucose absorption and maltose adhesion on PC teeth were much reduced. → Bis-phenol-A content from PC teeth was lower than the detection limit after irradiation.

  15. Structure, electronic properties, and aggregation behavior of hydroxylated carbon nanotubes

    Energy Technology Data Exchange (ETDEWEB)

    López-Oyama, A. B.; Silva-Molina, R. A.; Ruíz-García, J.; Guirado-López, R. A., E-mail: guirado@ifisica.uaslp.mx [Instituto de Física “Manuel Sandoval Vallarta,” Universidad Autónoma de San Luis Potosí, Álvaro Obregón 64, 78000 San Luis Potosí, San Luis Potosí (Mexico); Gámez-Corrales, R. [Departamento de Física, Universidad de Sonora, Apartado Postal 5-088, 83190, Hermosillo, Sonora (Mexico)

    2014-11-07

    We present a combined experimental and theoretical study to analyze the structure, electronic properties, and aggregation behavior of hydroxylated multiwalled carbon nanotubes (OH–MWCNT). Our MWCNTs have average diameters of ∼2 nm, lengths of approximately 100–300 nm, and a hydroxyl surface coverage θ∼0.1. When deposited on the air/water interface the OH–MWCNTs are partially soluble and the floating units interact and link with each other forming extended foam-like carbon networks. Surface pressure-area isotherms of the nanotube films are performed using the Langmuir balance method at different equilibration times. The films are transferred into a mica substrate and atomic force microscopy images show that the foam like structure is preserved and reveals fine details of their microstructure. Density functional theory calculations performed on model hydroxylated carbon nanotubes show that low energy atomic configurations are found when the OH groups form molecular islands on the nanotube's surface. This patchy behavior for the OH species is expected to produce nanotubes having reduced wettabilities, in line with experimental observations. OH doping yields nanotubes having small HOMO–LUMO energy gaps and generates a nanotube → OH direction for the charge transfer leading to the existence of more hole carriers in the structures. Our synthesized OH–MWCNTs might have promising applications.

  16. Properties of TBCCO 2212 thin films for electronic applications

    International Nuclear Information System (INIS)

    Andreone, A.; Cassinese, A.; Palomba, F.; Pica, G.; Salluzzo, M.; Malandrino, G.; Ancarani, V.; Fragala, I.L.

    1999-01-01

    The authors report on the synthesis and structural and electrical characterization of high quality Tl 2 Ba 2 Ca 1 Cu 2 O x superconducting thin films. The samples have been prepared ex-situ by a combined approach of metal-Organic Chemical Vapor Deposition (MOCVD) and thallium vapor diffusion. The films have been grown on 10x10 mm 2 (100) LaAlO 3 substrates. X-ray diffraction (XRD), Scanning Electron Microscopy (SEM) and Energy Dispersive X-ray analyses (EDX) have investigated the morphological and compositional nature of the films. The transport properties have been measured using both a four-probes and an inductive method. The highest critical temperature and critical current density are 104 K and 1 x 10 6 A/cm 2 respectively. The microwave response of two samples has been studied using a microstrip resonator technique. The best surface resistance values are below 200 μΩ at 1.2 GHz and 4.2 K. Measurements of the field dependence of the surface resistance have been performed

  17. Electronic structure, phase transitions and diffusive properties of elemental plutonium

    Science.gov (United States)

    Setty, Arun; Cooper, B. R.

    2003-03-01

    We present a SIC-LDA-LMTO based study of the electronic structure of the delta, alpha and gamma phases of plutonium, and also of the alpha and gamma phases of elemental cerium. We find excellent agreement with the experimental densities and magnetic properties [1]. Furthermore, detailed studies of the computational densities of states for delta plutonium, and comparison with the experimental photoemission spectrum [2], provide evidence for the existence of an unusual fluctuating valence state. Results regarding the vacancy formation and self-diffusion in delta plutonium will be presented. Furthermore, a study of interface diffusion between plutonium and steel (technologically relevant in the storage of spent fuel) or other technologically relevant alloys will be included. Preliminary results regarding gallium stabilization of delta plutonium, and of plutonium alloys will be presented. [1] M. Dormeval et al., private communication (2001). [2] A. J. Arko, J. J. Joyce, L. Morales, J. Wills, and J. Lashley et. al., Phys. Rev. B, 62, 1773 (2000). [3] B. R. Cooper et al, Phil. Mag. B 79, 683 (1999); B.R. Cooper, Los Alamos Science 26, 106 (2000)); B.R. Cooper, A.K. Setty and D.L.Price, to be published.

  18. Structural phase transition and electronic properties in samarium chalcogenides

    Energy Technology Data Exchange (ETDEWEB)

    Panwar, Y. S., E-mail: yspanwar2011@gmail.com [Department of Physics, Govt. New Science College Dewas-455001 (India); Aynyas, Mahendra [Department of Physics, C.S.A. Govt. P.G. College, Sehore, 466001 (India); Pataiya, J.; Sanyal, Sankar P. [Department of Physics, Barkatullah University, Bhopal, 462026 (India)

    2016-05-06

    The electronic structure and high pressure properties of samarium monochalcogenides SmS, SmSe and SmTe have been reported by using tight binding linear muffin-tin-orbital (TB-LMTO) method within the local density approximation (LDA). The total energy as a function of volume is evaluated. It is found that these monochalcogenides are stable in NaCl-type structure under ambient pressure. We predict a structural phase transition from NaCl-type (B{sub 1}-phase) structure to CsCl-type (B{sub 2}-type) structure for these compounds. Phase transition pressures were found to be 1.7, 4.4 and 6.6 GPa, for SmS, SmSe and SmTe respectively. Apart from this, the lattice parameter (a{sub 0}), bulk modulus (B{sub 0}), band structure (BS) and density of states (DOS) are calculated. From energy band diagram we observed that these compounds exhibit metallic character. The calculated values of equilibrium lattice parameter and phase transition pressure are in general good agreement with available data.

  19. Dynamical photo-induced electronic properties of molecular junctions

    Science.gov (United States)

    Beltako, K.; Michelini, F.; Cavassilas, N.; Raymond, L.

    2018-03-01

    Nanoscale molecular-electronic devices and machines are emerging as promising functional elements, naturally flexible and efficient, for next-generation technologies. A deeper understanding of carrier dynamics in molecular junctions is expected to benefit many fields of nanoelectronics and power devices. We determine time-resolved charge current flowing at the donor-acceptor interface in molecular junctions connected to metallic electrodes by means of quantum transport simulations. The current is induced by the interaction of the donor with a Gaussian-shape femtosecond laser pulse. Effects of the molecular internal coupling, metal-molecule tunneling, and light-donor coupling on photocurrent are discussed. We then define the time-resolved local density of states which is proposed as an efficient tool to describe the absorbing molecule in contact with metallic electrodes. Non-equilibrium reorganization of hybridized molecular orbitals through the light-donor interaction gives rise to two phenomena: the dynamical Rabi shift and the appearance of Floquet-like states. Such insights into the dynamical photoelectronic structure of molecules are of strong interest for ultrafast spectroscopy and open avenues toward the possibility of analyzing and controlling the internal properties of quantum nanodevices with pump-push photocurrent spectroscopy.

  20. Electronic structure properties of deep defects in hBN

    Science.gov (United States)

    Dev, Pratibha; Prdm Collaboration

    In recent years, the search for room-temperature solid-state qubit (quantum bit) candidates has revived interest in the study of deep-defect centers in semiconductors. The charged NV-center in diamond is the best known amongst these defects. However, as a host material, diamond poses several challenges and so, increasingly, there is an interest in exploring deep defects in alternative semiconductors such as hBN. The layered structure of hBN makes it a scalable platform for quantum applications, as there is a greater potential for controlling the location of the deep defect in the 2D-matrix through careful experiments. Using density functional theory-based methods, we have studied the electronic and structural properties of several deep defects in hBN. Native defects within hBN layers are shown to have high spin ground states that should survive even at room temperature, making them interesting solid-state qubit candidates in a 2D matrix. Partnership for Reduced Dimensional Material (PRDM) is part of the NSF sponsored Partnerships for Research and Education in Materials (PREM).

  1. Magnetostructural, mechanical and electronic properties of manganese tetraboride

    Directory of Open Access Journals (Sweden)

    Yongcheng Liang

    2015-11-01

    Full Text Available Magnetostructural stabilities, mechanical behaviors and electronic structures of various phases of manganese tetraboride (MnB4 have been investigated systematically by density functional theory (DFT based first-principles methods. It is found that MnB4 undergoes temperature-induced phase transitions from the nonmagnetic (NM monoclinic mP20 structure to the ferromagnetic (FM orthorhombic oP10 structure at 438 K, then to the antiferromagnetic (AFM orthorhombic oP10 structure at 824 K. We reveal that the NM insulating mP20 phase stabilizes by the Peierls distortion breaking the structural degeneracy, while the FM and AFM metallic oP10 phases stabilize by the Stoner magnetism lifting the spin degeneracy. Furthermore, the calculated mechanical properties show that the NM mP20, FM oP10, and AFM oP10 phases exhibit low compressibility and high hardness, which originate from their three-dimensional covalent boron networks. Therefore, this unique temperature-assisted insulator-metal transition, strong stiffness and high hardness suggest that MnB4 may find promising technological applications as thermoelectric switches and field effect transistors at the extreme conditions.

  2. Optical properties of electron-irradiated gallium phosphide

    International Nuclear Information System (INIS)

    Brailovskii, E.Yu.; Grigoryan, N.E.; Eritsyan, G.N.

    1980-01-01

    Results of optical absorption and photoconductivity measurements in the 0.1 to 2.4 eV range of GaP crystals irradiated with 7.5 and 50 MeV electrons are presented. The absorption of irradiated crystals near the edge can be represented by two exponential regions. In the free carrier absorption region one can observe as a result of irradiation a decrease of the power index p in the dependence α proportional to lambdap. Photoconductivity with long-time relaxation takes place in the spectral interval where the additional absorption is observed. The quenching of residual conductivity can be observed at hν=1.0eV. Variations in absorption and photoconductivity are attributed to the 'tails' of density states near the zone edges arising at introduction of both point defects and disordered regions. At hν=2.1eV one can observe a resonance band which is attributed to intra-centre transitions on point defects. A recovery of the optical properties of GaP at annealing is studied. In heavily irradiated GaP crystals point defects can form gatherings which display themselves as disordered regions. (author)

  3. Analysis of INDOT current hydraulic policies : [technical summary].

    Science.gov (United States)

    2011-01-01

    Hydraulic design often tends to be on a conservative side for safety reasons. Hydraulic structures are typically oversized with the goal being reduced future maintenance costs, and to reduce the risk of property owner complaints. This approach leads ...

  4. Electronic properties of interfaces produced by silicon wafer hydrophilic bonding

    Energy Technology Data Exchange (ETDEWEB)

    Trushin, Maxim

    2011-07-15

    The thesis presents the results of the investigations of electronic properties and defect states of dislocation networks (DNs) in silicon produced by wafers direct bonding technique. A new insight into the understanding of their very attractive properties was succeeded due to the usage of a new, recently developed silicon wafer direct bonding technique, allowing to create regular dislocation networks with predefined dislocation types and densities. Samples for the investigations were prepared by hydrophilic bonding of p-type Si (100) wafers with same small misorientation tilt angle ({proportional_to}0.5 ), but with four different twist misorientation angles Atw (being of < , 3 , 6 and 30 , respectively), thus giving rise to the different DN microstructure on every particular sample. The main experimental approach of this work was the measurements of current and capacitance of Schottky diodes prepared on the samples which contained the dislocation network at a depth that allowed one to realize all capabilities of different methods of space charge region spectroscopy (such as CV/IV, DLTS, ITS, etc.). The key tasks for the investigations were specified as the exploration of the DN-related gap states, their variations with gradually increasing twist angle Atw, investigation of the electrical field impact on the carrier emission from the dislocation-related states, as well as the establishing of the correlation between the electrical (DLTS), optical (photoluminescence PL) and structural (TEM) properties of DNs. The most important conclusions drawn from the experimental investigations and theoretical calculations can be formulated as follows: - DLTS measurements have revealed a great difference in the electronic structure of small-angle (SA) and large-angle (LA) bonded interfaces: dominating shallow level and a set of 6-7 deep levels were found in SA-samples with Atw of 1 and 3 , whereas the prevalent deep levels - in LA-samples with Atw of 6 and 30 . The critical twist

  5. Electron donating and acid-base properties of cerium oxide and its mixed oxides with alumina

    International Nuclear Information System (INIS)

    Sugunan, S.; Jalaja, J.M.

    1994-01-01

    The electron donating properties of cerium oxide activated at 300, 500 and 800 degC and of its mixed oxides with alumina were examined based on the adsorption of electron acceptors exhibiting different electron affinities. The surface acidity/basicity of the oxides was determined by titrimetry; the H 0,max values are given. The limit of electron transfer from the oxide surface lies within the region of 1.77 and 2.40 eV in terms of the electron affinity of the electron acceptor. Cerium oxide promotes the electron donor nature of alumina while leaving the limit of electron transfer unchanged. 2 tabs., 4 figs., 13 refs

  6. Research of the Electron Cyclotron Emission with Vortex Property excited by high power high frequency Gyrotron

    Science.gov (United States)

    Goto, Yuki; Kubo, Shin; Tsujimura, Tohru; Takubo, Hidenori

    2017-10-01

    Recently, it has been shown that the radiation from a single electron in cyclotron motion has vortex property. Although the cyclotron emission exists universally in nature, the vortex property has not been featured because this property is normally cancelled out due to the randomness in gyro-phase of electrons and the development of detection of the vortex property has not been well motivated. In this research, we are developing a method to generate the vortex radiation from electrons in cyclotron motion with controlled gyro-phase. Electron that rotates around the uniform static magnetic field is accelerated by right-hand circular polarized (RHCP) radiation resonantly when the cyclotron frequency coincides with the applied RHCP radiation frequency. A large number of electrons can be coherently accelerated in gyro-phase by a RHCP high power radiation so that these electrons can radiate coherent emission with vortex feature. We will show that vortex radiation created by purely rotating electrons for the first time.

  7. Electronic properties of assemblies of zno quantum dots

    NARCIS (Netherlands)

    Roest, Aarnoud Laurens

    2003-01-01

    Electron transport in an assembly of ZnO quantum dots has been studied using an electrochemically gated transistor. The electron mobility shows a step-wise increase as a function of the electron occupation per quantum dot. When the occupation number is below two, transport occurs by tunnelling

  8. NMR studies of actinide carbide and nitride electronic properties

    International Nuclear Information System (INIS)

    Boutard, Jean-Louis

    1976-12-01

    N.M.R. studies applied to 13 C and 15 N in the solid solutions ThCsub(1-x)Nsub(x), UCsub(1-x)Nsub(x) and in the compounds ThCsub(1-x) and U 2 C 3 , were undertaken to study carbon and nitrogen contribution to chemical bonds and magnetism. For THORIUM MONOCARBIDE AND CARBONITRIDE: ThCsub(1-x) and ThCsub(1-x)Nsub(x), the very strong orbital contribution to the frequency shift reveals an important covalent character of the valence band 6d metal and 2p metalloid states. The ThCsub(1-x) band structure stoichiometry variation is due to 6dγ metal states appearing at the Fermi level and is in-opposition to a rigid band model. A non-saturated bond mechanism is suggested. For URANIUM CARBONITRIDE: UCsub(1-x)Nsub(x), in the concentration range in which no magnetic order appears at low temperature (x<0.90), the results are in opposition to a localized 5f 2 configuration model, and show that the uranium fundamental state is non-magnetic. Nevertheless two qualitatively different behaviors exist: nitrogen concentration lower than 40%: and nitrogen concentration higher than 40%. A model is proposed to account for those domains: it relies on the 5f-2p hybridization parameter which is maximum on 2p band edge (UC) and almost nul for UN. For URANIUM SESQUICARBIDE: U 2 C 3 : the N.M.R. line observation at 4.2 K indicates a non-magnetic fundamental state although the magnetic susceptibility presents a maximum at 60 K. Spin fluctuations in 5f bands are proposed to describe the electronic properties of this compound. [fr

  9. Postwildfire measurement of soil physical and hydraulic properties at selected sampling sites in the 2011 Las Conchas wildfire burn scar, Jemez Mountains, north-central New Mexico

    Science.gov (United States)

    Romero, Orlando C.; Ebel, Brian A.; Martin, Deborah A.; Buchan, Katie W.; Jornigan, Alanna D.

    2018-04-10

    The generation of runoff and the resultant flash flooding can be substantially larger following wildfire than for similar rainstorms that precede wildfire disturbance. Flash flooding after the 2011 Las Conchas Fire in New Mexico provided the motivation for this investigation to assess postwildfire effects on soil-hydraulic properties (SHPs) and soil-physical properties (SPPs) as a function of remotely sensed burn severity 4 years following the wildfire. A secondary purpose of this report is to illustrate a methodology to determine SHPs that analyzes infiltrometer data by using three different analysis methods. The SPPs and SHPs are measured as a function of remotely sensed burn severity by using the difference in the Normalized Burn Ratio (dNBR) metric for seven sites. The dNBR metric was used to guide field sample collection across a full spectrum of burn severities that covered the range of Monitoring Trends in Burn Severity (MTBS) and Burned Area Reflectance Classification (BARC) thematic classes from low to high severity. The SPPs (initial and saturated soil-water content, bulk density, soil-organic matter, and soil-particle size) and SHPs (field-saturated hydraulic conductivity and sorptivity) were measured under controlled laboratory conditions for soil cores collected in the field. The SHPs were estimated by using tension infiltrometer measurements and three different data analysis methods. These measurements showed large effects of burn severity, focused in the top1 centimeter (cm) of soil, on some SPPs (bulk density, soil organic matter, and particle sizes). The threshold of these bulk density and soil organic matter effects was between 300 and 400 dNBR, which corresponds to a MTBS thematic class between moderate and high burn severity and a BARC4 thematic class of high severity. Gravel content and the content of fines in the top 1 cm of soil had a higher threshold value between 450 and 500 dNBR. Lesser effects on SPPs were observed at depths of 1–3 cm

  10. Electronic Structure and Optical Properties Of EuIn2P2

    KAUST Repository

    Singh, Nirpendra

    2011-10-25

    The electronic structures and, optical and magneto‐optical properties of a newly found Zintl compound EuIn2P2 have been investigated within the density‐functional theory using the highly precise full‐potential linear‐augmented‐plane‐wave method. Results of detailed investigation of the electronic structure and related properties are reported.

  11. Electronic transport properties of pentacene single crystals upon exposure to air

    NARCIS (Netherlands)

    Jurchescu, OD; Baas, J; Palstra, TTM; Jurchescu, Oana D.

    2005-01-01

    We report the effect of air exposure on the electronic properties of pentacene single crystals. Air can diffuse reversibly in and out of the crystals and influences the physical properties. We discern two competing mechanisms that modulate the electronic transport. The presence of oxygen increases

  12. Electronic properties in a quantum well structure of Weyl semimetal

    International Nuclear Information System (INIS)

    You, Wen-Long; Zhou, Jiao-Jiao; Wang, Xue-Feng; Oleś, Andrzej M.

    2016-01-01

    We investigate the confined states and transport of three-dimensional Weyl electrons around a one-dimensional external rectangular electrostatic potential. The confined states with finite transverse wave vector exist at energies higher than the half well depth or lower than the half barrier height. The rectangular potential appears completely transparent to the normal incident electrons but not otherwise. The tunneling transmission coefficient is sensitive to their incident angle and shows resonant peaks when their energy coincides with the confined spectra. In addition, for the electrons in the conduction (valence) band through a potential barrier (well), the transmission spectrum has a gap of width increasing with the incident angle. Interestingly, the electron linear zero-temperature conductance over the potential can approach zero when the Fermi energy is aligned to the top and bottom energies of the potential, when only electron beams normal to the potential interfaces can pass through. The considered structure can be used to collimate the Weyl electron beams.

  13. Deducing Electron Properties from Hard X-Ray Observations

    Science.gov (United States)

    Kontar, E. P.; Brown, J. C.; Emslie, A. G.; Hajdas, W.; Holman, G. D.; Hurford, G. J.; Kasparova, J.; Mallik, P. C. V.; Massone, A. M.; McConnell, M. L.; hide

    2011-01-01

    X-radiation from energetic electrons is the prime diagnostic of flare-accelerated electrons. The observed X-ray flux (and polarization state) is fundamentally a convolution of the cross-section for the hard X-ray emission process(es) in question with the electron distribution function, which is in turn a function of energy, direction, spatial location and time. To address the problems of particle propagation and acceleration one needs to infer as much information as possible on this electron distribution function, through a deconvolution of this fundamental relationship. This review presents recent progress toward this goal using spectroscopic, imaging and polarization measurements, primarily from the Reuven Ramaty High Energy Solar Spectroscopic Imager (RHESSI). Previous conclusions regarding the energy, angular (pitch angle) and spatial distributions of energetic electrons in solar flares are critically reviewed. We discuss the role and the observational evidence of several radiation processes: free-free electron-ion, free-free electron-electron, free-bound electron-ion, photoelectric absorption and Compton backscatter (albedo), using both spectroscopic and imaging techniques. This unprecedented quality of data allows for the first time inference of the angular distributions of the X-ray-emitting electrons and improved model-independent inference of electron energy spectra and emission measures of thermal plasma. Moreover, imaging spectroscopy has revealed hitherto unknown details of solar flare morphology and detailed spectroscopy of coronal, footpoint and extended sources in flaring regions. Additional attempts to measure hard X-ray polarization were not sufficient to put constraints on the degree of anisotropy of electrons, but point to the importance of obtaining good quality polarization data in the future.

  14. Electronic properties of asymmetrical quantum dots dressed by laser field

    Energy Technology Data Exchange (ETDEWEB)

    Kibis, O.V. [Department of Applied and Theoretical Physics, Novosibirsk State Technical University, Karl Marx Avenue 20, 630092 Novosibirsk (Russian Federation); Slepyan, G.Ya.; Maksimenko, S.A. [Institute for Nuclear Problems, Belarus State University, Bobruyskaya St. 11, 220050 Minsk (Belarus); Hoffmann, A. [Institut fuer Festkoerperphysik, Technische Universitaet Berlin, Hardenbergstrasse 36, 10623 Berlin (Germany)

    2012-05-15

    In the present paper, we demonstrate theoretically that the strong non-resonant interaction between asymmetrical quantum dots (QDs) and a laser field results in harmonic oscillations of their band gap. It is shown that such oscillations change the spectrum of elementary electron excitations in QDs: in the absence of the laser pumping there is only one resonant electron frequency, but QDs dressed by the laser field have a set of electron resonant frequencies. One expects that this modification of elementary electron excitations in QDs can be observable in optical experiments. (Copyright copyright 2012 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  15. Electronic structure and chemical properties of superheavy elements

    Energy Technology Data Exchange (ETDEWEB)

    Pershina, V [Gesellschaft fuer Schwerionenforschung (GSI), Helmholtzzentrum fuer Schwerionenforschung Gmbh (Germany)

    2009-12-31

    Relativistic electronic structure calculations of superheavy elements (Z>=104) are analyzed. Preference is given to those related to experimental research. The role of relativistic effects is discussed.

  16. Pore scale modelling of electrical and hydraulic properties of a semi-consolidated sandstone under unsaturated conditions

    Science.gov (United States)

    Cassiani, G.; dalla, E.; Brovelli, A.; Pitea, D.; Binley, A. M.

    2003-04-01

    The development of reliable constitutive laws to translate geophysical properties into hydrological ones is the fundamental step for successful applications of hydrogeophysical techniques. Many such laws have been proposed and applied, particularly with regard to two types of relationships: (a) between moisture content and dielectric properties, and (b) between electrical resistivity, rock structure and water saturation. The classical Archie's law belongs to this latter category. Archie's relationship has been widely used, starting from borehole logs applications, to translate geoelectrical measurements into estimates of saturation. However, in spite of its popularity, it remains an empirical relationship, the parameters of which must be calibrated case by case, e.g. on laboratory data. Pore-scale models have been recently recognized and used as powerful tools to investigate the constitutive relations of multiphase soils from a pore-scale point of view, because they bridge the microscopic and macroscopic scales. In this project, we develop and validate a three-dimensional pore-scale method to compute electrical properties of unsaturated and saturated porous media. First we simulate a random packing of spheres [1] that obeys the grain-size distribution and porosity of an experimental porous medium system; then we simulate primary drainage with a morphological approach [2]; finally, for each state of saturation during the drainage process, we solve the electrical conduction equation within the grain structure with a new numerical model and compute the apparent electrical resistivity of the porous medium. We apply the new method to a semi-consolidated Permo-Triassic Sandstone from the UK (Sherwood Sandstone) for which both pressure-saturation (Van Genuchten) and Archie's law parameters have been measured on laboratory samples. A comparison between simulated and measured relationships has been performed.

  17. Electronic transport properties of 4f shell elements of liquid metal using hard sphere Yukawa system

    Science.gov (United States)

    Patel, H. P.; Sonvane, Y. A.; Thakor, P. B.

    2018-04-01

    The electronic transport properties are analyzed for 4f shell elements of liquid metals. To examine the electronic transport properties like electrical resistivity (ρ), thermal conductivity (σ) and thermo electrical power (Q), we used our own parameter free model potential with the Hard Sphere Yukawa (HSY) reference system. The screening effect on aforesaid properties has been examined by using different screening functions like Hartree (H), Taylor (T) and Sarkar (S). The correlations of our resultsand other data with available experimental values are intensely promising. Also, we conclude that our newly constructed parameter free model potential is capable of explaining the above mentioned electronic transport properties.

  18. Electronic properties of T graphene-like C-BN sheets: A density functional theory study

    Science.gov (United States)

    Majidi, R.

    2015-11-01

    We have used density functional theory to study the electronic properties of T graphene-like C, C-BN and BN sheets. The planar T graphene with metallic property has been considered. The results show that the presence of BN has a considerable effect on the electronic properties of T graphene. The T graphene-like C-BN and BN sheets show semiconducting properties. The energy band gap is increased by enhancing the number of BN units. The possibility of opening and controlling band gap opens the door for T graphene in switchable electronic devices.

  19. Electronic and magnetic properties of UPdSn: the itinerant 5f electrons approach

    CERN Document Server

    Sandratskii, L M

    1997-01-01

    Density functional theory, modified to include spin-orbit coupling and an effective orbital field to simulate Hound's second rule, is applied to investigate the magnetic structure and electronic properties of the compound Upends. Our theoretical results are in overall good agreement with experiment. Thus both theory and experiment find the magnetic structure of Upends to be non collinear, the calculated magnetic U-moments being in very good agreement with the measurements. Also, the calculated density of states is found to simulate closely the photoemission spectrum and the very low experimental value of 5 mJ mol sup - sup 1 K sup - sup 2 for the specific heat gamma is reproduced reasonably well by the calculated value of 7.5 mJ mol sup - sup 1 K sup - sup 2. Furthermore, the interconnection of the magnetic structure with the crystal structure is investigated. Here theory and experiment agree concerning the planar non collinear antiferromagnetic configuration in the orthorhombic crystal structure and for the ...

  20. Electronic properties of Mn-phthalocyanine–C60 bulk heterojunctions: Combining photoemission and electron energy-loss spectroscopy

    International Nuclear Information System (INIS)

    Roth, Friedrich; Herzig, Melanie; Knupfer, Martin; Lupulescu, Cosmin; Darlatt, Erik; Gottwald, Alexander; Eberhardt, Wolfgang

    2015-01-01

    The electronic properties of co-evaporated mixtures (blends) of manganese phthalocyanine and the fullerene C 60 (MnPc:C 60 ) have been studied as a function of the concentration of the two constituents using two supplementary electron spectroscopic methods, photoemission spectroscopy (PES) and electron energy-loss spectroscopy (EELS) in transmission. Our PES measurements provide a detailed picture of the electronic structure measured with different excitation energies as well as different mixing ratios between MnPc and C 60 . Besides a relative energy shift, the occupied electronic states of the two materials remain essentially unchanged. The observed energy level alignment is different compared to that of the related CuPc:C 60 bulk heterojunction. Moreover, the results from our EELS investigations show that, despite the rather small interface interaction, the MnPc related electronic excitation spectrum changes significantly by admixing C 60 to MnPc thin films

  1. Electronic structure and optical properties of thorium monopnictides

    Indian Academy of Sciences (India)

    We have calculated the electronic density of states (DOS) and dielectric function for the ThX (X = P, As and Sb) using the linear muffin tin orbital method within atomic sphere approximation (LMTO–ASA) including the combined correction terms. The calculated electronic DOS of ThSb has been compared with the available ...

  2. Electronic structure and equilibrium properties of hcp titanium

    Indian Academy of Sciences (India)

    The electronic structures of hexagonal-close-packed divalent titanium (3-d) and zirconium (4-d) transition metals are studied by using a non-local model potential method. From the present calculation of energy bands, Fermi energy, density of states and the electronic heat capacity of these two metals are determined and ...

  3. Effect of heat treatment upon the mechanical and poro-mechanical behaviour of cement-based materials: hydraulic properties and morphological changes

    International Nuclear Information System (INIS)

    Chen, Xiao-Ting

    2009-01-01

    This work investigates the effects of morphological changes of a cement-based material subjected to heat treatment (up to 400 C). For a model W/C=0.5 mortar, we have characterized experimentally hydraulic behaviour (gas permeability), mechanical behaviour (in uniaxial compression, hydrostatic compression with or without deviatoric stress) and poro-mechanical behaviour (incompressibility moduli Kb, Ks and Biot's coefficient b) after a heating/cooling cycle. We have also developed an original experiment aimed at quantifying the accessible pore space volume under hydrostatic compression. The creation of occluded porosity under high confinement is confirmed, which justifies the observed decrease of solid matrix rigidity Ks under high confinement. A gas retention phenomenon was identified under simultaneous thermal and hydrostatic loadings for mortar, and industrial concretes (provided by CERIB and ANDRA). A predictive thermo-elasto-plastic model with isotropic damage and a micro-mechanical approach, which represents micro-cracking, are coupled in order to analyze or predict the evolution of mechanical and poro-elastic properties after heat cycling. (author)

  4. Hydraulic Properties of Closely Spaced Dipping Open Fractures Intersecting a Fluid-Filled Borehole Derived From Tube Wave Generation and Scattering

    Science.gov (United States)

    Minato, Shohei; Ghose, Ranajit; Tsuji, Takeshi; Ikeda, Michiharu; Onishi, Kozo

    2017-10-01

    Fluid-filled fractures and fissures often determine the pathways and volume of fluid movement. They are critically important in crustal seismology and in the exploration of geothermal and hydrocarbon reservoirs. We introduce a model for tube wave scattering and generation at dipping, parallel-wall fractures intersecting a fluid-filled borehole. A new equation reveals the interaction of tube wavefield with multiple, closely spaced fractures, showing that the fracture dip significantly affects the tube waves. Numerical modeling demonstrates the possibility of imaging these fractures using a focusing analysis. The focused traces correspond well with the known fracture density, aperture, and dip angles. Testing the method on a VSP data set obtained at a fault-damaged zone in the Median Tectonic Line, Japan, presents evidences of tube waves being generated and scattered at open fractures and thin cataclasite layers. This finding leads to a new possibility for imaging, characterizing, and monitoring in situ hydraulic properties of dipping fractures using the tube wavefield.

  5. First principle study of structural, electronic and fermi surface properties of aluminum praseodymium

    Science.gov (United States)

    Shugani, Mani; Aynyas, Mahendra; Sanyal, S. P.

    2018-05-01

    We present a structural, Electronic and Fermi surface properties of Aluminum Praseodymium (AlPr) using First-principles density functional calculation by using full potential linearized augmented plane wave (FP-LAPW) method within generalized gradient approximation (GGA). The ground state properties along with electronic and Fermi surface properties are studied. It is found that AlPr is metallic and the bonding between Al and Pr is covalent.

  6. New pbysical methods used in the study of composition, electronic properties and surface phenomena of solid substances. I. Electronic spectroscopies

    International Nuclear Information System (INIS)

    Toderean, A; Ilonca, Gh.

    1981-01-01

    The discovery of different kinds of interactions between solids and fotonic, respectively electronic and ionic beams, leads to the development of many new, very sensitive, physical methods for the study of solids. This monograph tries to present some of these methods, useful in compositional analysis, in the study of electronic properties and of the surface processes of solid substances. This is done from the point of view both of physical phenomena underlying them and of the information obtainable with such methods. But the whole monograph is limited only to the methods based on the electronic properties of the elements existing in the solid probes studied and this paper presents only those of them in which the detected beam is an electronic one, like: ELS, DAPS, ILS, AES, AEAPS, INS, TSS, XPS and UPS. (authors)

  7. Electronic structure and properties of rare earth and actinide intermetallics

    International Nuclear Information System (INIS)

    Kirchmayr, H.R.

    1984-01-01

    There are 188 contributions, experimental and theoretical, a few on rare earth and actinide elements but mostly on rare earth and actinide intermetallic compounds and alloys. The properties dealt with include 1) crystal structure, 2) magnetic properties and magnetic structure, 3) magnetic phase transformations and valence fluctuations, 4) electrical properties and superconductivity and their temperature, pressure and magnetic field dependence. A few papers deal with crystal growth and novel measuring methods. (G.Q.)

  8. Stability, electronic and thermodynamic properties of aluminene from first-principles calculations

    International Nuclear Information System (INIS)

    Yuan, Junhui; Yu, Niannian; Xue, Kanhao; Miao, Xiangshui

    2017-01-01

    Highlights: • We have predicted two NEW stable phases of atomic layer aluminum, buckled and 8-Pmmn aluminene. • We have revealed the electronic structures and bonding characteristics of aluminene. • Thermodynamic properties of aluminene were investigated based on phonon properties. - Abstract: Using first-principles calculations based on density functional theory (DFT), we have investigated the structure stability and electronic properties of both buckled and 8-Pmmn phase aluminene. Phonon dispersion analysis reveals that the buckled and 8-Pmmn aluminene are dynamically stable. The band structure shows that both the buckled and 8-Pmmn aluminene exhibit metallic behavior. Finally, the thermodynamic properties are investigated based on phonon properties.

  9. Stability, electronic and thermodynamic properties of aluminene from first-principles calculations

    Energy Technology Data Exchange (ETDEWEB)

    Yuan, Junhui [School of Optical and Electronic Information, Huazhong University of Science and Technology, Wuhan, Hubei 430074 (China); Yu, Niannian [School of Science, Wuhan University of Technology, Wuhan, Hubei 430070 (China); Xue, Kanhao, E-mail: xkh@hust.edu.cn [School of Optical and Electronic Information, Huazhong University of Science and Technology, Wuhan, Hubei 430074 (China); Miao, Xiangshui [School of Optical and Electronic Information, Huazhong University of Science and Technology, Wuhan, Hubei 430074 (China)

    2017-07-01

    Highlights: • We have predicted two NEW stable phases of atomic layer aluminum, buckled and 8-Pmmn aluminene. • We have revealed the electronic structures and bonding characteristics of aluminene. • Thermodynamic properties of aluminene were investigated based on phonon properties. - Abstract: Using first-principles calculations based on density functional theory (DFT), we have investigated the structure stability and electronic properties of both buckled and 8-Pmmn phase aluminene. Phonon dispersion analysis reveals that the buckled and 8-Pmmn aluminene are dynamically stable. The band structure shows that both the buckled and 8-Pmmn aluminene exhibit metallic behavior. Finally, the thermodynamic properties are investigated based on phonon properties.

  10. Relativistic effects on inner-shell electron properties

    International Nuclear Information System (INIS)

    Desclaux, J.P.

    1976-01-01

    The influence of relativistic effects on hydrogen-like systems is first reviewed. After having considered one-electron systems, the influence of the other electrons is to be taken into account when considering inner ionization energy and ionization cross sections. Two-hole states in inner shells being then dealt with, the problem of angular momentum coupling among electrons can no longer be neglected. In an other way, this implies that wave functions are to be built on a jj basis instead of a ls one. Ksub(α)sup(h) hypersatellite spectra and KLL Auger transition energies are successively discussed

  11. Elucidation and control of electronic properties related to organic semiconductors

    International Nuclear Information System (INIS)

    Yamane, Hiroyuki; Ueno, Nobuo; Seki, Kazuhiko

    2009-01-01

    The electronic structure of organic solids and interfaces plays a crucial role in the performance of optoelectronic devices using organic semiconductors such as light-emitting diodes, field-effect transistors, and photovoltaic cells. The functionality of these organic devices is seriously dominated by the geometric structure, which varies depending on the molecular structure and the sample preparation condition. Due to the rapid progress in sample preparation methods and surface science techniques, we can now discuss in detail the correlation of the electronic structure with the geometric structure of organic solids, films, and interfaces. This paper reviews the recent progress of studies in the geometric and electronic structures related to organic semiconductors. (author)

  12. Hydraulic and acoustic properties of the active Alpine Fault, New Zealand: Laboratory measurements on DFDP-1 drill core

    Science.gov (United States)

    Carpenter, B. M.; Kitajima, H.; Sutherland, R.; Townend, J.; Toy, V. G.; Saffer, D. M.

    2014-03-01

    We report on laboratory measurements of permeability and elastic wavespeed for a suite of samples obtained by drilling across the active Alpine Fault on the South Island of New Zealand, as part of the first phase of the Deep Fault Drilling Project (DFDP-1). We find that clay-rich cataclasite and principal slip zone (PSZ) samples exhibit low permeabilities (⩽10-18 m), and that the permeability of hanging-wall cataclasites increases (from c. 10-18 m to 10-15 m) with distance from the fault. Additionally, the PSZ exhibits a markedly lower P-wave velocity and Young's modulus relative to the wall rocks. Our laboratory data are in good agreement with in situ wireline logging measurements and are consistent with the identification of an alteration zone surrounding the PSZ defined by observations of core samples. The properties of this zone and the low permeability of the PSZ likely govern transient hydrologic processes during earthquake slip, including thermal pressurization and dilatancy strengthening.

  13. Structural and electronic properties of ion-implanted superconductors

    International Nuclear Information System (INIS)

    Bernas, H.; Nedellec, P.

    1980-01-01

    Recent work on ion implanted superconductors is reviewed. In situ x-ray, channeling, resistivity, and electron tunneling experiments now approach the relation between lattice order (or disorder) and superconductivity

  14. Hydraulic testing in crystalline rock

    International Nuclear Information System (INIS)

    Almen, K.E.; Andersson, J.E.; Carlsson, L.; Hansson, K.; Larsson, N.A.

    1986-12-01

    Swedish Geolocical Company (SGAB) conducted and carried out single-hole hydraulic testing in borehole Fi 6 in the Finnsjoen area of central Sweden. The purpose was to make a comprehensive evaluation of different methods applicable in crystalline rocks and to recommend methods for use in current and scheduled investigations in a range of low hydraulic conductivity rocks. A total of eight different methods of testing were compared using the same equipment. This equipment was thoroughly tested as regards the elasticity of the packers and change in volume of the test section. The use of a hydraulically operated down-hole valve enabled all the tests to be conducted. Twelve different 3-m long sections were tested. The hydraulic conductivity calculated ranged from about 5x10 -14 m/s to 1x10 -6 m/s. The methods used were water injection under constant head and then at a constant rate-of-flow, each of which was followed by a pressure fall-off period. Water loss, pressure pulse, slug and drill stem tests were also performed. Interpretation was carried out using standard transient evaluation methods for flow in porous media. The methods used showed themselves to be best suited to specific conductivity ranges. Among the less time-consuming methods, water loss, slug and drill stem tests usually gave somewhat higher hydraulic conductivity values but still comparable to those obtained using the more time-consuming tests. These latter tests, however, provided supplementary information on hydraulic and physical properties and flow conditions, together with hydraulic conductivity values representing a larger volume of rock. (orig./HP)

  15. Shape-dependent electronic properties of blue phosphorene nano-flakes

    Energy Technology Data Exchange (ETDEWEB)

    Bhatia, Pradeep; Swaroop, Ram; Kumar, Ashok, E-mail: ashok@cup.ac.in [Center for Physical Sciences, School of Basic and Applied Sciences, Central University of Punjab, Bathinda-151001 (India)

    2016-05-06

    In recent year’s considerable attention has been given to the first principles method for modifying and controlling electronic properties of nano-materials. We performed DFT-based calculations on the electronic properties of zigzag-edged nano-flakes of blue phosphorene with three possible shapes namely rectangular, triangular and hexagonal. We observed that HOMO-LUMO gap of zigzag phosphorene nano-flakes with different shapes is ∼2.9 eV with H-passivations and ∼0.7 – 1.2 eV in pristine cases. Electronic properties of blue phosphorene nano-flakes show the strong dependence on their shape. We observed that distributions of molecular orbitals were strongly affected by the different shapes. Zigzag edged considered nanostructures are non-magnetic and semiconducting in nature. The shape dependent electronic properties may find applications in tunable nano-electronics.

  16. Quasirelativism, narrowband properties and forced dynamics of electrons in solids

    CERN Document Server

    Pavlov, B S; Strepetov, A V

    2002-01-01

    The narrow-zone semiconductors, which are applied for creating the quantum networks, characterized by small effective masses of electrons at the Fermi level and consequently by high electron mobility in the lattice. The obviously soluble model, clarifying one of the possible mechanisms for the small effective masses origination, is constructed in the proposed work. The other mathematical model, constructed in this work, describes the possible mechanism for controlling the alternating quantum current by the one-dimensional lattice through a travelling wave

  17. Hydration effect on the electronic transport properties of oligomeric phenylene ethynylene molecular junctions

    International Nuclear Information System (INIS)

    Zong-Liang, Li; Huai-Zhi, Li; Yong, Ma; Guang-Ping, Zhang; Chuan-Kui, Wang

    2010-01-01

    A first-principles computational method based on the hybrid density functional theory is developed to simulate the electronic transport properties of oligomeric phenylene ethynylene molecular junctions with H 2 O molecules accumulated in the vicinity as recently reported by Na et al. [Nanotechnology 18 424001 (2007)]. The numerical results show that the hydrogen bonds between the oxygen atoms of the oligomeric phenylene ethynylene molecule and H 2 O molecules result in the localisation of the molecular orbitals and lead to the lower transition peaks. The H 2 O molecular chains accumulated in the vicinity of the molecular junction can not only change the electronic structure of the molecular junctions, but also open additional electronic transport pathways. The obvious influence of H 2 O molecules on the electronic structure of the molecular junction and its electronic transport properties is thus demonstrated. (condensed matter: electronic structure, electrical, magnetic, and optical properties)

  18. Enhanced Electronic Properties of SnO2 via Electron Transfer from Graphene Quantum Dots for Efficient Perovskite Solar Cells.

    Science.gov (United States)

    Xie, Jiangsheng; Huang, Kun; Yu, Xuegong; Yang, Zhengrui; Xiao, Ke; Qiang, Yaping; Zhu, Xiaodong; Xu, Lingbo; Wang, Peng; Cui, Can; Yang, Deren

    2017-09-26

    Tin dioxide (SnO 2 ) has been demonstrated as an effective electron-transporting layer (ETL) for attaining high-performance perovskite solar cells (PSCs). However, the numerous trap states in low-temperature solution processed SnO 2 will reduce the PSCs performance and result in serious hysteresis. Here, we report a strategy to improve the electronic properties in SnO 2 through a facile treatment of the films with adding a small amount of graphene quantum dots (GQDs). We demonstrate that the photogenerated electrons in GQDs can transfer to the conduction band of SnO 2 . The transferred electrons from the GQDs will effectively fill the electron traps as well as improve the conductivity of SnO 2 , which is beneficial for improving the electron extraction efficiency and reducing the recombination at the ETLs/perovskite interface. The device fabricated with SnO 2 :GQDs could reach an average power conversion efficiency (PCE) of 19.2 ± 1.0% and a highest steady-state PCE of 20.23% with very little hysteresis. Our study provides an effective way to enhance the performance of perovskite solar cells through improving the electronic properties of SnO 2 .

  19. Hydraulic gradients in rock aquifers

    International Nuclear Information System (INIS)

    Dahlblom, P.

    1992-05-01

    This report deals with fractured rock as a host for deposits of hazardous waste. In this context the rock, with its fractures containing moving groundwater, is called the geological barrier. The desired properties of the geological barrier are low permeability to water, low hydraulic gradients and ability to retain matter dissolved in the water. The hydraulic gradient together with the permeability and the porosity determines the migration velocity. Mathematical modelling of the migration involves calculation of the water flow and the hydrodynamic dispersion of the contaminant. The porous medium approach can be used to calculate mean flow velocities and hydrodynamic dispersion of a large number of fractures are connected, which means that a large volume have to be considered. It is assumed that the porous medium approach can be applied, and a number of idealized examples are shown. It is assumed that the groundwater table is replenished by percolation at a constant rate. One-dimensional analytical calculations show that zero hydraulic gradients may exist at relatively large distance from the coast. Two-dimensional numerical calculations show that it may be possible to find areas with low hydraulic gradients and flow velocities within blocks surrounded by areas with high hydraulic conductivity. (au)

  20. Birth of a hydraulic jump

    Science.gov (United States)

    Duchesne, Alexis; Bohr, Tomas; Andersen, Anders

    2017-11-01

    The hydraulic jump, i.e., the sharp transition between a supercritical and a subcritical free-surface flow, has been extensively studied in the past centuries. However, ever since Leonardo da Vinci asked it for the first time, an important question has been left unanswered: How does a hydraulic jump form? We present an experimental and theoretical study of the formation of stationary hydraulic jumps in centimeter wide channels. Two starting situations are considered: The channel is, respectively, empty or filled with liquid, the liquid level being fixed by the wetting properties and the boundary conditions. We then change the flow-rate abruptly from zero to a constant value. In an empty channel, we observe the formation of a stationary hydraulic jump in a two-stage process: First, the channel fills by the advancing liquid front, which undergoes a transition from supercritical to subcritical at some position in the channel. Later the influence of the downstream boundary conditions makes the jump move slowly upstream to its final position. In the pre-filled channel, the hydraulic jump forms at the injector edge and then moves downstream to its final position.

  1. Electronic properties of epitaxial 6H silicon carbide

    International Nuclear Information System (INIS)

    Wessels, B.W.; Gatos, H.C.

    1977-01-01

    The electrical conductivity and Hall coefficient were measured in the temperature range from 78 to 900 K for n-type epitaxially grown 6H silicon carbide. A many-valley model of the conduction band was used in the analysis of electron concentration as a function of temperature. From this analysis, the density of states mass to the free electron mass ratio per ellipsoid was calculated to be 0.45. It was estimated that the constant energy surface of the conduction band consists of three ellipsoids. The ionization energy of the shallowest nitrogen donor was found to be 105 meV, when the valley-orbit interaction was taken into account. The electron scattering mechanisms in the epitaxial layers were analyzed and it was shown that the dominant mechanism limiting electron mobility at high temperatures is inter-valley scattering and at low temperatures (200K), impurity and space charge scattering. A value of 360 cm 2 /V sec was calculated for the maximum room temperature Hall mobility expected for electrons in pure 6H SiC. The effect of epitaxial growth temperature on room temperature Hall mobility was also investigated. (author)

  2. Dynamical and electronic properties of rare-earth aluminides

    Science.gov (United States)

    Sharma, Ramesh; Sharma, Yamini

    2018-04-01

    Rare-earth dialuminides belong to a large family of compounds that stabilize in cubic MgCu2 structure. A large number of these compounds are superconducting, amongst these YAl2, LaAl2 and LuAl2 have been chosen as reference materials for studying 4f-electron systems. In order to understand the role of the RE atoms, we have applied the FPLAPW and PAW methods within the density functional theory (DFT). Our results show that the contribution of RE atoms is dominant in both electronic structure and phonon dispersion. The anomalous behavior of superconducting LaAl2 is well explained from an analysis of the electron localization function (ELF), Bader charge analysis, density of electronic states as well as the dynamical phonon vibrational modes. The interaction of phonon modes contributed by low frequency vibrations of La atoms with the high density La 5d-states at EF in LaAl2 lead to strong electron-phonon coupling.

  3. Electronic properties of single-molecule junction: Effect of the molecular distortion

    International Nuclear Information System (INIS)

    Gao, W.; Zhao, M.; Jiang, Q.

    2009-01-01

    For a model system consisting of a benzenedithio (BDT) molecule sandwiched between two Au plates, the electronic properties as a function of different BDT geometry are investigated using density functional theory. The distorted BDT structures are got through stretching the electrode distance. The corresponding electronic properties, including the spatial distribution of the frontier orbits, the gap between the highest occupied molecular orbital and the lowest unoccupied molecular orbital levels and density of states at the Fermi energy are determined. It reveals that the molecular distortion essentially determines electronic structures. The result should be beneficial to understand the stress-dependent or structure-dependent transport mechanism of electrons of the BDT junction.

  4. Electronic and gas sensing properties of soluble phthalocyanines

    Czech Academy of Sciences Publication Activity Database

    Pochekaylov, Sergey; Rais, David; Nešpůrek, Stanislav; Rakušan, J.; Karásková, M.

    2009-01-01

    Roč. 27, č. 3 (2009), s. 781-795 ISSN 0137-1339. [International Conference on Electtrical and Related Properties of Organic Solids /11./. Wroclaw, 13.07.2008-17.07.2008] R&D Projects: GA AV ČR KAN400720701 Institutional research plan: CEZ:AV0Z40500505 Keywords : substituted phthalocyanine * nitrogen dioxide sensor * optical properties Subject RIV: CD - Macromolecular Chemistry Impact factor: 0.384, year: 2009

  5. Electronic structure and physical properties of 13C carbon composite

    OpenAIRE

    Zhmurikov, Evgenij

    2015-01-01

    This review is devoted to the application of graphite and graphite composites in science and technology. Structure and electrical properties, as so technological aspects of producing of high-strength artificial graphite and dynamics of its destruction are considered. These type of graphite are traditionally used in the nuclear industry. Author was focused on the properties of graphite composites based on carbon isotope 13C. Generally, the review relies on the original results and concentrates...

  6. Uncertainty in hydraulic tests in fractured rock

    International Nuclear Information System (INIS)

    Ji, Sung-Hoon; Koh, Yong-Kwon

    2014-01-01

    Interpretation of hydraulic tests in fractured rock has uncertainty because of the different hydraulic properties of a fractured rock to a porous medium. In this study, we reviewed several interesting phenomena which show uncertainty in a hydraulic test at a fractured rock and discussed their origins and the how they should be considered during site characterisation. Our results show that the estimated hydraulic parameters of a fractured rock from a hydraulic test are associated with uncertainty due to the changed aperture and non-linear groundwater flow during the test. Although the magnitude of these two uncertainties is site-dependent, the results suggest that it is recommended to conduct a hydraulic test with a little disturbance from the natural groundwater flow to consider their uncertainty. Other effects reported from laboratory and numerical experiments such as the trapping zone effect (Boutt, 2006) and the slip condition effect (Lee, 2014) can also introduce uncertainty to a hydraulic test, which should be evaluated in a field test. It is necessary to consider the way how to evaluate the uncertainty in the hydraulic property during the site characterisation and how to apply it to the safety assessment of a subsurface repository. (authors)

  7. Shape dependent electronic properties of wurzite GaN nanowire

    Energy Technology Data Exchange (ETDEWEB)

    Srivastava, Pankaj, E-mail: pankajs@iiitm.ac.in; Kumar, Avaneesh, E-mail: avaneeshk7@ymail.com; Sharma, Varun, E-mail: sunny2013@gmail.com [Nanomaterials Research Group, ABV-Indian Institute of Information Technology and Management (IIITM), Gwalior-474015 (India); Jaiswal, Neeraj K., E-mail: neerajkumar.phd@gmail.com [Discipline of Physics, PDPM-Indian Institute of Information Technology, Design and Manufacturing (IIITDM), Jabalpur-482005 (India)

    2016-05-06

    In the present work, energetic stability and electronic behavior of triangular and square shaped wurzite GaN NW oriented along [1100] and [11 2 0] direction has been investigated by employing ab-initio DFT calculation. Structural analysis suggests that triangular shaped NW undergoes strong surface reconstruction compared to square shaped NW. However, binding energy reveals that square shaped NW is energetically more feasible than triangular NW. Further, from electronic band structure we observe that both structures are metallic with higher metallicity for triangular shaped NW.

  8. Hydraulic Hybrid Vehicles

    Science.gov (United States)

    EPA and the United Parcel Service (UPS) have developed a hydraulic hybrid delivery vehicle to explore and demonstrate the environmental benefits of the hydraulic hybrid for urban pick-up and delivery fleets.

  9. Ab-initio investigations of the electronic properties of bulk wurtzite Beryllia and its derived nanofilms

    International Nuclear Information System (INIS)

    Goumri-Said, Souraya; Kanoun, Mohammed Benali

    2010-01-01

    In this Letter we investigate the electronic properties of the bulk and the nanofilm BeO in wurtzite structure. We performed a first-principles pseudo-potential method within the generalized gradient approximation. We will give more importance to the changes in band structure and density of states between the bulk structure and its derived nanofilms. The bonding characterization will be investigated via the analysis Mulliken population and charge density contours. It is found that the nanofilm retains the same properties as its bulk structure with slight changes in electronic properties and band structure which may offer some unusual transport properties.

  10. Investigation of the electronic, magnetic and optical properties of newest carbon allotrope

    Science.gov (United States)

    Kazemi, Samira; Moradian, Rostam

    2018-05-01

    We investigate triple properties of monolayer pentagon graphene that include electronic, magnetic and optical properties based on density functional theory (DFT). Our results show that in the electronic and magnetic properties this structure with a direct energy gap of about 2.2 eV along Γ - Γ direction and total magnetic moment of 0.0013 μB per unit cell is almost a non-magnetic semiconductor. Also, its optical properties show that if this allotrope used in solar cell technology, its efficiency in the low energy will be better, because, in the range of energy, its loss energy function and reflectivity will be minimum.

  11. Ab-initio investigations of the electronic properties of bulk wurtzite Beryllia and its derived nanofilms

    KAUST Repository

    Goumri-Said, Souraya

    2010-08-01

    In this Letter we investigate the electronic properties of the bulk and the nanofilm BeO in wurtzite structure. We performed a first-principles pseudo-potential method within the generalized gradient approximation. We will give more importance to the changes in band structure and density of states between the bulk structure and its derived nanofilms. The bonding characterization will be investigated via the analysis Mulliken population and charge density contours. It is found that the nanofilm retains the same properties as its bulk structure with slight changes in electronic properties and band structure which may offer some unusual transport properties. © 2010 Elsevier B.V. All rights reserved.

  12. Equipment for hydraulic testing

    International Nuclear Information System (INIS)

    Jacobsson, L.; Norlander, H.

    1981-07-01

    Hydraulic testing in boreholes is one major task of the hydrogeological program in the Stripa Project. A new testing equipment for this purpose was constructed. It consists of a downhole part and a surface part. The downhole part consists of two packers enclosing two test-sections when inflated; one between the packers and one between the bottom packer and the bottom of the borehole. A probe for downhole electronics is also included in the downhole equipment together with electrical cable and nylon tubing. In order to perform shut-in and pulse tests with high accuracy a surface controlled downhole valve was constructed. The surface equipment consists of the data acquisition system, transducer amplifier and surface gauges. In the report detailed descriptions of each component in the whole testing equipment are given. (Auth.)

  13. Molecular fingerprints in the electronic properties of crystalline organic semiconductors

    DEFF Research Database (Denmark)

    Ciuchi, S.; Hatch, R.C.; Höchst, H.

    2012-01-01

    bands can be achieved in organic semiconductors provided that one properly accounts for the coupling to molecular vibrational modes and the presence of disorder. Our findings rationalize the growing experimental evidence that even the best band structure theories based on a many-body treatment...... of electronic interactions cannot reproduce the experimental photoemission data in this important class of materials....

  14. Properties of the scattering amplitude for electron-atom collisions

    International Nuclear Information System (INIS)

    Combes, J.M.; Tip, A.

    1983-02-01

    For the scattering of an electron by an atom finiteness of the amplitude at non threshold energies is proved in the framework of the N-body Schroedinger equation. It is also shown that both the direct and exchange amplitudes have analytic continuations for complex values of incident momentum, with pole or cut singularities on the imaginary axis

  15. Electronic and chemical properties of graphene-based structures:

    DEFF Research Database (Denmark)

    Vanin, Marco

    In the present thesis several aspects of graphene-based structures have been investigated using density functional theory calculations to solve the electronic structure problem. A review of the implementation of a localized basis-set within the projector augmented wave method - the way of describ...... are attractive candidates although issues regarding the poisoning of the active site remain to be addressed....

  16. Electronic structure and equilibrium properties of hcp titanium and ...

    Indian Academy of Sciences (India)

    -d) and zirco- nium (4-d) transition metals are studied by using a non-local model potential method. From the present calculation of energy bands, Fermi energy, density of states and the electronic heat capacity of these two metals are ...

  17. Electronic structure and mechanical properties of plasma nitrided ferrous alloys

    Energy Technology Data Exchange (ETDEWEB)

    Portolan, E. [Centro de Ciencias Exatas e Tecnologia, Universidade de Caxias do Sul, 95070-560 Caxias do Sul-RS (Brazil); Baumvol, I.J.R. [Centro de Ciencias Exatas e Tecnologia, Universidade de Caxias do Sul, 95070-560 Caxias do Sul-RS (Brazil); Instituto de Fisica, Universidade Federal do Rio Grande do Sul, Porto Alegre 91509-970 (Brazil); Figueroa, C.A., E-mail: cafiguer@ucs.br [Centro de Ciencias Exatas e Tecnologia, Universidade de Caxias do Sul, 95070-560 Caxias do Sul-RS (Brazil)

    2009-04-15

    The electronic structures of the near-surface regions of two different nitrided steels (AISI 316 and 4140) were investigated using X-ray photoelectron spectroscopy. Photoelectron groups from all main chemical elements involved were addressed for steel samples with implanted-N concentrations in the range 16-32 at.%. As the implanted-N concentrations were increased, rather contrasting behaviors were observed for the two kinds of steel. The N1s photoelectrons had spectral shifts toward lower (nitrided AISI 316) or higher (nitrided AISI 4140) binding energies, whereas the Fe2p{sub 3/2} photoelectron spectrum remains at a constant binding energy (nitrided AISI 316) or shifts toward higher binding energies (AISI 4140). These trends are discussed in terms of the metallic nitride formation and the overlapping of atomic orbitals. For nitrided AISI 316, a semi-classical approach of charge transfer between Cr and N is used to explain the experimental facts (formation of CrN), while for nitrided AISI 4140 we propose that the interaction between orbitals 4s from Fe and 2p from N promotes electrons to the conduction band increasing the electrical attraction of the N1s and Fe2p electrons in core shells (formation of FeN{sub x}). The increase in hardness of the steel upon N implantation is attributed to the localization of electrons in specific bonds, which diminishes the metallic bond character.

  18. Electronic structure and mechanical properties of plasma nitrided ferrous alloys

    Science.gov (United States)

    Portolan, E.; Baumvol, I. J. R.; Figueroa, C. A.

    2009-04-01

    The electronic structures of the near-surface regions of two different nitrided steels (AISI 316 and 4140) were investigated using X-ray photoelectron spectroscopy. Photoelectron groups from all main chemical elements involved were addressed for steel samples with implanted-N concentrations in the range 16-32 at.%. As the implanted-N concentrations were increased, rather contrasting behaviors were observed for the two kinds of steel. The N1s photoelectrons had spectral shifts toward lower (nitrided AISI 316) or higher (nitrided AISI 4140) binding energies, whereas the Fe2p 3/2 photoelectron spectrum remains at a constant binding energy (nitrided AISI 316) or shifts toward higher binding energies (AISI 4140). These trends are discussed in terms of the metallic nitride formation and the overlapping of atomic orbitals. For nitrided AISI 316, a semi-classical approach of charge transfer between Cr and N is used to explain the experimental facts (formation of CrN), while for nitrided AISI 4140 we propose that the interaction between orbitals 4s from Fe and 2p from N promotes electrons to the conduction band increasing the electrical attraction of the N1s and Fe2p electrons in core shells (formation of FeN x). The increase in hardness of the steel upon N implantation is attributed to the localization of electrons in specific bonds, which diminishes the metallic bond character.

  19. Electronic structure and mechanical properties of plasma nitrided ferrous alloys

    International Nuclear Information System (INIS)

    Portolan, E.; Baumvol, I.J.R.; Figueroa, C.A.

    2009-01-01

    The electronic structures of the near-surface regions of two different nitrided steels (AISI 316 and 4140) were investigated using X-ray photoelectron spectroscopy. Photoelectron groups from all main chemical elements involved were addressed for steel samples with implanted-N concentrations in the range 16-32 at.%. As the implanted-N concentrations were increased, rather contrasting behaviors were observed for the two kinds of steel. The N1s photoelectrons had spectral shifts toward lower (nitrided AISI 316) or higher (nitrided AISI 4140) binding energies, whereas the Fe2p 3/2 photoelectron spectrum remains at a constant binding energy (nitrided AISI 316) or shifts toward higher binding energies (AISI 4140). These trends are discussed in terms of the metallic nitride formation and the overlapping of atomic orbitals. For nitrided AISI 316, a semi-classical approach of charge transfer between Cr and N is used to explain the experimental facts (formation of CrN), while for nitrided AISI 4140 we propose that the interaction between orbitals 4s from Fe and 2p from N promotes electrons to the conduction band increasing the electrical attraction of the N1s and Fe2p electrons in core shells (formation of FeN x ). The increase in hardness of the steel upon N implantation is attributed to the localization of electrons in specific bonds, which diminishes the metallic bond character.

  20. Noncovalent Intermolecular Interactions in Organic Electronic Materials: Implications for the Molecular Packing vs Electronic Properties of Acenes

    KAUST Repository

    Sutton, Christopher

    2015-10-30

    Noncovalent intermolecular interactions, which can be tuned through the toolbox of synthetic chemistry, determine not only the molecular packing but also the resulting electronic, optical, and mechanical properties of materials derived from π-conjugated molecules, oligomers, and polymers. Here, we provide an overview of the theoretical underpinnings of noncovalent intermolecular interactions and briefly discuss the computational chemistry approaches used to understand the magnitude of these interactions. These methodologies are then exploited to illustrate how noncovalent intermolecular interactions impact important electronic properties-such as the electronic coupling between adjacent molecules, a key parameter for charge-carrier transport-through a comparison between the prototype organic semiconductor pentacene with a series of N-substituted heteropentacenes. Incorporating an understanding of these interactions into the design of organic semiconductors can assist in developing novel materials systems from this fascinating molecular class. © 2015 American Chemical Society.

  1. Straddle-packer determination of the vertical distribution of hydraulic properties in the Snake River Plain Aquifer at well USGS-44, Idaho Chemical Processing Plant, INEL

    International Nuclear Information System (INIS)

    Monks, J.I.

    1994-01-01

    Many of the monitor wells that penetrate the upper portion of the Snake River Plain aquifer at the Idaho National Engineering Laboratory (INEL) are open over large intervals that include multiple water-bearing zones. Most of these wells are equipped with dedicated submersible pumps. Water of varying quality from different water-bearing zones is mixed within the wells. The hydrologic properties of individual water bearing zones are difficult to determine. Water quality and water-level data on organic, heavy metal, and radioactive contaminants have been collected, reported, and interpreted from these monitor wells for more than forty years. The problems associated with well completions over large intervals through multiple water-bearing zones raise significant questions about the data. A straddle-packer system was developed and applied at the INEL site to investigate the monitor well network. The straddle-packer system, hydraulic testing methods, data analysis procedures, and testing results are described in this report. The straddle-packer system and the straddle-packer testing and data evaluation procedures can be improved for future testing at the INEL site. Recommended improvements to the straddle-packer system are: (1) improved transducer pressure sensing systems, (2) faster opening riser valve, and (3) an in-line flowmeter in the riser pipe. Testing and data evaluation recommended improvements are: (1) simultaneous valve opening during slug tests, (2) analysis of the ratio of the times for head change and recovery to occur, (3) constant-drawdown tests of high transmissivity intervals, (4) multiple-well aquifer tests, and (5) long term head monitoring

  2. Effects of Shock and Turbulence Properties on Electron Acceleration

    Science.gov (United States)

    Qin, G.; Kong, F.-J.; Zhang, L.-H.

    2018-06-01

    Using test particle simulations, we study electron acceleration at collisionless shocks with a two-component model turbulent magnetic field with slab component including dissipation range. We investigate the importance of the shock-normal angle θ Bn, magnetic turbulence level {(b/{B}0)}2, and shock thickness on the acceleration efficiency of electrons. It is shown that at perpendicular shocks the electron acceleration efficiency is enhanced with the decrease of {(b/{B}0)}2, and at {(b/{B}0)}2=0.01 the acceleration becomes significant due to a strong drift electric field with long time particles staying near the shock front for shock drift acceleration (SDA). In addition, at parallel shocks the electron acceleration efficiency is increasing with the increase of {(b/{B}0)}2, and at {(b/{B}0)}2=10.0 the acceleration is very strong due to sufficient pitch-angle scattering for first-order Fermi acceleration, as well as due to the large local component of the magnetic field perpendicular to the shock-normal angle for SDA. On the other hand, the high perpendicular shock acceleration with {(b/{B}0)}2=0.01 is stronger than the high parallel shock acceleration with {(b/{B}0)}2=10.0, the reason might be the assumption that SDA is more efficient than first-order Fermi acceleration. Furthermore, for oblique shocks, the acceleration efficiency is small no matter whether the turbulence level is low or high. Moreover, for the effect of shock thickness on electron acceleration at perpendicular shocks, we show that there exists the bendover thickness, L diff,b. The acceleration efficiency does not noticeably change if the shock thickness is much smaller than L diff,b. However, if the shock thickness is much larger than L diff,b, the acceleration efficiency starts to drop abruptly.

  3. Super heavy element Copernicium: Cohesive and electronic properties revisited

    Science.gov (United States)

    Gyanchandani, Jyoti; Mishra, Vinayak; Dey, G. K.; Sikka, S. K.

    2018-01-01

    First principles scalar relativistic (SR) calculations with and without including the spin orbit (SO) interactions have been performed for solid Copernicium (Cn) to determine its ground state equilibrium structure, volume, bulk modulus, pressure derivative of the bulk modulus, density of states and band structure. Both SR and SR+SO calculations have been performed with 6p levels treated as part of core electrons and also as part of valence electrons. These calculations have been performed for the rhombohedral, BCT, FCC, HCP, BCC and SC structures. Results have been compared with the results for Hg which is lighter homologue of Cn in the periodic table. We find hcp to be the stable crystal structure at SR level of theory and also at SR+SO level of theory when the 6p electrons are treated as part of core electrons. With 6p as part of valence electrons, SR+SO level of computations, however, yield bcc structure to be the most stable structure. Equilibrium volume (V0) of the most stable crystal structure at SR level of theory viz. hcp structure is 188.66 a.u.3whereas its value for the bcc structure, the equilibrium ground state structure at SR+SO level of theory is 165.71 a.u.3 i.e a large change due to relativistic effects is seen. The density of states at Fermi level is much smaller in Cn than in Hg, making it a poorer metal than mercury. In addition the cohesive energy of Cn is computed to be almost two times that of Hg for SR+SO case.

  4. Innovation and development of exhibition electronic-commerce based on the properties of electronic-commerce

    Science.gov (United States)

    Zhang, Jiankang

    2017-06-01

    There are two roadmaps of accomplishing exhibition electronic-commerce innovation and development. The first roadmap is that the exhibition organizers should seek mutual benefit cooperation with professional electronic-commerce platform of correspondent area with exhibition projects, thus help exhibitors realize their market object. The second roadmap is to promote innovation and development of electronic-commerce (Business-to-Customer) between both exhibitors and purchasers. Exhibition electronic-commerce must focus on innovative development in the following functions: market research and information service; advertising and business negotiation; online trading and online payment. With the aid of electronic-commerce, exhibition enterprise could have distinctive strengths such as transactions with virtualization, transparency, high efficiency and low cost, enhancing market link during enterprise research and development, promoting the efficiency of internal team collaboration and the individuation of external service, and optimizing resource allocation.

  5. Silicon-germanium (Sige) nanostructures production, properties and applications in electronics

    CERN Document Server

    Usami, N

    2011-01-01

    Nanostructured silicon-germanium (SiGe) provides the prospect of novel and enhanced electronic device performance. This book reviews the materials science and technology of SiGe nanostructures, including crystal growth, fabrication of nanostructures, material properties and applications in electronics.$bNanostructured silicon-germanium (SiGe) opens up the prospects of novel and enhanced electronic device performance, especially for semiconductor devices. Silicon-germanium (SiGe) nanostructures reviews the materials science of nanostructures and their properties and applications in different electronic devices. The introductory part one covers the structural properties of SiGe nanostructures, with a further chapter discussing electronic band structures of SiGe alloys. Part two concentrates on the formation of SiGe nanostructures, with chapters on different methods of crystal growth such as molecular beam epitaxy and chemical vapour deposition. This part also includes chapters covering strain engineering and mo...

  6. Electron transport properties in InAs four-terminal ballistic junctions under weak magnetic fields

    International Nuclear Information System (INIS)

    Koyama, M.; Fujiwara, K.; Amano, N.; Maemoto, T.; Sasa, S.; Inoue, M.

    2009-01-01

    We report on the electron transport properties based on ballistic electrons under magnetic fields in four-terminal ballistic junctions fabricated on an InAs/AlGaSb heterostructure. The four-terminal junction structure is composed of two longitudinal stems with two narrow wires slanted with 30 degree from the perpendicular axis. The electron focusing peak was obtained with the bend resistance measurement. Then it was investigated the nonlinear electron transport property of potential difference between longitudinal stems due to ballistic electrons with applying direct current from narrow wires. Observed nonlinearity showed clear rectification effects which have negative polarity regardless of input voltage polarity. Although this nonlinearity was qualitatively changed due to the Lorentz force under magnetic fields, the degradation of ballistic effects on nonlinear properties were observed when the current increased to higher strength. (copyright 2009 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  7. Electronic properties of diphenyl-s-tetrazine and some related oligomers. An spectroscopic and theoretical study

    Science.gov (United States)

    Moral, Mónica; García, Gregorio; Peñas, Antonio; Garzón, Andrés; Granadino-Roldán, José M.; Melguizo, Manuel; Fernández-Gómez, Manuel

    2012-10-01

    This work presents a theoretical and spectroscopic study on the electronic and structural properties of the diphenyl-s-tetrazine molecule (Ph2Tz) and some oligomeric derivatives. Ph2Tz was synthesized through a variation of Pinner-type reaction which uses N-acetylcysteine as catalyst. Insight into the structure and electronic properties of the title compound was obtained through IR, Raman, UV-Vis spectra in different solvents, and theoretical calculations. Theoretical studies have been extended to different n-mers derivatives up to an ideal molecular wire through the oligomeric approximation, predicting this way electronic properties such as LUMO energy levels, electron affinity and reorganization energy in order to assess their possible applications in molecular electronics.

  8. First principles study of electronic, elastic and thermal properties of lutetium intermetallics

    International Nuclear Information System (INIS)

    Pagare, Gitanjali; Chouhan, Sunil Singh; Soni, Pooja; Sanyal, S.P.; Rajagopalan, M.

    2011-01-01

    In the present work, the electronic, elastic and thermal properties of lutetium intermetallics LuX have been studied theoretically by using first principles calculations based on density functional theory (DFT) with the generalized gradient approximation (GCA)

  9. Proton disorder in cubic ice: Effect on the electronic and optical properties

    International Nuclear Information System (INIS)

    Garbuio, Viviana; Pulci, Olivia; Cascella, Michele; Kupchak, Igor; Seitsonen, Ari Paavo

    2015-01-01

    The proton disorder in ice has a key role in several properties such as the growth mode, thermodynamical properties, and ferroelectricity. While structural phase transitions from proton disordered to proton ordered ices have been extensively studied, much less is known about their electronic and optical properties. Here, we present ab initio many body perturbation theory-based calculations of the electronic and optical properties of cubic ice at different levels of proton disorder. We compare our results with those from liquid water, that acts as an example of a fully (proton- and oxygen-)disordered system. We find that by increasing the proton disorder, a shrinking of the electronic gap occurs in ice, and it is smallest in the liquid water. Simultaneously, the excitonic binding energy decreases, so that the final optical gaps result to be almost independent on the degree of proton disorder. We explain these findings as an interplay between the local dipolar disorder and the electronic correlation

  10. Structural, Electronic, Magnetic, and Vibrational Properties of Graphene and Silicene: A First-Principles Perspective

    KAUST Repository

    Kaloni, Thaneshwor P.

    2013-01-01

    This thesis covers the structural, electronic, magnetic, and vibrational properties of graphene and silicene. In Chapter I, we will start with an introduction to graphene and silicene. In Chapter II, we will briefly discuss about the methodology (i

  11. Ab-initio investigations of the electronic properties of bulk wurtzite Beryllia and its derived nanofilms

    KAUST Repository

    Goumri-Said, Souraya; Kanoun, Mohammed

    2010-01-01

    In this Letter we investigate the electronic properties of the bulk and the nanofilm BeO in wurtzite structure. We performed a first-principles pseudo-potential method within the generalized gradient approximation. We will give more importance

  12. Surface electronic and structural properties of nanostructured titanium oxide grown by pulsed laser deposition

    NARCIS (Netherlands)

    Fusi, M.; Maccallini, E.; Caruso, T.; Casari, C. S.; Bassi, A. Li; Bottani, C. E.; Rudolf, P.; Prince, K. C.; Agostino, R. G.

    Titanium oxide nanostructured thin films synthesized by pulsed laser deposition (PLD) were here characterized with a multi-technique approach to investigate the relation between surface electronic, structural and morphological properties. Depending on the growth parameters, these films present

  13. Structural and optical properties of electron beam evaporated CdSe ...

    Indian Academy of Sciences (India)

    electronic applications such as photo detection or solar energy conversion, due to its optical and electrical properties, as well as its good chemical and mechanical stability. In order to explore the possibility of using this in optoelectronics, ...

  14. Relativistic properties of spherical diodes with a radial electron flux

    International Nuclear Information System (INIS)

    Chetvertkov, V.I.

    1987-01-01

    Forward and backward electron diodes with concentric spherical electrodes (inner cathode, outer anode or vice versa) are considered under the assumption that the emission is limited by the space charge and the guiding magnetic field is predominantly radial within a region of solid angle α f < 4π bounding the electron flux. The Poisson equations for the relativistic factor γ are solved for generalized model dependences. Ultrarelativistic and new nonrelativistic solutions are found, and analytic approximations to the solution near the cathode are used to carry out numerical calculations. The characteristics of forward and backward diodes turn out to be related to the exact solutions for a planar diode. Accurate approximations are found for calculating the diode parameters in a wide range of voltages; they can also be used to check the validity of the 3/2 laws and the ultrarelativistic solutions

  15. Temperature dependence of electronic transport property in ferroelectric polymer films

    Energy Technology Data Exchange (ETDEWEB)

    Zhao, X.L.; Wang, J.L., E-mail: jlwang@mail.sitp.ac.cn; Tian, B.B.; Liu, B.L.; Zou, Y.H.; Wang, X.D.; Sun, S.; Sun, J.L., E-mail: jlsun@mail.sitp.ac.cn; Meng, X.J.; Chu, J.H.

    2014-10-15

    Highlights: • The ferroelectric polymer was fabricated by Langmuir–Blodgett method. • The electrons as the dominant injected carrier were conformed in the ferroelectric polymer films. • The leakage current conduction mechanisms in ferroelectric polymer were investigated. - Abstract: The leakage current mechanism of ferroelectric copolymer of polyvinylidene fluoride with trifluoroethylene prepared by Langmuir–Blodgett was investigated in the temperature range from 100 K to 350 K. The electron as the dominant injected carrier was observed in the ferroelectric copolymer films. The transport mechanisms in copolymer strongly depend on the temperature and applied voltage. From 100 K to 200 K, Schottky emission dominates the conduction. With temperature increasing, the Frenkel–Poole emission instead of the Schottky emission to conduct the carrier transport. When the temperature gets to 260 K, the leakage current becomes independent of temperature, and the space charge limited current conduction was observed.

  16. Echo 7: Magnetospheric properties determined by artificial electron beams

    International Nuclear Information System (INIS)

    Nemzek, R.J.

    1990-01-01

    The sounding rocket Echo 7 was launched from the Poker Flat Research Range. An on-board accelerator injected high-power electron beams into the magnetospheric tail near L = 6.5. After mirroring at the southern conjugate point, about 20 percent of the initial beam electrons returned to the North as Conjugate Echoes, where detectors (scintillators and spectrometers) on four subpayloads measured their energy and bounce time. The other 80 percent of the beam was pitch angle diffused by wave near the equatorial plane either into the conjugate atmosphere or up to mirror points above the payload. Comparison of measured values to calculations showed that the actual magnetosphere during the flight was well-described by the Tsyganenko-Usmanov model magnetosphere with a Kp value of 2- or 2+. Analysis of echo energies yielded values for the highly variable magnetospheric convection electric field

  17. Protonated serotonin: Geometry, electronic structures and photophysical properties

    Science.gov (United States)

    Omidyan, Reza; Amanollahi, Zohreh; Azimi, Gholamhassan

    2017-07-01

    The geometry and electronic structures of protonated serotonin have been investigated by the aim of MP2 and CC2 methods. The relative stabilities, transition energies and geometry of sixteen different protonated isomers of serotonin have been presented. It has been predicted that protonation does not exhibit essential alteration on the S1 ← S0 electronic transition energy of serotonin. Instead, more complicated photophysical nature in respect to its neutral analogue is suggested for protonated system owing to radiative and non-radiative deactivation pathways. In addition to hydrogen detachment (HD), hydrogen/proton transfer (H/PT) processes from ammonium to indole ring along the NH+⋯ π hydrogen bond have been predicted as the most important photophysical consequences of SERH+ at S1 excited state. The PT processes is suggested to be responsible for fluorescence of SERH+ while the HD driving coordinate is proposed for elucidation of its nonradiative deactivation mechanism.

  18. A Computational Model of Hydraulic Volume Displacement Drive

    Directory of Open Access Journals (Sweden)

    V. N. Pil'gunov

    2014-01-01

    Full Text Available The paper offers a computational model of industrial-purpose hydraulic drive with two hydraulic volume adjustable working chamber machines (pump and motor. Adjustable pump equipped with the pressure control unit can be run together with several adjustable hydraulic motors on the principle of three-phase hydraulic socket-outlet with high-pressure lines, drain, and drainage system. The paper considers the pressure-controlled hydrostatic transmission with hydraulic motor as an output link. It shows a possibility to create a saving hydraulic drive using a functional tie between the adjusting parameters of the pump and hydraulic motor through the pressure difference, torque, and angular rate of the hydraulic motor shaft rotation. The programmable logic controller can implement such tie. The Coulomb and viscous frictions are taken into consideration when developing a computational model of the hydraulic volume displacement drive. Discharge balance considers external and internal leakages in equivalent clearances of hydraulic machines, as well as compression loss volume caused by hydraulic fluid compressibility and deformation of pipe walls. To correct dynamic properties of hydraulic drive, the paper offers that in discharge balance are included the additional regulated external leakages in the open circuit of hydraulic drive and regulated internal leakages in the closed-loop circuit. Generalized differential equations having functional multipliers and multilinked nature have been obtained to describe the operation of hydraulic positioning and speed drive with two hydraulic volume adjustable working chamber machines. It is shown that a proposed computational model of hydraulic drive can be taken into consideration in development of LS («Load-Sensing» drives, in which the pumping pressure is tuned to the value required for the most loaded slave motor to overcome the load. Results attained can be used both in designing the industrial-purpose heavy

  19. Allenylidene Complexes of Ruthenium: Synthesis, Spectroscopy and Electron Transfer Properties

    Czech Academy of Sciences Publication Activity Database

    Winter, R. F.; Záliš, Stanislav

    2004-01-01

    Roč. 248, 15/16 (2004), s. 1565-1583 ISSN 0010-8545 R&D Projects: GA ČR GA203/03/0821; GA MŠk OC D14.20 Institutional research plan: CEZ:AV0Z4040901 Keywords : spectroscopy * allenylidine complexes of ruthenium * electron transfer Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 6.446, year: 2004

  20. Magnetic properties of metallic impurities with strongly correlated electrons

    Czech Academy of Sciences Publication Activity Database

    Janiš, Václav; Ringel, Matouš

    2009-01-01

    Roč. 115, č. 1 (2009), s. 30-35 ISSN 0587-4246 R&D Projects: GA ČR GA202/07/0644 Institutional research plan: CEZ:AV0Z10100520 Keywords : And erson impurity * strong electron correlations * spin-polarized solution * three-channel parquet equations * magnetic field Subject RIV: BE - Theoretical Physics Impact factor: 0.433, year: 2009 http://przyrbwn.icm.edu.pl/APP/ABSTR/115/a115-1-5.html

  1. DFT study on structure, electronic properties, and reactivity of cis ...

    Indian Academy of Sciences (India)

    bases (HSAB) principle. HSAB principle states that,. 'hard acids prefer to coordinate with hard bases and soft acids prefer to coordinate with soft bases for both their thermodynamic and kinetic properties'.24,25. The relationship between OC–Fe–CO bond angles and backbonding to CO for the isomers discussed above.

  2. Electronic structure and magnetic properties of KCrSe2

    NARCIS (Netherlands)

    Fang, C.M.; Tolsma, P.R.; Groot, R.A. de; Wiegers, G.A.; Haas, C.; vanBruggen, C.F.; deGroot, R.A.

    1996-01-01

    KCrSe2 characterized by x-ray powder diffraction is a layered compound isostructural with NaCrSe2: a = 3.80 Angstrom; c = 22.19 Angstrom; space group R (3) over bar m. The magnetic properties are similar to those of NaCrSe2 but with ari even more pronounced difference between the intralayer and

  3. Interplay of electronic and geometry shell effects in properties of neutral and charged Sr clusters

    DEFF Research Database (Denmark)

    Lyalin, Andrey; Solov'yov, Ilia; Solov'yov, Andrey V.

    2007-01-01

    that the size evolution of structural and electronic properties of strontium clusters is governed by an interplay of the electronic and geometry shell closures. Influence of the electronic shell effects on structural rearrangements can lead to violation of the icosahedral growth motif of strontium clusters......The optimized structure and electronic properties of neutral, singly, and doubly charged strontium clusters have been investigated using ab initio theoretical methods based on density-functional theory. We have systematically calculated the optimized geometries of neutral, singly, and doubly...... charged strontium clusters consisting of up to 14 atoms, average bonding distances, electronic shell closures, binding energies per atom, the gap between the highest occupied and the lowest unoccupied molecular orbitals, and spectra of the density of electronic states (DOS). It is demonstrated...

  4. Electronic properties of diphenyl-s-tetrazine and some related oligomers. An spectroscopic and theoretical study

    Energy Technology Data Exchange (ETDEWEB)

    Moral, Monica; Garcia, Gregorio [Departamento de Quimica Fisica y Analitica, Facultad de Ciencias Experimentales, Universidad de Jaen, Campus las Lagunillas, E23071 Jaen (Spain); Penas, Antonio [Departamento de Quimica Inorganica y Organica, Facultad de Ciencias Experimentales, Universidad de Jaen, Campus las Lagunillas, E23071 Jaen (Spain); Garzon, Andres; Granadino-Roldan, Jose M. [Departamento de Quimica Fisica y Analitica, Facultad de Ciencias Experimentales, Universidad de Jaen, Campus las Lagunillas, E23071 Jaen (Spain); Melguizo, Manuel [Departamento de Quimica Inorganica y Organica, Facultad de Ciencias Experimentales, Universidad de Jaen, Campus las Lagunillas, E23071 Jaen (Spain); Fernandez-Gomez, Manuel, E-mail: mfg@ujaen.es [Departamento de Quimica Fisica y Analitica, Facultad de Ciencias Experimentales, Universidad de Jaen, Campus las Lagunillas, E23071 Jaen (Spain)

    2012-10-26

    Highlights: Black-Right-Pointing-Pointer We study properties of Ph{sub 2}Tz and (PhTz){sub n}Ph as candidates for organic electronics. Black-Right-Pointing-Pointer The synthesis of Ph{sub 2}Tz was performed through a modified Pinner-type reaction. Black-Right-Pointing-Pointer IR/Raman spectra allowed to conclude that Ph{sub 2}Tz is nearly planar in liquid phase. Black-Right-Pointing-Pointer Electronic structure was studied by UV-Vis/TD-DFT methods in different solvents. Black-Right-Pointing-Pointer Bandgap, E{sub LUMO}, electron mobility predict some n-type character for limit polymer. -- Abstract: This work presents a theoretical and spectroscopic study on the electronic and structural properties of the diphenyl-s-tetrazine molecule (Ph{sub 2}Tz) and some oligomeric derivatives. Ph{sub 2}Tz was synthesized through a variation of Pinner-type reaction which uses N-acetylcysteine as catalyst. Insight into the structure and electronic properties of the title compound was obtained through IR, Raman, UV-Vis spectra in different solvents, and theoretical calculations. Theoretical studies have been extended to different n-mers derivatives up to an ideal molecular wire through the oligomeric approximation, predicting this way electronic properties such as LUMO energy levels, electron affinity and reorganization energy in order to assess their possible applications in molecular electronics.

  5. Electronic properties and orbital-filling mechanism in Rb-intercalated copper phthalocyanine

    NARCIS (Netherlands)

    Evangelista, F.; Gotter, R.; Mahne, N.; Nannarone, S.; Ruocco, A.; Rudolf, P.

    2008-01-01

    The evolution of the electronic properties of a thin film of copper phthalocyanine deposited on Al(100) and progressively intercalated with rubidium atoms was followed by photoemission and X-ray absorption spectroscopies. Electron donation from the Rb atoms to the C32H16N8Cu molecules results in the

  6. Electronic properties of diphenyl-s-tetrazine and some related oligomers. An spectroscopic and theoretical study

    International Nuclear Information System (INIS)

    Moral, Mónica; García, Gregorio; Peñas, Antonio; Garzón, Andrés; Granadino-Roldán, José M.; Melguizo, Manuel; Fernández-Gómez, Manuel

    2012-01-01

    Highlights: ► We study properties of Ph 2 Tz and (PhTz) n Ph as candidates for organic electronics. ► The synthesis of Ph 2 Tz was performed through a modified Pinner-type reaction. ► IR/Raman spectra allowed to conclude that Ph 2 Tz is nearly planar in liquid phase. ► Electronic structure was studied by UV–Vis/TD-DFT methods in different solvents. ► Bandgap, E LUMO , electron mobility predict some n-type character for limit polymer. -- Abstract: This work presents a theoretical and spectroscopic study on the electronic and structural properties of the diphenyl-s-tetrazine molecule (Ph 2 Tz) and some oligomeric derivatives. Ph 2 Tz was synthesized through a variation of Pinner-type reaction which uses N-acetylcysteine as catalyst. Insight into the structure and electronic properties of the title compound was obtained through IR, Raman, UV–Vis spectra in different solvents, and theoretical calculations. Theoretical studies have been extended to different n-mers derivatives up to an ideal molecular wire through the oligomeric approximation, predicting this way electronic properties such as LUMO energy levels, electron affinity and reorganization energy in order to assess their possible applications in molecular electronics.

  7. Estimating hydraulic properties of the Floridan Aquifer System by analysis of earth-tide, ocean-tide, and barometric effects, Collier and Hendry Counties, Florida

    Science.gov (United States)

    Merritt, Michael L.

    2004-01-01

    Aquifers are subjected to mechanical stresses from natural, non-anthropogenic, processes such as pressure loading or mechanical forcing of the aquifer by ocean tides, earth tides, and pressure fluctuations in the atmosphere. The resulting head fluctuations are evident even in deep confined aquifers. The present study was conducted for the purpose of reviewing the research that has been done on the use of these phenomena for estimating the values of aquifer properties, and determining which of the analytical techniques might be useful for estimating hydraulic properties in the dissolved-carbonate hydrologic environment of southern Florida. Fifteen techniques are discussed in this report, of which four were applied.An analytical solution for head oscillations in a well near enough to the ocean to be influenced by ocean tides was applied to data from monitor zones in a well near Naples, Florida. The solution assumes a completely non-leaky confining unit of infinite extent. Resulting values of transmissivity are in general agreement with the results of aquifer performance tests performed by the South Florida Water Management District. There seems to be an inconsistency between results of the amplitude ratio analysis and independent estimates of loading efficiency. A more general analytical solution that takes leakage through the confining layer into account yielded estimates that were lower than those obtained using the non-leaky method, and closer to the South Florida Water Management District estimates. A numerical model with a cross-sectional grid design was applied to explore additional aspects of the problem.A relation between specific storage and the head oscillation observed in a well provided estimates of specific storage that were considered reasonable. Porosity estimates based on the specific storage estimates were consistent with values obtained from measurements on core samples. Methods are described for determining aquifer diffusivity by comparing the time

  8. Properties of the transfer matrices of deflecting magnet systems for free electron laser

    International Nuclear Information System (INIS)

    Takao, Masaru

    1993-01-01

    The oscillation of the free electron laser (FEL) requires the high current and low emittance electron beam. The beam transport system should be achromatic and isochronous to preserve the brightness and the emittance of the electron beam. In this paper we clarify the algebraic properties of the transfer matrices of the magnetic deflection system, which is a key component in the beam transport line. (author)

  9. Advantages of Oscillatory Hydraulic Tomography

    Science.gov (United States)

    Kitanidis, P. K.; Bakhos, T.; Cardiff, M. A.; Barrash, W.

    2012-12-01

    Characterizing the subsurface is significant for most hydrogeologic studies, such as those involving site remediation and groundwater resource explo¬ration. A variety of hydraulic and geophysical methods have been developed to estimate hydraulic conductivity and specific storage. Hydraulic methods based on the analysis of conventional pumping tests allow the estimation of conductivity and storage without need for approximate petrophysical relations, which is an advantage over most geophysical methods that first estimate other properties and then infer values of hydraulic parameters. However, hydraulic methods have the disadvantage that the head-change signal decays with distance from the pumping well and thus becomes difficult to separate from noise except in close proximity to the source. Oscillatory hydraulic tomography (OHT) is an emerging technology to im¬age the subsurface. This method utilizes the idea of imposing sinusoidally varying pressure or discharge signals at several points, collecting head observations at several other points, and then processing these data in a tomographic fashion to estimate conductivity and storage coefficients. After an overview of the methodology, including a description of the most important potential advantages and challenges associated with this approach, two key promising features of the approach will be discussed. First, the signal at an observation point is orthogonal to and thus can be separated from nuisance inputs like head fluctuation from production wells, evapotranspiration, irrigation, and changes in the level of adjacent streams. Second, although the signal amplitude may be weak, one can extract the phase and amplitude of the os¬cillatory signal by collecting measurements over a longer time, thus compensating for the effect of large distance through longer sampling period.

  10. Effects of interfacial Fe electronic structures on magnetic and electronic transport properties in oxide/NiFe/oxide heterostructures

    International Nuclear Information System (INIS)

    Liu, Qianqian; Chen, Xi; Zhang, Jing-Yan; Yang, Meiyin; Li, Xu-Jing; Jiang, Shao-Long; Liu, Yi-Wei; Cao, Yi; Wu, Zheng-Long; Feng, Chun; Ding, Lei; Yu, Guang-Hua

    2015-01-01

    Highlights: • The magnetic and transport properties of oxide/NiFe/oxide films were studied. • The oxide (SiO 2 , MgO and HfO 2 ) has different elemental electronegativity. • Redox reaction at different NiFe/oxide interface is dependent on the oxide layer. • Different interfacial electronic structures shown by XPS influence the properties. - Abstract: We report that the magnetic and electronic transport properties in oxide/NiFe(2 nm)/oxide film (oxide = SiO 2 , MgO or HfO 2 ) are strongly influenced by the electronic structure of NiFe/oxide interface. Magnetic measurements show that there exist magnetic dead layers in the SiO 2 sandwiched film and MgO sandwiched film, whereas there is no magnetic dead layer in the HfO 2 sandwiched film. Furthermore, in the ultrathin SiO 2 sandwiched film no magnetoresistance (MR) is detected, while in the ultrathin MgO sandwiched film and HfO 2 sandwiched film the MR ratios reach 0.35% and 0.88%, respectively. The investigation by X-ray photoelectron spectroscopy reveals that the distinct interfacial redox reactions, which are dependent on the oxide layers, lead to the variation of magnetic and transport properties in different oxide/NiFe/oxide heterostructures

  11. Photon and electron interaction properties of ICRP reference man

    International Nuclear Information System (INIS)

    White, D.R.; Fitzgerald, M.; Ingram, D.

    1977-01-01

    The latest report of the Task Group of Committee 2 on Reference Man contains a comprehensive tabulation of the concentrations of 51 elements in 81 organs, tissues and tissue components. A comparison of the summation of the masses of the elements present in the tissue to the quoted total masses, has indicated discrepancies in excess of 20% for 12 tissues. The errors were generally due to data relating to the elements C, H, N or O being omitted, but certain skeletal systems were without calcium. Consequently, calculations were performed on 69 organs and tissues. Partial and total mass attenuation and energy absorption coefficients for 33 energies within the range 10 keV - 100 MeV, have been calculated using published elemental cross sections. Data were derived by the use of the conventional 'mixture rule', by summing over 51 elements. Photoelectric K, L 1 , L 2 and L 3 absorption edges for the high atomic number elements present were also considered in the analysis. Electron collision and radiation mass stopping powers, angular scattering powers and ranges have also been calculated for the same 33 energies from 10 keV - 100 MeV and for the same 69 tissues and organs. All of the tissues and organs have been categorised according to the basic fat/water/protein compositions and the magnitudes of the derived photon and electron data. The analysis has indicated a number of results of importance in radiation dosimetry. These include differences in excess of 30% in the photon interaction data at low energies for cortical bone compared to similar data for an earlier published formulation and significant K-edge discontinuities from iodine present in the thyroid. A review of this work will be given and comparisons made with interaction data derived from the previous reference Man document that was published in 1959. The implications of both the photon and the electron results in radiation dosimetry will be discussed

  12. Effect of Holstein phonons on the electronic properties of graphene

    International Nuclear Information System (INIS)

    Stauber, T; Peres, N M R

    2008-01-01

    We obtain the self-energy of the electronic propagator due to the presence of Holstein polarons within the first Born approximation. This leads to a renormalization of the Fermi velocity of 1%. We further compute the optical conductivity of the system at the Dirac point and at finite doping within the Kubo formula. We argue that the effects due to Holstein phonons are negligible and that the Boltzmann approach, which does not include inter-band transitions and can thus not treat optical phonons due to their high energy of ℎω 0 ∼ 0.1-0.2 eV, remains valid

  13. Effect of Holstein phonons on the electronic properties of graphene

    OpenAIRE

    Stauber, T.; Peres, N. M. R.

    2007-01-01

    We obtain the self-energy of the electronic propagator due to the presence of Holstein polarons within the first Born approximation. This leads to a renormalization of the Fermi velocity of one percent. We further compute the optical conductivity of the system at the Dirac point and at finite doping within the Kubo-formula. We argue that the effects due to Holstein phonons are negligible and that the Boltzmann approach which does not include inter-band transition and can thus not treat optica...

  14. Electronic transport properties in [n]cycloparaphenylenes molecular devices

    Science.gov (United States)

    Hu, Lizhi; Guo, Yandong; Yan, Xiaohong; Zeng, Hongli; Zhou, Jie

    2017-07-01

    The electronic transport of [n]cycloparaphenylenes ([n]CPPs) is investigated based on nonequilibrium Green's function formalism in combination with the density-functional theory. Negative differential resistance (NDR) phenomenon is observed. Further analysis shows that the reduction of the transmission peak induced by the bias changing near Fermi energy results in the NDR effect. Replacing the electrode (from carbon chain to Au electrode), doping with N atom and changing the size of the nanohoop (n = 5, 6, 8, 10) have also been studied and the NDR still exists, suggesting the NDR behavior is the intrinsic feature of such [n]CPPs systems, which would be quite useful in future nanoelectronic devices.

  15. Electronic transport properties of fullerene functionalized carbon nanotubes: Ab initio and tight-binding calculations

    DEFF Research Database (Denmark)

    Fürst, Joachim Alexander; Hashemi, J.; Markussen, Troels

    2009-01-01

    Fullerene functionalized carbon nanotubes-NanoBuds-form a novel class of hybrid carbon materials, which possesses many advantageous properties as compared to the pristine components. Here, we report a theoretical study of the electronic transport properties of these compounds. We use both ab init...

  16. The effect of impurities on the electronic properties of MgO

    Energy Technology Data Exchange (ETDEWEB)

    Jalili, Seifollah [Department of Chemistry, K.N. Toosi University of Technology, P.O. Box 16315-1618, Tehran (Iran, Islamic Republic of); Computational Physical Sciences Research Laboratory, Department of Nano-Science, Institute for Studies in Theoretical Physics and Mathematics (IPM), P.O. Box 19395-5531, Tehran (Iran, Islamic Republic of)], E-mail: sjalili@nano.ipm.ac.ir; Majidi, Roya [Department of Physics, Shahid Beheshti University, Tehran (Iran, Islamic Republic of)

    2008-10-01

    The effect of impurities on the electronic properties of MgO is investigated using the full potential linearized augmented plane-wave plus local-orbitals method based on density functional theory. The electronic band structures and density of states of MgO in the presence of Ca, Li, and Na impurities were calculated. It is found that increasing the amount of Ca impurity decreases the energy band gap and increases the width of the upper part of the valence band. Some of the considered impurities (Li and Na) change the electronic properties of MgO extensively.

  17. The effect of impurities on the electronic properties of MgO

    International Nuclear Information System (INIS)

    Jalili, Seifollah; Majidi, Roya

    2008-01-01

    The effect of impurities on the electronic properties of MgO is investigated using the full potential linearized augmented plane-wave plus local-orbitals method based on density functional theory. The electronic band structures and density of states of MgO in the presence of Ca, Li, and Na impurities were calculated. It is found that increasing the amount of Ca impurity decreases the energy band gap and increases the width of the upper part of the valence band. Some of the considered impurities (Li and Na) change the electronic properties of MgO extensively

  18. Influence of electron irradiation on the structural and thermal properties of silk fibroin films

    Energy Technology Data Exchange (ETDEWEB)

    Asha, S.; Sangappa,; Sanjeev, Ganesh, E-mail: ganeshanjeev@rediffmail.com [Department of Studies in Physics, Mangalore University, Mangalagangotri, Mangalore - 574 199 (India)

    2015-06-24

    Radiation-induced changes in Bombyx mori silk fibroin (SF) films under electron irradiation were investigated and correlated with dose. SF films were irradiated in air at room temperature using 8 MeV electron beam in the range 0-150 kGy. Various properties of the irradiated SF films were studied using X-ray diffraction (XRD), Differential Scanning Calorimetry (DSC) and Thermogravimetric Analysis (TGA). Electron irradiation was found to induce changes in the physical and thermal properties, depending on the radiation dose.

  19. Structure-property effects on mechanical, friction and wear properties of electron modified PTFE filled EPDM composite

    Directory of Open Access Journals (Sweden)

    2009-01-01

    Full Text Available Tribological properties of Ethylene-Propylene-Diene-rubber (EPDM containing electron modified Polytetrafluoroethylene (PTFE have been investiagted with the help of pin on disk tribometer without lubrication for a testing time of 2 hrs in atmospheric conditions at a sliding speed and applied normal load of 0.05 m•s–1 and FN = 1 N, respectively. Radiation-induced chemical changes in electron modified PTFE powders were analyzed using Electron Spin Resonance (ESR and Fourier Transform Infrared (FTIR specroscopy to characterize the effects of compatibility and chemical coupling of modified PTFE powders with EPDM on mechanical, friction and wear properties. The composites showed different friction and wear behaviour due to unique morphology, dispersion behaviour and radiation functionalization of PTFE powders. In general, EPDM reinforced with electron modified PTFE powder demonstrated improvement both in mechanical and tribological properties. However, the enhanced compatibility of PTFE powder resulting from the specific chemical coupling of PTFE powder with EPDM has been found crucial for mechanical, friction and wear properties.

  20. Electronic and optical properties of 2D graphene-like ZnS: DFT calculations

    International Nuclear Information System (INIS)

    Lashgari, Hamed; Boochani, Arash; Shekaari, Ashkan; Solaymani, Shahram; Sartipi, Elmira; Mendi, Rohollah Taghavi

    2016-01-01

    Graphical abstract: - Highlights: • DFT has been applied to investigate the optical properties of 2D-ZnS and 3D-ZnS. • The electronic and the optical properties of 3D-ZnS and 2D-ZnS are compared. • At visible range of energies the transparency of 2D-ZnS is more than the 3D. - Abstract: Density-functional theory has been applied to investigate the electronic and optical properties of graphene-like two-dimensional ZnS in the (0001) direction of its Wurtzite phase. A comparison with 3D-ZnS has been carried out within the PBE- and EV-GGA. The electronic properties of 2D- and 3D-ZnS have been derived by the examination of the electronic band structures and density of states. The optical properties have been determined through the study of the dielectric function, reflectivity, electron loss function, refractive and extinction indices, the absorption index and optical conductivity. It is found that the transparency of 2D-ZnS is greater than the 3D over the visible range. A thorough study of the dielectric function has been performed so that the peaks and the transition bands have been specified. The electron loss function demonstrates that the plasmonic frequency for 2D- and 3D-ZnS is accrued at 11.22 and 19.93 eV within the PBE-GGA, respectively.