Scattering matrices of Lamb waves at irregular surface and void defects.

PubMed

Feng, Feilong; Shen, Jianzhong; Lin, Shuyu

2012-08-01

Time-harmonic solution of Lamb wave scattering in a plane-strain waveguide with irregular thickness is investigated based on stair-step discretization and stepwise mode matching. The transfer relations of the transmission matrices and reflection matrices are derived in both directions of the waveguide. With these, an explicit expression of the scattering matrix is derived. When the scattering region of an inner irregular defect is geometrically divided into several parts composed of sub-waveguides with variable thicknesses and void regions with vertical free edges corresponding to the plate surfaces, the scattering matrix of the whole region could then be derived by modal matching along the artificial boundaries, as explicit functions of all the scattering matrices of the sub-waveguides and reflection matrices of the free edges. The effectiveness of the formulation is examined by numerical examples; the calculated scattering coefficients are in good accordance with those obtained from numerical simulation models. Copyright © 2012 Elsevier B.V. All rights reserved.

RINGMesh: A programming library for developing mesh-based geomodeling applications

NASA Astrophysics Data System (ADS)

Pellerin, Jeanne; Botella, Arnaud; Bonneau, François; Mazuyer, Antoine; Chauvin, Benjamin; Lévy, Bruno; Caumon, Guillaume

2017-07-01

RINGMesh is a C++ open-source programming library for manipulating discretized geological models. It is designed to ease the development of applications and workflows that use discretized 3D models. It is neither a geomodeler, nor a meshing software. RINGMesh implements functionalities to read discretized surface-based or volumetric structural models and to check their validity. The models can be then exported in various file formats. RINGMesh provides data structures to represent geological structural models, either defined by their discretized boundary surfaces, and/or by discretized volumes. A programming interface allows to develop of new geomodeling methods, and to plug in external software. The goal of RINGMesh is to help researchers to focus on the implementation of their specific method rather than on tedious tasks common to many applications. The documented code is open-source and distributed under the modified BSD license. It is available at https://www.ring-team.org/index.php/software/ringmesh.

Modeling Transport of Turbulent Fluxes in a Heterogeneous Urban Canopy Using a Spatially Explicit Energy Balance

NASA Astrophysics Data System (ADS)

Moody, M.; Bailey, B.; Stoll, R., II

2017-12-01

Understanding how changes in the microclimate near individual plants affects the surface energy budget is integral to modeling land-atmosphere interactions and a wide range of near surface atmospheric boundary layer phenomena. In urban areas, the complex geometry of the urban canopy layer results in large spatial deviations of turbulent fluxes further complicating the development of models. Accurately accounting for this heterogeneity in order to model urban energy and water use requires a sub-plant level understanding of microclimate variables. We present analysis of new experimental field data taken in and around two Blue Spruce (Picea pungens) trees at the University of Utah in 2015. The test sites were chosen in order study the effects of heterogeneity in an urban environment. An array of sensors were placed in and around the conifers to quantify transport in the soil-plant-atmosphere continuum: radiative fluxes, temperature, sap fluxes, etc. A spatial array of LEMS (Local Energy Measurement Systems) were deployed to obtain pressure, surrounding air temperature and relative humidity. These quantities are used to calculate the radiative and turbulent fluxes. Relying on measurements alone is insufficient to capture the complexity of microclimate distribution as one reaches sub-plant scales. A spatially-explicit radiation and energy balance model previously developed for deciduous trees was extended to include conifers. The model discretizes the tree into isothermal sub-volumes on which energy balances are performed and utilizes incoming radiation as the primary forcing input. The radiative transfer component of the model yields good agreement between measured and modeled upward longwave and shortwave radiative fluxes. Ultimately, the model was validated through an examination of the full energy budget including radiative and turbulent fluxes through isolated Picea pungens in an urban environment.

An advanced environment for hybrid modeling of biological systems based on modelica.

PubMed

Pross, Sabrina; Bachmann, Bernhard

2011-01-20

Biological systems are often very complex so that an appropriate formalism is needed for modeling their behavior. Hybrid Petri Nets, consisting of time-discrete Petri Net elements as well as continuous ones, have proven to be ideal for this task. Therefore, a new Petri Net library was implemented based on the object-oriented modeling language Modelica which allows the modeling of discrete, stochastic and continuous Petri Net elements by differential, algebraic and discrete equations. An appropriate Modelica-tool performs the hybrid simulation with discrete events and the solution of continuous differential equations. A special sub-library contains so-called wrappers for specific reactions to simplify the modeling process. The Modelica-models can be connected to Simulink-models for parameter optimization, sensitivity analysis and stochastic simulation in Matlab. The present paper illustrates the implementation of the Petri Net component models, their usage within the modeling process and the coupling between the Modelica-tool Dymola and Matlab/Simulink. The application is demonstrated by modeling the metabolism of Chinese Hamster Ovary Cells.

Active control of turbomachine discrete tones

NASA Technical Reports Server (NTRS)

Fleeter, Sanford

1994-01-01

This paper was directed at active control of discrete frequency noise generated by subsonic blade rows through cancellation of the blade row interaction generated propagating acoustic waves. First discrete frequency noise generated by a rotor and stator in a duct was analyzed to determine the propagating acoustic pressure waves. Then a mathematical model was developed to analyze and predict the active control of discrete frequency noise generated by subsonic blade rows through cancellation of the propagating acoustic waves, accomplished by utilizing oscillating airfoil surfaces to generate additional control propagating pressure waves. These control waves interact with the propagating acoustic waves, thereby, in principle, canceling the acoustic waves and thus, the far field discrete frequency tones. This model was then applied to a fan exit guide vane to investigate active airfoil surface techniques for control of the propagating acoustic waves, and thus the far field discrete frequency tones, generated by blade row interactions.

Active control of turbomachine discrete tones

NASA Astrophysics Data System (ADS)

Fleeter, Sanford

This paper was directed at active control of discrete frequency noise generated by subsonic blade rows through cancellation of the blade row interaction generated propagating acoustic waves. First discrete frequency noise generated by a rotor and stator in a duct was analyzed to determine the propagating acoustic pressure waves. Then a mathematical model was developed to analyze and predict the active control of discrete frequency noise generated by subsonic blade rows through cancellation of the propagating acoustic waves, accomplished by utilizing oscillating airfoil surfaces to generate additional control propagating pressure waves. These control waves interact with the propagating acoustic waves, thereby, in principle, canceling the acoustic waves and thus, the far field discrete frequency tones. This model was then applied to a fan exit guide vane to investigate active airfoil surface techniques for control of the propagating acoustic waves, and thus the far field discrete frequency tones, generated by blade row interactions.

Neutrinos and flavor symmetries

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

Tanimoto, Morimitsu

2015-07-15

We discuss the recent progress of flavor models with the non-Abelian discrete symmetry in the lepton sector focusing on the θ{sub 13} and CP violating phase. In both direct approach and indirect approach of the flavor symmetry, the non-vanishing θ{sub 13} is predictable. The flavor symmetry with the generalised CP symmetry can also predicts the CP violating phase. We show the phenomenological analyses of neutrino mixing for the typical flavor models.

Surface metrics: An alternative to patch metrics for the quantification of landscape structure

Treesearch

Kevin McGarigal; Sermin Tagil; Samuel A. Cushman

2009-01-01

Modern landscape ecology is based on the patch mosaic paradigm, in which landscapes are conceptualized and analyzed as mosaics of discrete patches. While this model has been widely successful, there are many situations where it is more meaningful to model landscape structure based on continuous rather than discrete spatial heterogeneity. The growing field of surface...

Passive Seismic Monitoring for Rockfall at Yucca Mountain: Concept Tests

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

Cheng, J; Twilley, K; Murvosh, H

2003-03-03

For the purpose of proof-testing a system intended to remotely monitor rockfall inside a potential radioactive waste repository at Yucca Mountain, a system of seismic sub-arrays will be deployed and tested on the surface of the mountain. The goal is to identify and locate rockfall events remotely using automated data collecting and processing techniques. We install seismometers on the ground surface, generate seismic energy to simulate rockfall in underground space beneath the array, and interpret the surface response to discriminate and locate the event. Data will be analyzed using matched-field processing, a generalized beam forming method for localizing discrete signals.more » Software is being developed to facilitate the processing. To date, a three-component sub-array has been installed and successfully tested.« less

Robust feature detection and local classification for surfaces based on moment analysis.

PubMed

Clarenz, Ulrich; Rumpf, Martin; Telea, Alexandru

2004-01-01

The stable local classification of discrete surfaces with respect to features such as edges and corners or concave and convex regions, respectively, is as quite difficult as well as indispensable for many surface processing applications. Usually, the feature detection is done via a local curvature analysis. If concerned with large triangular and irregular grids, e.g., generated via a marching cube algorithm, the detectors are tedious to treat and a robust classification is hard to achieve. Here, a local classification method on surfaces is presented which avoids the evaluation of discretized curvature quantities. Moreover, it provides an indicator for smoothness of a given discrete surface and comes together with a built-in multiscale. The proposed classification tool is based on local zero and first moments on the discrete surface. The corresponding integral quantities are stable to compute and they give less noisy results compared to discrete curvature quantities. The stencil width for the integration of the moments turns out to be the scale parameter. Prospective surface processing applications are the segmentation on surfaces, surface comparison, and matching and surface modeling. Here, a method for feature preserving fairing of surfaces is discussed to underline the applicability of the presented approach.

{omega} meson production in pp collisions with a polarized beam

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

Balasubramanyam, J.; Venkataraya,; Ramachandran, G.

2008-07-15

Model independent formulas are derived for the beam analyzing power A{sub y} and beam to meson spin transfers in pp{yields}pp{omega}, taking into consideration all six threshold partial wave amplitudes f{sub 1},...,f{sub 6} covering the Ss, Sp, and Ps channels. It is shown that the lowest three partial wave amplitudes f{sub 1},f{sub 2},f{sub 3} can be determined empirically without any discrete ambiguities. Partial information with regard to the amplitudes f{sub 4},f{sub 5},f{sub 6} covering the Ps channel may be extracted, if the measurements are carried through at the double differential level.

Wind Tunnel Application of a Pressure-Sensitive Paint Technique to a Double Delta Wing Model at Subsonic and Transonic Speeds

NASA Technical Reports Server (NTRS)

Erickson, Gary E.; Gonzalez, Hugo A.

2006-01-01

A pressure-sensitive paint (PSP) technique was applied in a wind tunnel experiment in the NASA Langley Research Center 8-Foot Transonic Pressure Tunnel to study the effect of wing fillets on the global vortex induced surface static pressure field about a sharp leading-edge 76 deg./40 deg. double delta wing, or strake-wing, model at subsonic and transonic speeds. Global calibrations of the PSP were obtained at M(sub infinity) = 0.50, 0.70, 0.85, 0.95, and 1.20, a Reynolds number per unit length of 2.0 million, and angles of attack from 10 degrees to 20 degrees using an insitu method featuring the simultaneous acquisition of electronically scanned pressures (ESP) at discrete locations on the model. The mean error in the PSP measurements relative to the ESP data was approximately 2 percent or less at M(sub infinity) = 0.50 to 0.85 but increased to several percent at M(sub infinity) =0.95 and 1.20. The PSP pressure distributions and pseudo-colored, planform-view pressure maps clearly revealed the vortex-induced pressure signatures at all Mach numbers and angles of attack. Small fillets having parabolic or diamond planforms situated at the strake-wing intersection were respectively designed to manipulate the vortical flows by removing the leading-edge discontinuity or introducing additional discontinuities. The fillets caused global changes in the vortex-dominated surface pressure field that were effectively captured in the PSP measurements. The vortex surface pressure signatures were compared to available off-surface vortex cross-flow structures obtained using a laser vapor screen (LVS) flow visualization technique. The fillet effects on the PSP pressure distributions and the observed leading-edge vortex flow characteristics were consistent with the trends in the measured lift, drag, and pitching moment coefficients.

A general gridding, discretization, and coarsening methodology for modeling flow in porous formations with discrete geological features

NASA Astrophysics Data System (ADS)

Karimi-Fard, M.; Durlofsky, L. J.

2016-10-01

A comprehensive framework for modeling flow in porous media containing thin, discrete features, which could be high-permeability fractures or low-permeability deformation bands, is presented. The key steps of the methodology are mesh generation, fine-grid discretization, upscaling, and coarse-grid discretization. Our specialized gridding technique combines a set of intersecting triangulated surfaces by constructing approximate intersections using existing edges. This procedure creates a conforming mesh of all surfaces, which defines the internal boundaries for the volumetric mesh. The flow equations are discretized on this conforming fine mesh using an optimized two-point flux finite-volume approximation. The resulting discrete model is represented by a list of control-volumes with associated positions and pore-volumes, and a list of cell-to-cell connections with associated transmissibilities. Coarse models are then constructed by the aggregation of fine-grid cells, and the transmissibilities between adjacent coarse cells are obtained using flow-based upscaling procedures. Through appropriate computation of fracture-matrix transmissibilities, a dual-continuum representation is obtained on the coarse scale in regions with connected fracture networks. The fine and coarse discrete models generated within the framework are compatible with any connectivity-based simulator. The applicability of the methodology is illustrated for several two- and three-dimensional examples. In particular, we consider gas production from naturally fractured low-permeability formations, and transport through complex fracture networks. In all cases, highly accurate solutions are obtained with significant model reduction.

Reactanceless synthesized impedance bandpass amplifier

NASA Technical Reports Server (NTRS)

Kleinberg, L. L. (Inventor)

1985-01-01

An active R bandpass filter network is formed by four operational amplifier stages interconnected by discrete resistances. One pair of stages synthesize an equivalent input impedance of an inductance (L sub eq) in parallel with a discrete resistance (R sub o) while the second pair of stages synthesizes an equivalent input impedance of a capacitance (C sub eq) serially coupled to another discrete resistance (R sub i) coupled in parallel with the first two stages. The equivalent input impedances aggregately define a tuned resonant bandpass filter in the roll-off regions of the operational amplifiers.

Designing perturbative metamaterials from discrete models.

PubMed

Matlack, Kathryn H; Serra-Garcia, Marc; Palermo, Antonio; Huber, Sebastian D; Daraio, Chiara

2018-04-01

Identifying material geometries that lead to metamaterials with desired functionalities presents a challenge for the field. Discrete, or reduced-order, models provide a concise description of complex phenomena, such as negative refraction, or topological surface states; therefore, the combination of geometric building blocks to replicate discrete models presenting the desired features represents a promising approach. However, there is no reliable way to solve such an inverse problem. Here, we introduce 'perturbative metamaterials', a class of metamaterials consisting of weakly interacting unit cells. The weak interaction allows us to associate each element of the discrete model with individual geometric features of the metamaterial, thereby enabling a systematic design process. We demonstrate our approach by designing two-dimensional elastic metamaterials that realize Veselago lenses, zero-dispersion bands and topological surface phonons. While our selected examples are within the mechanical domain, the same design principle can be applied to acoustic, thermal and photonic metamaterials composed of weakly interacting unit cells.

Modeling individual differences in text reading fluency: a different pattern of predictors for typically developing and dyslexic readers

PubMed Central

Zoccolotti, Pierluigi; De Luca, Maria; Marinelli, Chiara V.; Spinelli, Donatella

2014-01-01

This study was aimed at predicting individual differences in text reading fluency. The basic proposal included two factors, i.e., the ability to decode letter strings (measured by discrete pseudo-word reading) and integration of the various sub-components involved in reading (measured by Rapid Automatized Naming, RAN). Subsequently, a third factor was added to the model, i.e., naming of discrete digits. In order to use homogeneous measures, all contributing variables considered the entire processing of the item, including pronunciation time. The model, which was based on commonality analysis, was applied to data from a group of 43 typically developing readers (11- to 13-year-olds) and a group of 25 chronologically matched dyslexic children. In typically developing readers, both orthographic decoding and integration of reading sub-components contributed significantly to the overall prediction of text reading fluency. The model prediction was higher (from ca. 37 to 52% of the explained variance) when we included the naming of discrete digits variable, which had a suppressive effect on pseudo-word reading. In the dyslexic readers, the variance explained by the two-factor model was high (69%) and did not change when the third factor was added. The lack of a suppression effect was likely due to the prominent individual differences in poor orthographic decoding of the dyslexic children. Analyses on data from both groups of children were replicated by using patches of colors as stimuli (both in the RAN task and in the discrete naming task) obtaining similar results. We conclude that it is possible to predict much of the variance in text-reading fluency using basic processes, such as orthographic decoding and integration of reading sub-components, even without taking into consideration higher-order linguistic factors such as lexical, semantic and contextual abilities. The approach validity of using proximal vs. distal causes to predict reading fluency is discussed. PMID:25477856

Modelling Near-Surface Metallic Clutter Without the Excruciating Pain

NASA Astrophysics Data System (ADS)

Downs, C. M.; Weiss, C. J.; Bach, J.; Williams, J. T.

2016-12-01

An ongoing problem in modeling electromagnetic (EM) interactions with the near-surface and related anthropogenic metal clutter is the large difference in length scale between the clutter dimensions and their resulting EM response. For example, observational evidence shows that cables, pipes and rail lines can have a strong influence far from where they are located, even in situations where these artefacts are volumetrically insignificant over the scale of the model. This poses a significant modeling problem for understanding geohazards in urban environments, for example, because of the very fine numerical discretization required for accurate representation of an artefact embedded in a larger computational domain. We adopt a sub-grid approximation and impose a boundary condition along grid edges to capture the vanishing fields of a perfect conductor. We work in a Cartesian system where the EM fields are solved via finite volumes in the frequency domain in terms of the Lorenz gauged magnetic vector (A) and electric scalar (Phi) potentials. The electric fied is given simply by A-grad(Phi), and set identically to zero along edges of the mesh that coincide with the center of long, slender metallic conductors. A simple extension to bulky artefacts like blocks or slabs involves endowing all such edges in their interior with the same "internal" boundary condition. In essence, we apply the "perfect electric conductor" boundary condition to select edges interior to the modeling domain. We note a few minor numerical consequences of this approach, namely: the zero-E field internal boundary condition destroys the symmetry of the finite volume coefficient matrix; and, the accuracy of the representation of the conducting artefact is restricted by the relatively coarse discretization mesh. The former is overcome with the use of preconditioned bi-conjugate gradient methods instead of the quasi-minimal-residual method. Both are matrix-free iterative solvers - thus avoiding unnecessary storage- and both exhibit generally good convergence for well-posed problems. The latter is more difficult to overcome without either modifying the mesh (potentially degrading the condition number of the coefficient matrix) or with novel mesh sub-gridding. Initial results show qualitative agreement with the expected physics.

Effects of image charges, interfacial charge discreteness, and surface roughness on the zeta potential of spherical electric double layers.

PubMed

Gan, Zecheng; Xing, Xiangjun; Xu, Zhenli

2012-07-21

We investigate the effects of image charges, interfacial charge discreteness, and surface roughness on spherical electric double layer structures in electrolyte solutions with divalent counterions in the setting of the primitive model. By using Monte Carlo simulations and the image charge method, the zeta potential profile and the integrated charge distribution function are computed for varying surface charge strengths and salt concentrations. Systematic comparisons were carried out between three distinct models for interfacial charges: (1) SURF1 with uniform surface charges, (2) SURF2 with discrete point charges on the interface, and (3) SURF3 with discrete interfacial charges and finite excluded volume. By comparing the integrated charge distribution function and the zeta potential profile, we argue that the potential at the distance of one ion diameter from the macroion surface is a suitable location to define the zeta potential. In SURF2 model, we find that image charge effects strongly enhance charge inversion for monovalent interfacial charges, and strongly suppress charge inversion for multivalent interfacial charges. For SURF3, the image charge effect becomes much smaller. Finally, with image charges in action, we find that excluded volumes (in SURF3) suppress charge inversion for monovalent interfacial charges and enhance charge inversion for multivalent interfacial charges. Overall, our results demonstrate that all these aspects, i.e., image charges, interfacial charge discreteness, their excluding volumes, have significant impacts on zeta potentials of electric double layers.

VDM: a model for vector dark matter

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

Farzan, Yasaman; RezaeiAkbarieh, Amin, E-mail: yasaman@theory.ipm.ac.ir, E-mail: am_rezaei@physics.sharif.ir

2012-10-01

We construct a model based on a new U(1){sub X} gauge symmetry and a discrete Z{sub 2} symmetry under which the new gauge boson is odd. The model contains new complex scalars which carry U(1){sub X} charge but are singlets of the Standard Model. The U(1){sub X} symmetry is spontaneously broken but the Z{sub 2} symmetry is maintained, making the new gauge boson a dark matter candidate. In the minimal version there is only one complex scalar field but by extending the number of scalars to two, the model will enjoy rich phenomenology which comes in various phases. In onemore » phase, CP is spontaneously broken. In the other phase, an accidental Z{sub 2} symmetry appears which makes one of the scalars stable and therefore a dark matter candidate along with the vector boson. We discuss the discovery potential of the model by colliders as well as the direct dark matter searches.« less

Intramolecular amide bonds stabilize pili on the surface of bacilli

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

Budzik, Jonathan M.; Poor, Catherine B.; Faull, Kym F.

Gram-positive bacteria elaborate pili and do so without the participation of folding chaperones or disulfide bond catalysts. Sortases, enzymes that cut pilin precursors, form covalent bonds that link pilin subunits and assemble pili on the bacterial surface. We determined the x-ray structure of BcpA, the major pilin subunit of Bacillus cereus. The BcpA precursor encompasses 2 Ig folds (CNA{sub 2} and CNA{sub 3}) and one jelly-roll domain (XNA) each of which synthesizes a single intramolecular amide bond. A fourth amide bond, derived from the Ig fold of CNA{sub 1}, is formed only after pilin subunits have been incorporated into pili.more » We report that the domains of pilin precursors have evolved to synthesize a discrete sequence of intramolecular amide bonds, thereby conferring structural stability and protease resistance to pili.« less

A Novel Image Compression Algorithm for High Resolution 3D Reconstruction

NASA Astrophysics Data System (ADS)

Siddeq, M. M.; Rodrigues, M. A.

2014-06-01

This research presents a novel algorithm to compress high-resolution images for accurate structured light 3D reconstruction. Structured light images contain a pattern of light and shadows projected on the surface of the object, which are captured by the sensor at very high resolutions. Our algorithm is concerned with compressing such images to a high degree with minimum loss without adversely affecting 3D reconstruction. The Compression Algorithm starts with a single level discrete wavelet transform (DWT) for decomposing an image into four sub-bands. The sub-band LL is transformed by DCT yielding a DC-matrix and an AC-matrix. The Minimize-Matrix-Size Algorithm is used to compress the AC-matrix while a DWT is applied again to the DC-matrix resulting in LL2, HL2, LH2 and HH2 sub-bands. The LL2 sub-band is transformed by DCT, while the Minimize-Matrix-Size Algorithm is applied to the other sub-bands. The proposed algorithm has been tested with images of different sizes within a 3D reconstruction scenario. The algorithm is demonstrated to be more effective than JPEG2000 and JPEG concerning higher compression rates with equivalent perceived quality and the ability to more accurately reconstruct the 3D models.

Effects of undercutting and sliding on calving: a global approach applied to Kronebreen, Svalbard

NASA Astrophysics Data System (ADS)

Vallot, Dorothée; Åström, Jan; Zwinger, Thomas; Pettersson, Rickard; Everett, Alistair; Benn, Douglas I.; Luckman, Adrian; van Pelt, Ward J. J.; Nick, Faezeh; Kohler, Jack

2018-02-01

In this paper, we study the effects of basal friction, sub-aqueous undercutting and glacier geometry on the calving process by combining six different models in an offline-coupled workflow: a continuum-mechanical ice flow model (Elmer/Ice), a climatic mass balance model, a simple subglacial hydrology model, a plume model, an undercutting model and a discrete particle model to investigate fracture dynamics (Helsinki Discrete Element Model, HiDEM). We demonstrate the feasibility of reproducing the observed calving retreat at the front of Kronebreen, a tidewater glacier in Svalbard, during a melt season by using the output from the first five models as input to HiDEM. Basal sliding and glacier motion are addressed using Elmer/Ice, while calving is modelled by HiDEM. A hydrology model calculates subglacial drainage paths and indicates two main outlets with different discharges. Depending on the discharge, the plume model computes frontal melt rates, which are iteratively projected to the actual front of the glacier at subglacial discharge locations. This produces undercutting of different sizes, as melt is concentrated close to the surface for high discharge and is more diffuse for low discharge. By testing different configurations, we show that undercutting plays a key role in glacier retreat and is necessary to reproduce observed retreat in the vicinity of the discharge locations during the melting season. Calving rates are also influenced by basal friction, through its effects on near-terminus strain rates and ice velocity.

Numerical investigation for the impact of CO2 geologic sequestration on regional groundwater flow

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

Yamamoto, H.; Zhang, K.; Karasaki, K.

Large-scale storage of carbon dioxide in saline aquifers may cause considerable pressure perturbation and brine migration in deep rock formations, which may have a significant influence on the regional groundwater system. With the help of parallel computing techniques, we conducted a comprehensive, large-scale numerical simulation of CO{sub 2} geologic storage that predicts not only CO{sub 2} migration, but also its impact on regional groundwater flow. As a case study, a hypothetical industrial-scale CO{sub 2} injection in Tokyo Bay, which is surrounded by the most heavily industrialized area in Japan, was considered, and the impact of CO{sub 2} injection on near-surfacemore » aquifers was investigated, assuming relatively high seal-layer permeability (higher than 10 microdarcy). A regional hydrogeological model with an area of about 60 km x 70 km around Tokyo Bay was discretized into about 10 million gridblocks. To solve the high-resolution model efficiently, we used a parallelized multiphase flow simulator TOUGH2-MP/ECO2N on a world-class high performance supercomputer in Japan, the Earth Simulator. In this simulation, CO{sub 2} was injected into a storage aquifer at about 1 km depth under Tokyo Bay from 10 wells, at a total rate of 10 million tons/year for 100 years. Through the model, we can examine regional groundwater pressure buildup and groundwater migration to the land surface. The results suggest that even if containment of CO{sub 2} plume is ensured, pressure buildup on the order of a few bars can occur in the shallow confined aquifers over extensive regions, including urban inlands.« less

Dislocation pileup as a representation of strain accumulation on a strike-slip fault

USGS Publications Warehouse

Savage, J.C.

2006-01-01

The conventional model of strain accumulation on a vertical transform fault is a discrete screw dislocation in an elastic half-space with the Burgers vector of the dislocation increasing at the rate of relative plate motion. It would be more realistic to replace that discrete dislocation by a dislocation distribution, presumably a pileup in which the individual dislocations are in equilibrium. The length of the pileup depends upon the applied stress and the amount of slip that has occurred at depth. I argue here that the dislocation pileup (the transition on the fault from no slip to slip at the full plate rate) occupies a substantial portion of the lithosphere thickness. A discrete dislocation at an adjustable depth can reproduce the surface deformation profile predicted by a pileup so closely that it will be difficult to distinguish between the two models. The locking depth (dislocation depth) of that discrete dislocation approximation is substantially (???30%) larger than that (depth to top of the pileup) in the pileup model. Thus, in inverting surface deformation data using the discrete dislocation model, the locking depth in the model should not be interpreted as the true locking depth. Although dislocation pileup models should provide a good explanation of the surface deformation near the fault trace, that explanation may not be adequate at greater distances from the fault trace because approximating the expected horizontally distributed deformation at subcrustal depths by uniform slip concentrated on the fault is not justified.

Acid-base properties of aqueous illite surfaces

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

Du, Q.; Sun, Z.; Forsling, W.

In this paper, the acid-base properties of illite/water suspensions are examined using the constant capacitance surface complexation model. On the basis of results of potentiometric titrations and solubility experiments, the authors conclude that the proton reactions in the supernatants of illite suspensions can be successfully represented by proton reactions of Al(H{sub 2}O){sub 6}{sup 3+} and Si(OH){sub 4} in water solutions. For illustrating the acidic characteristics of aqueous illite surfaces, two surface protonation models are proposed: (1) one site-one pK{sub a} model, {triple_bond}SOH {r_reversible} {triple_bond}SO{sup {minus}} + H{sup +}, pK{sub a}{sup int} = 4.12-4.23; (2) two sites-two pK{sub a}s model, {triple_bond}S{submore » 1}OH {r_reversible} {triple_bond}S{sup 1}O{sup {minus}} + H{sup +}, pK{sub a{sub I}} = 4.17-4.44, and {triple_bond}S{sub II}OH {r_reversible} {triple_bond}S{sub II}O{sup {minus}} + H{sup +}, pK{sub a{sub II}}{sup int} = 6.35-7.74. Evaluation of these two models indicates that both of them can give good descriptions of the experimental data of systems with different illite concentrations and ionic strengths and that the one site-one pK{sub a} model can be considered as a simplification of the two sites-two pK{sub a}s model. Since both models assume only deprotonation reactions at the illite surfaces, they suggest that the surface behavior of the illite is similar to that of amorphous SiO{sub 2}. Model assumptions, experimental procedures, and evaluative criteria are detailed in the paper.« less

Stochastic-Strength-Based Damage Simulation of Ceramic Matrix Composite Laminates

NASA Technical Reports Server (NTRS)

Nemeth, Noel N.; Mital, Subodh K.; Murthy, Pappu L. N.; Bednarcyk, Brett A.; Pineda, Evan J.; Bhatt, Ramakrishna T.; Arnold, Steven M.

2016-01-01

The Finite Element Analysis-Micromechanics Analysis Code/Ceramics Analysis and Reliability Evaluation of Structures (FEAMAC/CARES) program was used to characterize and predict the progressive damage response of silicon-carbide-fiber-reinforced reaction-bonded silicon nitride matrix (SiC/RBSN) composite laminate tensile specimens. Studied were unidirectional laminates [0] (sub 8), [10] (sub 8), [45] (sub 8), and [90] (sub 8); cross-ply laminates [0 (sub 2) divided by 90 (sub 2),]s; angled-ply laminates [plus 45 (sub 2) divided by -45 (sub 2), ]s; doubled-edge-notched [0] (sub 8), laminates; and central-hole laminates. Results correlated well with the experimental data. This work was performed as a validation and benchmarking exercise of the FEAMAC/CARES program. FEAMAC/CARES simulates stochastic-based discrete-event progressive damage of ceramic matrix composite and polymer matrix composite material structures. It couples three software programs: (1) the Micromechanics Analysis Code with Generalized Method of Cells (MAC/GMC), (2) the Ceramics Analysis and Reliability Evaluation of Structures Life Prediction Program (CARES/Life), and (3) the Abaqus finite element analysis program. MAC/GMC contributes multiscale modeling capabilities and micromechanics relations to determine stresses and deformations at the microscale of the composite material repeating-unit-cell (RUC). CARES/Life contributes statistical multiaxial failure criteria that can be applied to the individual brittle-material constituents of the RUC, and Abaqus is used to model the overall composite structure. For each FEAMAC/CARES simulation trial, the stochastic nature of brittle material strength results in random, discrete damage events that incrementally progress until ultimate structural failure.

New simple A{sub 4} neutrino model for nonzero {theta}{sub 13} and large {delta}{sub CP}

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

Ishimori, Hajime

In a new simple application of the non-Abelian discrete symmetry A{sub 4} to charged-lepton and neutrino mass matrices, we show that for the current experimental central value of sin{sup 2} 2{theta}{sub 13} Asymptotically-Equal-To 0.1, leptonic CP violation is necessarily large, i.e. Double-Vertical-Line tan{delta}{sub CP} Double-Vertical-Line > 1.3. We also consider T{sub 7} model with one parameter to be complex, thus allowing for one Dirac CP phase {delta}{sub CP} and two Majorana CP phases {alpha}{sub 1,2}. We find a slight modification to this correlation as a function of {delta}{sub CP}. For a given set of input values of {Delta}m{sup 2}{sub 21},more » {Delta}m{sup 2}{sub 32}, {theta}{sub 12}, and {theta}{sub 13}, we obtain sin{sup 2} 2{theta}{sub 23} and m{sub ee} (the effective Majorana neutrino mass in neutrinoless double beta decay) as functions of tan {delta}{sub CP}. We find that the structure of this model always yields small Double-Vertical-Line tan {delta}{sub CP} Double-Vertical-Line .« less

Temporal variations in supraglacial debris distribution on Baltoro Glacier, Karakoram between 2001 and 2012

NASA Astrophysics Data System (ADS)

Gibson, Morgan J.; Glasser, Neil F.; Quincey, Duncan J.; Mayer, Christoph; Rowan, Ann V.; Irvine-Fynn, Tristram D. L.

2017-10-01

Distribution of supraglacial debris in a glacier system varies spatially and temporally due to differing rates of debris input, transport and deposition. Supraglacial debris distribution governs the thickness of a supraglacial debris layer, an important control on the amount of ablation that occurs under such a debris layer. Characterising supraglacial debris layer thickness on a glacier is therefore key to calculating ablation across a glacier surface. The spatial pattern of debris thickness on Baltoro Glacier has previously been calculated for one discrete point in time (2004) using satellite thermal data and an empirically based relationship between supraglacial debris layer thickness and debris surface temperature identified in the field. Here, the same empirically based relationship was applied to two further datasets (2001, 2012) to calculate debris layer thickness across Baltoro Glacier for three discrete points over an 11-year period (2001, 2004, 2012). Surface velocity and sediment flux were also calculated, as well as debris thickness change between periods. Using these outputs, alongside geomorphological maps of Baltoro Glacier produced for 2001, 2004 and 2012, spatiotemporal changes in debris distribution for a sub-decadal timescale were investigated. Sediment flux remained constant throughout the 11-year period. The greatest changes in debris thickness occurred along medial moraines, the locations of mass movement deposition and areas of interaction between tributary glaciers and the main glacier tongue. The study confirms the occurrence of spatiotemporal changes in supraglacial debris layer thickness on sub-decadal timescales, independent of variation in surface velocity. Instead, variation in rates of debris distribution are primarily attributed to frequency and magnitude of mass movement events over decadal timescales, with climate, regional uplift and erosion rates expected to control debris inputs over centurial to millennial timescales. Inclusion of such spatiotemporal variations in debris thickness in distributed surface energy balance models would increase the accuracy of calculated ablation, leading to a more accurate simulation of glacier mass balance through time, and greater precision in quantification of the response of debris-covered glaciers to climatic change.

Discrimination between discrete and continuum scattering from the sub-seafloor.

PubMed

Holland, Charles W; Steininger, Gavin; Dosso, Stan E

2015-08-01

There is growing evidence that seabed scattering is often dominated by heterogeneities within the sediment volume as opposed to seafloor roughness. From a theoretical viewpoint, sediment volume heterogeneities can be described either by a fluctuation continuum or by discrete particles. In at-sea experiments, heterogeneity characteristics generally are not known a priori. Thus, an uninformed model selection is generally made, i.e., the researcher must arbitrarily select either a discrete or continuum model. It is shown here that it is possible to (acoustically) discriminate between continuum and discrete heterogeneities in some instances. For example, when the spectral exponent γ3>4, the volume scattering cannot be described by discrete particles. Conversely, when γ3≤2, the heterogeneities likely arise from discrete particles. Furthermore, in the range 2<γ3≤4 it is sometimes possible to discriminate via physical bounds on the parameter values. The ability to so discriminate is important, because there are few tools for measuring small scale, O(10(-2) to 10(1)) m, sediment heterogeneities over large areas. Therefore, discriminating discrete vs continuum heterogeneities via acoustic remote sensing may lead to improved observations and concomitant increased understanding of the marine benthic environment.

Three-dimensional turbulent-mixing-length modeling for discrete-hole coolant injection into a crossflow

NASA Technical Reports Server (NTRS)

Wang, C. R.; Papell, S. S.

1983-01-01

Three dimensional mixing length models of a flow field immediately downstream of coolant injection through a discrete circular hole at a 30 deg angle into a crossflow were derived from the measurements of turbulence intensity. To verify their effectiveness, the models were used to estimate the anisotropic turbulent effects in a simplified theoretical and numerical analysis to compute the velocity and temperature fields. With small coolant injection mass flow rate and constant surface temperature, numerical results of the local crossflow streamwise velocity component and surface heat transfer rate are consistent with the velocity measurement and the surface film cooling effectiveness distributions reported in previous studies.

Three-dimensional turbulent-mixing-length modeling for discrete-hole coolant injection into a crossflow

NASA Astrophysics Data System (ADS)

Wang, C. R.; Papell, S. S.

1983-09-01

Three dimensional mixing length models of a flow field immediately downstream of coolant injection through a discrete circular hole at a 30 deg angle into a crossflow were derived from the measurements of turbulence intensity. To verify their effectiveness, the models were used to estimate the anisotropic turbulent effects in a simplified theoretical and numerical analysis to compute the velocity and temperature fields. With small coolant injection mass flow rate and constant surface temperature, numerical results of the local crossflow streamwise velocity component and surface heat transfer rate are consistent with the velocity measurement and the surface film cooling effectiveness distributions reported in previous studies.

A hybrid HDRF model of GOMS and SAIL: GOSAIL

NASA Astrophysics Data System (ADS)

Dou, B.; Wu, S.; Wen, J.

2016-12-01

Understanding the surface reflectance anisotropy is the key facet in interpreting the features of land surface from remotely sensed information, which describes the property of land surface to reflect the solar radiation directionally. Most reflectance anisotropy models assumed the nature surface was illuminated only by the direct solar radiation, while the diffuse skylight becomes dominant especially for the over cast sky conditions and high rugged terrain. Correcting the effect of diffuse skylight on the reflectance anisotropy to obtain the intrinsic directional reflectance of land surface is highly desirable for remote sensing applications. This paper developed a hybrid HDRF model of GOMS and SAIL called GOSAIL model for discrete canopies. The accurate area proportions of four scene components are calculated by the GOMS model and the spectral signatures of scene components are provided by the SAIL model. Both the single scattering contribution and the multiple scattering contributions within and between the canopy and background under the clear and diffuse illumination conditions are considered in the GOSAIL model. The HDRF simulated by the 3-D Discrete Anisotropic Radiative Transfer (DART) model and the HDRF measurements over the 100m×100m mature pine stand at the Järvselja, Estonia are used for validating and evaluating the performance of proposed GOSAIL model. The comparison results indicate the GOSAIL model can accurately reproducing the angular feature of discrete canopy for both the clear and overcast atmospheric conditions. The GOSAIL model is promising for the land surface biophysical parameters retrieval (e.g. albedo, leaf area index) over the heterogeneous terrain.

TMV Disk Scaffolds for Making sub-30 nm Silver Nanorings.

PubMed

Bayram, Serene; Zahr, Omar; Del Re, Julia; Blum, Amy Szuchmacher

2018-01-01

Nanosized bioscaffolds can be utilized to tackle the challenge of size reduction of metallic rings owing to their miniature features as well as their well-known biomineralization capacity. The tobacco mosaic virus coat protein is used as a command surface to grow and assemble silver nanoparticles into sub-30 nm rings. The versatility of TMV allows the formation of both solid silver rings and rings consisting of discrete silver nanoparticles. The pH-dependent coulombic surface map along with the annular geometry of the protein aggregate allow the generation of rings with or without a central nanoparticle. Our silver rings are believed to be the smallest to date, and they can offer a test material for existing theories on metallic nanorings of this heretofore unreached size scale.

X-33 Hypersonic Boundary Layer Transition

NASA Technical Reports Server (NTRS)

Berry, Scott A.; Horvath, Thomas J.; Hollis, Brian R.; Thompson, Richard A.; Hamilton, H. Harris, II

1999-01-01

Boundary layer and aeroheating characteristics of several X-33 configurations have been experimentally examined in the Langley 20-Inch Mach 6 Air Tunnel. Global surface heat transfer distributions, surface streamline patterns, and shock shapes were measured on 0.013-scale models at Mach 6 in air. Parametric variations include angles-of-attack of 20-deg, 30-deg, and 40-deg; Reynolds numbers based on model length of 0.9 to 6.6 million; and body-flap deflections of 0, 10 and 20-deg. The effects of discrete and distributed roughness elements on boundary layer transition, which included trip height, size, location, and distribution, both on and off the windward centerline, were investigated. The discrete roughness results on centerline were used to provide a transition correlation for the X-33 flight vehicle that was applicable across the range of reentry angles of attack. The attachment line discrete roughness results were shown to be consistent with the centerline results, as no increased sensitivity to roughness along the attachment line was identified. The effect of bowed panels was qualitatively shown to be less effective than the discrete trips; however, the distributed nature of the bowed panels affected a larger percent of the aft-body windward surface than a single discrete trip.

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

Kitzmann, D., E-mail: daniel.kitzmann@csh.unibe.ch

Carbon dioxide ice clouds are thought to play an important role for cold terrestrial planets with thick CO{sub 2} dominated atmospheres. Various previous studies showed that a scattering greenhouse effect by carbon dioxide ice clouds could result in a massive warming of the planetary surface. However, all of these studies only employed simplified two-stream radiative transfer schemes to describe the anisotropic scattering. Using accurate radiative transfer models with a general discrete ordinate method, this study revisits this important effect and shows that the positive climatic impact of carbon dioxide clouds was strongly overestimated in the past. The revised scattering greenhousemore » effect can have important implications for the early Mars, but also for planets like the early Earth or the position of the outer boundary of the habitable zone.« less

A note on the R sub 0-parameter for discrete memoryless channels

NASA Technical Reports Server (NTRS)

Mceliece, R. J.

1980-01-01

An explicit class of discrete memoryless channels (q-ary erasure channels) is exhibited. Practical and explicit coded systems of rate R with R/R sub o as large as desired can be designed for this class.

Conditioning of the Stable, Discrete-time Lyapunov Operator

NASA Technical Reports Server (NTRS)

Tippett, Michael K.; Cohn, Stephen E.; Todling, Ricardo; Marchesin, Dan

2000-01-01

The Schatten p-norm condition of the discrete-time Lyapunov operator L(sub A) defined on matrices P is identical with R(sup n X n) by L(sub A) P is identical with P - APA(sup T) is studied for stable matrices A is a member of R(sup n X n). Bounds are obtained for the norm of L(sub A) and its inverse that depend on the spectrum, singular values and radius of stability of A. Since the solution P of the the discrete-time algebraic Lyapunov equation (DALE) L(sub A)P = Q can be ill-conditioned only when either L(sub A) or Q is ill-conditioned, these bounds are useful in determining whether P admits a low-rank approximation, which is important in the numerical solution of the DALE for large n.

A fast semi-discrete Kansa method to solve the two-dimensional spatiotemporal fractional diffusion equation

NASA Astrophysics Data System (ADS)

Sun, HongGuang; Liu, Xiaoting; Zhang, Yong; Pang, Guofei; Garrard, Rhiannon

2017-09-01

Fractional-order diffusion equations (FDEs) extend classical diffusion equations by quantifying anomalous diffusion frequently observed in heterogeneous media. Real-world diffusion can be multi-dimensional, requiring efficient numerical solvers that can handle long-term memory embedded in mass transport. To address this challenge, a semi-discrete Kansa method is developed to approximate the two-dimensional spatiotemporal FDE, where the Kansa approach first discretizes the FDE, then the Gauss-Jacobi quadrature rule solves the corresponding matrix, and finally the Mittag-Leffler function provides an analytical solution for the resultant time-fractional ordinary differential equation. Numerical experiments are then conducted to check how the accuracy and convergence rate of the numerical solution are affected by the distribution mode and number of spatial discretization nodes. Applications further show that the numerical method can efficiently solve two-dimensional spatiotemporal FDE models with either a continuous or discrete mixing measure. Hence this study provides an efficient and fast computational method for modeling super-diffusive, sub-diffusive, and mixed diffusive processes in large, two-dimensional domains with irregular shapes.

General formulation for magnetohydrodynamic wave propagation, fire-hose, and mirror instabilities in Harris-type current sheets

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

Hau, L.-N.; Department of Physics, National Central University, Jhongli, Taiwan; Lai, Y.-T.

Harris-type current sheets with the magnetic field model of B-vector=B{sub x}(z)x-caret+B{sub y}(z)y-caret have many important applications to space, astrophysical, and laboratory plasmas for which the temperature or pressure usually exhibits the gyrotropic form of p{r_reversible}=p{sub Parallel-To }b-caretb-caret+p{sub Up-Tack }(I{r_reversible}-b-caretb-caret). Here, p{sub Parallel-To} and p{sub Up-Tack} are, respectively, to be the pressure component along and perpendicular to the local magnetic field, b-caret=B-vector/B. This study presents the general formulation for magnetohydrodynamic (MHD) wave propagation, fire-hose, and mirror instabilities in general Harris-type current sheets. The wave equations are expressed in terms of the four MHD characteristic speeds of fast, intermediate, slow, and cuspmore » waves, and in the local (k{sub Parallel-To },k{sub Up-Tack },z) coordinates. Here, k{sub Parallel-To} and k{sub Up-Tack} are, respectively, to be the wave vector along and perpendicular to the local magnetic field. The parameter regimes for the existence of discrete and resonant modes are identified, which may become unstable at the local fire-hose and mirror instability thresholds. Numerical solutions for discrete eigenmodes are shown for stable and unstable cases. The results have important implications for the anomalous heating and stability of thin current sheets.« less

Antarctic lakes (above and beneath the ice sheet): Analogues for Mars

NASA Technical Reports Server (NTRS)

Rice, J. W., Jr.

1992-01-01

The perennial ice covered lakes of the Antarctic are considered to be excellent analogues to lakes that once existed on Mars. Field studies of ice covered lakes, paleolakes, and polar beaches were conducted in the Bunger Hills Oasis, Eastern Antarctica. These studies are extended to the Dry Valleys, Western Antarctica, and the Arctic. Important distinctions were made between ice covered and non-ice covered bodies of water in terms of the geomorphic signatures produced. The most notable landforms produced by ice covered lakes are ice shoved ridges. These features form discrete segmented ramparts of boulders and sediments pushed up along the shores of lakes and/or seas. Sub-ice lakes have been discovered under the Antarctic ice sheet using radio echo sounding. These lakes occur in regions of low surface slope, low surface accumulations, and low ice velocity, and occupy bedrock hollows. The presence of sub-ice lakes below the Martian polar caps is possible. The discovery of the Antarctic sub-ice lakes raises possibilities concerning Martian lakes and exobiology.

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

Mineo, H.; Kuo, J. L.; Niu, Y. L.

The results of application of the quantum-mechanical adiabatic theory to vibrational predissociation (VPD) of water dimers, (H{sub 2}O){sub 2} and (D{sub 2}O){sub 2}, are presented. We consider the VPD processes including the totally symmetric OH mode of the dimer and the bending mode of the fragment. The VPD in the adiabatic representation is induced by breakdown of the vibrational adiabatic approximation, and two types of nonadiabatic coupling matrix elements are involved: one provides the VPD induced by the low-frequency dissociation mode and the other provides the VPD through channel interactions induced by the low-frequency modes. The VPD rate constants weremore » calculated using the Fermi golden rule expression. A closed form for the nonadiabatic transition matrix element between the discrete and continuum states was derived in the Morse potential model. All of the parameters used were obtained from the potential surfaces of the water dimers, which were calculated by the density functional theory procedures. The VPD rate constants for the two processes were calculated in the non-Condon scheme beyond the so-called Condon approximation. The channel interactions in and between the initial and final states were taken into account, and those are found to increase the VPD rates by 3(1) orders of magnitude for the VPD processes in (H{sub 2}O){sub 2} ((D{sub 2}O){sub 2}). The fraction of the bending-excited donor fragments is larger than that of the bending-excited acceptor fragments. The results obtained by quantum-mechanical approach are compared with both experimental and quasi-classical trajectory calculation results.« less

Constructing irregular surfaces to enclose macromolecular complexes for mesoscale modeling using the discrete surface charge optimization (DISCO) algorithm.

PubMed

Zhang, Qing; Beard, Daniel A; Schlick, Tamar

2003-12-01

Salt-mediated electrostatics interactions play an essential role in biomolecular structures and dynamics. Because macromolecular systems modeled at atomic resolution contain thousands of solute atoms, the electrostatic computations constitute an expensive part of the force and energy calculations. Implicit solvent models are one way to simplify the model and associated calculations, but they are generally used in combination with standard atomic models for the solute. To approximate electrostatics interactions in models on the polymer level (e.g., supercoiled DNA) that are simulated over long times (e.g., milliseconds) using Brownian dynamics, Beard and Schlick have developed the DiSCO (Discrete Surface Charge Optimization) algorithm. DiSCO represents a macromolecular complex by a few hundred discrete charges on a surface enclosing the system modeled by the Debye-Hückel (screened Coulombic) approximation to the Poisson-Boltzmann equation, and treats the salt solution as continuum solvation. DiSCO can represent the nucleosome core particle (>12,000 atoms), for example, by 353 discrete surface charges distributed on the surfaces of a large disk for the nucleosome core particle and a slender cylinder for the histone tail; the charges are optimized with respect to the Poisson-Boltzmann solution for the electric field, yielding a approximately 5.5% residual. Because regular surfaces enclosing macromolecules are not sufficiently general and may be suboptimal for certain systems, we develop a general method to construct irregular models tailored to the geometry of macromolecules. We also compare charge optimization based on both the electric field and electrostatic potential refinement. Results indicate that irregular surfaces can lead to a more accurate approximation (lower residuals), and the refinement in terms of the electric field is more robust. We also show that surface smoothing for irregular models is important, that the charge optimization (by the TNPACK minimizer) is efficient and does not depend on the initial assigned values, and that the residual is acceptable when the distance to the model surface is close to, or larger than, the Debye length. We illustrate applications of DiSCO's model-building procedure to chromatin folding and supercoiled DNA bound to Hin and Fis proteins. DiSCO is generally applicable to other interesting macromolecular systems for which mesoscale models are appropriate, to yield a resolution between the all-atom representative and the polymer level. Copyright 2003 Wiley Periodicals, Inc. J Comput Chem 24: 2063-2074, 2003

A discrete geometric approach for simulating the dynamics of thin viscous threads

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

Audoly, B., E-mail: audoly@lmm.jussieu.fr; Clauvelin, N.; Brun, P.-T.

We present a numerical model for the dynamics of thin viscous threads based on a discrete, Lagrangian formulation of the smooth equations. The model makes use of a condensed set of coordinates, called the centerline/spin representation: the kinematic constraints linking the centerline's tangent to the orientation of the material frame is used to eliminate two out of three degrees of freedom associated with rotations. Based on a description of twist inspired from discrete differential geometry and from variational principles, we build a full-fledged discrete viscous thread model, which includes in particular a discrete representation of the internal viscous stress. Consistencymore » of the discrete model with the classical, smooth equations for thin threads is established formally. Our numerical method is validated against reference solutions for steady coiling. The method makes it possible to simulate the unsteady behavior of thin viscous threads in a robust and efficient way, including the combined effects of inertia, stretching, bending, twisting, large rotations and surface tension.« less

The Canadian Hydrological Model (CHM): A multi-scale, variable-complexity hydrological model for cold regions

NASA Astrophysics Data System (ADS)

Marsh, C.; Pomeroy, J. W.; Wheater, H. S.

2016-12-01

There is a need for hydrological land surface schemes that can link to atmospheric models, provide hydrological prediction at multiple scales and guide the development of multiple objective water predictive systems. Distributed raster-based models suffer from an overrepresentation of topography, leading to wasted computational effort that increases uncertainty due to greater numbers of parameters and initial conditions. The Canadian Hydrological Model (CHM) is a modular, multiphysics, spatially distributed modelling framework designed for representing hydrological processes, including those that operate in cold-regions. Unstructured meshes permit variable spatial resolution, allowing coarse resolutions at low spatial variability and fine resolutions as required. Model uncertainty is reduced by lessening the necessary computational elements relative to high-resolution rasters. CHM uses a novel multi-objective approach for unstructured triangular mesh generation that fulfills hydrologically important constraints (e.g., basin boundaries, water bodies, soil classification, land cover, elevation, and slope/aspect). This provides an efficient spatial representation of parameters and initial conditions, as well as well-formed and well-graded triangles that are suitable for numerical discretization. CHM uses high-quality open source libraries and high performance computing paradigms to provide a framework that allows for integrating current state-of-the-art process algorithms. The impact of changes to model structure, including individual algorithms, parameters, initial conditions, driving meteorology, and spatial/temporal discretization can be easily tested. Initial testing of CHM compared spatial scales and model complexity for a spring melt period at a sub-arctic mountain basin. The meshing algorithm reduced the total number of computational elements and preserved the spatial heterogeneity of predictions.

Multi-model groundwater-management optimization: reconciling disparate conceptual models

NASA Astrophysics Data System (ADS)

Timani, Bassel; Peralta, Richard

2015-09-01

Disagreement among policymakers often involves policy issues and differences between the decision makers' implicit utility functions. Significant disagreement can also exist concerning conceptual models of the physical system. Disagreement on the validity of a single simulation model delays discussion on policy issues and prevents the adoption of consensus management strategies. For such a contentious situation, the proposed multi-conceptual model optimization (MCMO) can help stakeholders reach a compromise strategy. MCMO computes mathematically optimal strategies that simultaneously satisfy analogous constraints and bounds in multiple numerical models that differ in boundary conditions, hydrogeologic stratigraphy, and discretization. Shadow prices and trade-offs guide the process of refining the first MCMO-developed `multi-model strategy into a realistic compromise management strategy. By employing automated cycling, MCMO is practical for linear and nonlinear aquifer systems. In this reconnaissance study, MCMO application to the multilayer Cache Valley (Utah and Idaho, USA) river-aquifer system employs two simulation models with analogous background conditions but different vertical discretization and boundary conditions. The objective is to maximize additional safe pumping (beyond current pumping), subject to constraints on groundwater head and seepage from the aquifer to surface waters. MCMO application reveals that in order to protect the local ecosystem, increased groundwater pumping can satisfy only 40 % of projected water demand increase. To explore the possibility of increasing that pumping while protecting the ecosystem, MCMO clearly identifies localities requiring additional field data. MCMO is applicable to other areas and optimization problems than used here. Steps to prepare comparable sub-models for MCMO use are area-dependent.

PBSM3D: A finite volume, scalar-transport blowing snow model for use with variable resolution meshes

NASA Astrophysics Data System (ADS)

Marsh, C.; Wayand, N. E.; Pomeroy, J. W.; Wheater, H. S.; Spiteri, R. J.

2017-12-01

Blowing snow redistribution results in heterogeneous snowcovers that are ubiquitous in cold, windswept environments. Capturing this spatial and temporal variability is important for melt and runoff simulations. Point scale blowing snow transport models are difficult to apply in fully distributed hydrological models due to landscape heterogeneity and complex wind fields. Many existing distributed snow transport models have empirical wind flow and/or simplified wind direction algorithms that perform poorly in calculating snow redistribution where there are divergent wind flows, sharp topography, and over large spatial extents. Herein, a steady-state scalar transport model is discretized using the finite volume method (FVM), using parameterizations from the Prairie Blowing Snow Model (PBSM). PBSM has been applied in hydrological response units and grids to prairie, arctic, glacier, and alpine terrain and shows a good capability to represent snow redistribution over complex terrain. The FVM discretization takes advantage of the variable resolution mesh in the Canadian Hydrological Model (CHM) to ensure efficient calculations over small and large spatial extents. Variable resolution unstructured meshes preserve surface heterogeneity but result in fewer computational elements versus high-resolution structured (raster) grids. Snowpack, soil moisture, and streamflow observations were used to evaluate CHM-modelled outputs in a sub-arctic and an alpine basin. Newly developed remotely sensed snowcover indices allowed for validation over large basins. CHM simulations of snow hydrology were improved by inclusion of the blowing snow model. The results demonstrate the key role of snow transport processes in creating pre-melt snowcover heterogeneity and therefore governing post-melt soil moisture and runoff generation dynamics.

Plutonium weathering on Johnston Atoll

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

Wolf, S.E.; Bates, J.K.; Buck, E.C.

1995-12-31

Johnston Atoll was contaminated with transuranic elements, particularly plutonium, by atmospheric nuclear weapons tests and aborted nuclear devices. Initial cleanup operations and and an extensive soil remediation program were performed. However, many areas contained a low-level continuum of activity, and subsurface contamination has been detected. Discrete hot particles and contaminated soil were characterized to determine whether the spread of activity was caused by weathering. Analytical techniques included gamma spectrometry, alpha spectrometry, and inductively coupled plasma-mass spectrometry to determine transuranic elemental and isotopic composition. Ultrafiltration and small-particle handling techniques were employed to isolate individual particles. Optical microscopy, scanning electron microscopy, analyticalmore » transmission electron microscopy, energy dispersive X-ray spectroscopy, and electron energy loss spectroscopy were used to characterize individual particles. Analyses of the hot particles showed that they are aborted nuclear warhead fragments that been melted and weathered in the presence of water and CaCO{sub 3}. It was concluded that the formation of aqueous ionic (Pu/Am)-CO{sub 3} coordinated complexes, during environmental exposure to large volumes of rainwater and carbonate-satured seawater, enhanced the solubility of transuranic elements. The (Pu/Am)-CO{sub 3} complexes sorbed onto colloidal CaCO{sub 3} and coral soil surfaces as they were exposed to rain and seawater. This mechanism led to greater dispersal of plutonium and americium than would be expected by physical transport of discrete hot particles alone.« less

Modeling Film-Coolant Flow Characteristics at the Exit of Shower-Head Holes

NASA Technical Reports Server (NTRS)

Garg, Vijay K.; Gaugler, R. E. (Technical Monitor)

2000-01-01

The coolant flow characteristics at the hole exits of a film-cooled blade are derived from an earlier analysis where the hole pipes and coolant plenum were also discretized. The blade chosen is the VKI rotor with three staggered rows of shower-head holes. The present analysis applies these flow characteristics at the shower-head hole exits. A multi-block three-dimensional Navier-Stokes code with Wilcox's k-omega model is used to compute the heat transfer coefficient on the film-cooled turbine blade. A reasonably good comparison with the experimental data as well as with the more complete earlier analysis where the hole pipes and coolant plenum were also gridded is obtained. If the 1/7th power law is assumed for the coolant flow characteristics at the hole exits, considerable differences in the heat transfer coefficient on the blade surface, specially in the leading-edge region, are observed even though the span-averaged values of h (heat transfer coefficient based on T(sub o)-T(sub w)) match well with the experimental data. This calls for span-resolved experimental data near film-cooling holes on a blade for better validation of the code.

Task Space Angular Velocity Blending for Real-Time Trajectory Generation

NASA Technical Reports Server (NTRS)

Volpe, Richard A. (Inventor)

1997-01-01

The invention is embodied in a method of controlling a robot manipulator moving toward a target frame F(sub 0) with a target velocity v(sub 0) including a linear target velocity v and an angular target velocity omega(sub 0) to smoothly and continuously divert the robot manipulator to a subsequent frame F(sub 1) by determining a global transition velocity v(sub 1), the global transition velocity including a linear transition velocity v(sub 1) and an angular transition velocity omega(sub 1), defining a blend time interval 2(tau)(sub 0) within which the global velocity of the robot manipulator is to be changed from a global target velocity v(sub 0) to the global transition velocity v(sub 1) and dividing the blend time interval 2(tau)(sub 0) into discrete time segments (delta)t. During each one of the discrete time segments delta t of the blend interval 2(tau)(sub 0), a blended global velocity v of the manipulator is computed as a blend of the global target velocity v(sub 0) and the global transition velocity v(sub 1), the blended global velocity v including a blended angular velocity omega and a blended linear velocity v, and then, the manipulator is rotated by an incremental rotation corresponding to an integration of the blended angular velocity omega over one discrete time segment (delta)t.

Implosive accretion and outbursts of active galactic nuclei

NASA Technical Reports Server (NTRS)

Lovelace, R. V. E.; Romanova, M. M.; Newman, W. I.

1994-01-01

A model and simulation code have been developed for time-dependent axisymmetric disk accretion onto a compact object including for the first time the influence of an ordered magnetic field. The accretion rate and radiative luminosity of the disk are naturally coupled to the rate of outflow of energy and angular momentum in magnetically driven (+/- z) winds. The magnetic field of the wind is treated in a phenomenological way suggested by self-consistent wind solutions. The radial accretion speed u(r, t) of the disk matter is shown to be the sum of the usual viscous contribution and a magnetic contribution proportional to r(exp 3/2)(B(sub p exp 2))/sigma, where B(sub p)(r,t) is the poloidal field threading the disk and sigma(r,t) is the disk's surface mass density. An enhancement or variation in B(sub p) at a large radial distance leads to the formation of a soliton-like structure in the disk density, temperature, and B-field which propagates implosively inward. The implosion gives a burst in the power output in winds or jets and a simultaneous burst in the disk radiation. The model is pertinent to the formation of discrete fast-moving components in jets observed by very long baseline interferometry. These components appear to originate at times of optical outbursts of the active galactic nucleus.

A microscale three-dimensional urban energy balance model for studying surface temperatures

NASA Astrophysics Data System (ADS)

Krayenhoff, E. Scott; Voogt, James A.

2007-06-01

A microscale three-dimensional (3-D) urban energy balance model, Temperatures of Urban Facets in 3-D (TUF-3D), is developed to predict urban surface temperatures for a variety of surface geometries and properties, weather conditions, and solar angles. The surface is composed of plane-parallel facets: roofs, walls, and streets, which are further sub-divided into identical square patches, resulting in a 3-D raster-type model geometry. The model code is structured into radiation, conduction and convection sub-models. The radiation sub-model uses the radiosity approach and accounts for multiple reflections and shading of direct solar radiation. Conduction is solved by finite differencing of the heat conduction equation, and convection is modelled by empirically relating patch heat transfer coefficients to the momentum forcing and the building morphology. The radiation and conduction sub-models are tested individually against measurements, and the complete model is tested against full-scale urban surface temperature and energy balance observations. Modelled surface temperatures perform well at both the facet-average and the sub-facet scales given the precision of the observations and the uncertainties in the model inputs. The model has several potential applications, such as the calculation of radiative loads, and the investigation of effective thermal anisotropy (when combined with a sensor-view model).

The proper weighting function for retrieving temperatures from satellite measured radiances

NASA Technical Reports Server (NTRS)

Arking, A.

1976-01-01

One class of methods for converting satellite measured radiances into atmospheric temperature profiles, involves a linearization of the radiative transfer equation: delta r = the sum of (W sub i) (delta T sub i) where (i=1...s) and where delta T sub i is the deviation of the temperature in layer i from that of a reference atmosphere, delta R is the difference in the radiance at satellite altitude from the corresponding radiance for the reference atmosphere, and W sub i is the discrete (or vector) form of the T-weighting (i.e., temperature weighting) function W(P), where P is pressure. The top layer of the atmosphere corresponds to i = 1, the bottom layer to i = s - 1, and i = s refers to the surface. Linearization in temperature (or some function of temperature) is at the heart of all linear or matrix methods. The weighting function that should be used is developed.

Catalyst comprising Ir or Ir and Ru for hydrazine decomposition

NASA Technical Reports Server (NTRS)

Armstrong, Warren E. (Inventor); Voge, Hervey H. (Inventor); Ryland, Lloyd B. (Inventor)

1978-01-01

A catalyst for hydrazine decomposition consisting essentially of a carrier having a pore volume of at least 0.1 cubic centimeters per gram and a specific surface area, measured in square meters per gram, equal to 195 (C.sub.p + 0.013 + 0.736 V.sub.p) where C.sub.p is the specific heat capacity of the carrier at about 25.degree. C in calories per gram per degree and V.sub.p is the pore volume of the carrier in cubic centimeters per gram and metal of the group consisting of iridium, and mixtures consisting of iridium and ruthenium deposited on said carrier in an amount between 20% and about 40% by weight of the catalyst and distributed through the pores thereof in discrete particles sufficiently separated from each other so that they do not sinter or fuse together when the catalyst is at hydrazine decomposition temperature.

Universal discrete Fourier optics RF photonic integrated circuit architecture.

PubMed

Hall, Trevor J; Hasan, Mehedi

2016-04-04

This paper describes a coherent electro-optic circuit architecture that generates a frequency comb consisting of N spatially separated orders using a generalised Mach-Zenhder interferometer (MZI) with its N × 1 combiner replaced by an optical N × N Discrete Fourier Transform (DFT). Advantage may be taken of the tight optical path-length control, component and circuit symmetries and emerging trimming algorithms offered by photonic integration in any platform that offers linear electro-optic phase modulation such as LiNbO_3, silicon, III-V or hybrid technology. The circuit architecture subsumes all MZI-based RF photonic circuit architectures in the prior art given an appropriate choice of output port(s) and dimension N although the principal application envisaged is phase correlated subcarrier generation for all optical orthogonal frequency division multiplexing. A transfer matrix approach is used to model the operation of the architecture. The predictions of the model are validated by simulations performed using an industry standard software tool. Implementation is found to be practical.

Ionothermal synthesis and structural transformation targeted by ion exchange in metal-1,3,5-benzenetricarboxylate compounds

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

Xu, Qing-Qing; State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fuzhou, Fujian 350002; Liu, Bing

Ionothermal reactions of 1,3,5-benzenetricarboxylate acid (H{sub 3}BTC) and Ni(NO{sub 3}){sub 2}, Co(NO{sub 3}){sub 2} and Cu(NO{sub 3}){sub 2} gave two discrete 32-membered ring-like allomers, [M{sub 2}(HBTC){sub 2}(NH{sub 2}CONH{sub 2}){sub 2}(H{sub 2}O){sub 4}]·3H{sub 2}O (M=Ni(1), Co(2)) and one layered [Cu{sub 2}(BTC)Cl(H{sub 2}O){sub 4}] (3). The weak interactions in 1 can be deconstructed to some degree in ion exchange by exploring the factors of divalent and trivalent metal species, metal concentration and soaking time, which are demonstrated by PXRD and N{sub 2} absorption. Cu{sup 2+} has the highest N{sub 2} adsorbance when soaking with 1, and 1 can keep structure stable whenmore » Cu{sup 2+} below 0.16 mol L{sup −1} and the soaking time within 24d. As Cu{sup 2+} beyond 0.16 mol L{sup −1} and the soaking time beyond 24d, the structure of compound 1 starts to transform with the crystal morphology from clear pale green to opaque blue. Ionothermal reactions of compound 1 with different Cu{sup 2+} amounts obtained Ni{sup 2+}-Cu{sup 2+} hetero complexes, whose PXRD patterns are similar to that of 3 and EDS indicates Cu{sup 2+}% increases with Cu{sup 2+} additions and close to 100% as Cu{sup 2+} being 1.6 mmol. It suggests that 3 is a controlled product and Cu{sup 2+} can transform discrete compound 1 into 2D compound 3. - Graphical abstract: Three compounds were synthesized through ionothermal reactions. The weak interactions in compound 1 can be deconstructed by ion exchange and discrete compound 1 can be transformed into layered compound 3. - Highlights: • Two discrete ring-like and one layered compounds were ionothermally synthesized. • Metal species, metal concentration and soaking time deconstruct the H-bondings in 1. • 1 can be transformed to 3 through ionothermal reaction, otherwise forbidden.« less

Characterization of dissolved organic matter for prediction of trihalomethane formation potential in surface and sub-surface waters.

PubMed

Awad, John; van Leeuwen, John; Chow, Christopher; Drikas, Mary; Smernik, Ronald J; Chittleborough, David J; Bestland, Erick

2016-05-05

Dissolved organic matter (DOM) in surface waters used for drinking purposes can vary markedly in character dependent on their sources within catchments. The character of DOM further influences the formation of disinfection by products when precursor DOM present in drinking water reacts with chlorine during disinfection. Here we report the development of models that describe the formation potential of trihalomethanes (THMFP) dependent on the character of DOM in waters from discrete catchments with specific land-use and soil textures. DOM was characterized based on UV absorbance at 254 nm, apparent molecular weight and relative abundances of protein-like and humic-like compounds. DOM character and Br concentration (up to 0.5 mg/L) were used as variables in models (R(2)>0.93) of THMFP, which ranged from 19 to 649 μg/L. Chloroform concentration (12-594 μg/L) and relative abundance (27-99%) were first modeled (R(2)>0.85) and from these, the abundances of bromodichloromethane and chlorodibromomethane estimated using power and exponential functions, respectively (R(2)>0.98). From these, the abundance of bromoform is calculated. The proposed model may be used in risk assessment of catchment factors on formation of trihalomethanes in drinking water, in context of treatment efficiency for removal of organic matter. Crown Copyright © 2016. Published by Elsevier B.V. All rights reserved.

A micro-hydrology computation ordering algorithm

NASA Astrophysics Data System (ADS)

Croley, Thomas E.

1980-11-01

Discrete-distributed-parameter models are essential for watershed modelling where practical consideration of spatial variations in watershed properties and inputs is desired. Such modelling is necessary for analysis of detailed hydrologic impacts from management strategies and land-use effects. Trade-offs between model validity and model complexity exist in resolution of the watershed. Once these are determined, the watershed is then broken into sub-areas which each have essentially spatially-uniform properties. Lumped-parameter (micro-hydrology) models are applied to these sub-areas and their outputs are combined through the use of a computation ordering technique, as illustrated by many discrete-distributed-parameter hydrology models. Manual ordering of these computations requires fore-thought, and is tedious, error prone, sometimes storage intensive and least adaptable to changes in watershed resolution. A programmable algorithm for ordering micro-hydrology computations is presented that enables automatic ordering of computations within the computer via an easily understood and easily implemented "node" definition, numbering and coding scheme. This scheme and the algorithm are detailed in logic flow-charts and an example application is presented. Extensions and modifications of the algorithm are easily made for complex geometries or differing microhydrology models. The algorithm is shown to be superior to manual ordering techniques and has potential use in high-resolution studies.

Improving energy partitioning and the nighttime energy balance by implementation of a multi-layer energy budget in ORCHIDEE-CAN

NASA Astrophysics Data System (ADS)

Chen, Yiying; Ryder, James; Naudts, Kim; McGrath, Matthew J.; Otto, Juliane; Bastriko, Vladislav; Valade, Aude; Launiainen, Samuli; Ogée, Jérôme; Elbers, Jan A.; Foken, Thomas; Tiedemann, Frank; Heinesch, Bernard; Black, Andrew; Haverd, Vanessa; Loustau, Denis; Ottlé, Catherine; Peylin, Philippe; Polcher, Jan; Luyssaert, Sebastiaan

2015-04-01

Canopy structure is one of the most important vegetation characteristics for land-atmosphere interactions as it determines the energy and scalar exchanges between land surface and overlay air mass. In this study we evaluated the performance of a newly developed multi-layer energy budget (Ryder et al., 2014) in a land surface model, ORCHIDEE-CAN (Naudts et al., 2014), which simulates canopy structure and can be coupled to an atmospheric model using an implicit procedure. Furthermore, a vertical discrete drag parametrization scheme was also incorporated into this model, in order to obtain a better description of the sub-canopy wind profile simulation. Site level datasets, including the top-of-the-canopy and sub-canopy observations made available from eight flux observation sites, were collected in order to conduct this evaluation. The geo-location of the collected observation sites crossed climate zones from temperate to boreal and the vegetation types included deciduous, evergreen broad leaved and evergreen needle leaved forest with maximum LAI ranging from 2.1 to 7.0. First, we used long-term top-of-the-canopy measurements to analyze the performance of the current one-layer energy budget in ORCHIDEE-CAN. Three major processes were identified for improvement through the implementation of a multi-layer energy budget: 1) night time radiation balance, 2) energy partitioning during winter and 3) prediction of the ground heat flux. Short-term sub-canopy observations were used to calibrate the parameters in sub-canopy radiation, turbulence and resistances modules with an automatic tuning process following the maximum gradient of the user-defined objective function. The multi-layer model is able to capture the dynamic of sub-canopy turbulence, temperature and energy fluxes with imposed LAI profile and optimized parameter set at a site level calibration. The simulation result shows the improvement both on the nighttime energy balance and energy partitioning during winter and presents a better Taylor skill score, compared to the result from single layer simulation. The importance of using the multi-layer energy budget in a land surface model for coupling to the atmospheric model will also be discussed in this presentation. Reference: Ryder, J., J. Polcher, P. Peylin, C. Ottlé, Y. Chen, E. Van Gorsel, V. Haverd, M. J. McGrath, K.Naudts, J. Otto, A. Valade, and S. Luyssaert, 2014. "A multi-layer land surface energy budget model for implicit coupling with global atmospheric simulations", Geosci. Model Dev. Discuss. 7, 8649-8701 Naudts, K. J. Ryder, M. J. McGrath, J. Otto, Y. Chen, A. Valade, V. Bellasen, G. Berhongaray, G. Bönisch, M. Campioli, J. Ghattas, T. De Groote, V. Haverd, J. Kattge, N. MacBean, F. Maignan, P. Merilä, J. Penuelas, P. Peylin, B. Pinty, H. Pretzsch, E. D. Schulze, D. Solyga, N. Vuichard, Y. Yan, and S. Luyssaert, 2014. "A vertically discretised canopy description for ORCHIDEE (SVN r2290) and the modifications to the energy, water and carbon fluxes", Geosci. Model Dev. Discuss. 7, 8565-8647

Analog 65/130 nm CMOS 5 GHz Sub-Arrays with ROACH-2 FPGA Beamformers for Hybrid Aperture-Array Receivers

DTIC Science & Technology

2017-03-20

sub-array, which is based on all-pass filters (APFs) is realized using 130 nm CMOS technology. Approximate- discrete Fourier transform (a-DFT...fixed beams are directed at known directions [9]. The proposed approximate- discrete Fourier transform (a-DFT) based multi-beamformer [9] yields L...to digital conversion daughter board. occurs in the discrete time domain (in ROACH-2 FPGA platform) following signal digitization (see Figs. 1(d) and

Principles of the radiosity method versus radiative transfer for canopy reflectance modeling

NASA Technical Reports Server (NTRS)

Gerstl, Siegfried A. W.; Borel, Christoph C.

1992-01-01

The radiosity method is introduced to plant canopy reflectance modeling. We review the physics principles of the radiosity method which originates in thermal radiative transfer analyses when hot and cold surfaces are considered within a given enclosure. The radiosity equation, which is an energy balance equation for discrete surfaces, is described and contrasted with the radiative transfer equation, which is a volumetric energy balance equation. Comparing the strengths and weaknesses of the radiosity method and the radiative transfer method, we conclude that both methods are complementary to each other. Results of sample calculations are given for canopy models with up to 20,000 discrete leaves.

On the sub-model errors of a generalized one-way coupling scheme for linking models at different scales

NASA Astrophysics Data System (ADS)

Zeng, Jicai; Zha, Yuanyuan; Zhang, Yonggen; Shi, Liangsheng; Zhu, Yan; Yang, Jinzhong

2017-11-01

Multi-scale modeling of the localized groundwater flow problems in a large-scale aquifer has been extensively investigated under the context of cost-benefit controversy. An alternative is to couple the parent and child models with different spatial and temporal scales, which may result in non-trivial sub-model errors in the local areas of interest. Basically, such errors in the child models originate from the deficiency in the coupling methods, as well as from the inadequacy in the spatial and temporal discretizations of the parent and child models. In this study, we investigate the sub-model errors within a generalized one-way coupling scheme given its numerical stability and efficiency, which enables more flexibility in choosing sub-models. To couple the models at different scales, the head solution at parent scale is delivered downward onto the child boundary nodes by means of the spatial and temporal head interpolation approaches. The efficiency of the coupling model is improved either by refining the grid or time step size in the parent and child models, or by carefully locating the sub-model boundary nodes. The temporal truncation errors in the sub-models can be significantly reduced by the adaptive local time-stepping scheme. The generalized one-way coupling scheme is promising to handle the multi-scale groundwater flow problems with complex stresses and heterogeneity.

A more accurate scheme for calculating Earth's skin temperature

NASA Astrophysics Data System (ADS)

Tsuang, Ben-Jei; Tu, Chia-Ying; Tsai, Jeng-Lin; Dracup, John A.; Arpe, Klaus; Meyers, Tilden

2009-02-01

The theoretical framework of the vertical discretization of a ground column for calculating Earth’s skin temperature is presented. The suggested discretization is derived from the evenly heat-content discretization with the optimal effective thickness for layer-temperature simulation. For the same level number, the suggested discretization is more accurate in skin temperature as well as surface ground heat flux simulations than those used in some state-of-the-art models. A proposed scheme (“op(3,2,0)”) can reduce the normalized root-mean-square error (or RMSE/STD ratio) of the calculated surface ground heat flux of a cropland site significantly to 2% (or 0.9 W m-2), from 11% (or 5 W m-2) by a 5-layer scheme used in ECMWF, from 19% (or 8 W m-2) by a 5-layer scheme used in ECHAM, and from 74% (or 32 W m-2) by a single-layer scheme used in the UCLA GCM. Better accuracy can be achieved by including more layers to the vertical discretization. Similar improvements are expected for other locations with different land types since the numerical error is inherited into the models for all the land types. The proposed scheme can be easily implemented into state-of-the-art climate models for the temperature simulation of snow, ice and soil.

Morphology modification of gold nanoparticles from nanoshell to C-shape: Improved surface enhanced Raman scattering

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

Xing, Ting-Yang; Zhu, Jian; Li, Jian-Jun

Morphology modification of nanostructures is of great interest, because it can be used to fabricate nanostructures which are hard to be done using other methods. Different from traditional lithographic technique which is slow and expensive, morphology modification is easy, cheap, and reproducible. In this paper, modification of the optical and morphological properties of a hollow gold nanoshell (HGNS) is achieved by using H{sub 2}O{sub 2} as an oxidizer. The reshaping of these nanostructures has been demonstrated as a consequence of an oxidation process in which HGNSs are dissolved by H{sub 2}O{sub 2} under the acidic conditions provided by HCl. Wemore » investigate the oxidation process by a transmission electron microscope and propose a reshaping model involving four different shapes (HGNS, HGNS with hole, gold nanoring, and C-shaped gold nanoparticle) which are corresponding to the oxidation products of HGNSs at different pH values. Besides, the surface enhanced Raman scattering (SERS) activity of each oxidation product has been evaluated by using rhodamine 6G as the Raman active probe. It has been observed that the C-shaped gold nanoparticles which are corresponding to the oxidation products at the minimum pH value have the highest SERS activity and this result can also be interpreted by discrete-dipole approximation simulations. We demonstrate that the morphology modification of HGNSs becomes possible in a controlled manner using wet chemistry and can be used in preparation of gold nanoparticles such as HGNS with hole, gold nanoring, and C-shaped gold nanoparticle with large SERS activity. These nanostructures must have potential use in many plasmonic areas, including sensing, catalysis, and biomedicine.« less

On an LAS-integrated soft PLC system based on WorldFIP fieldbus.

PubMed

Liang, Geng; Li, Zhijun; Li, Wen; Bai, Yan

2012-01-01

Communication efficiency is lowered and real-time performance is not good enough in discrete control based on traditional WorldFIP field intelligent nodes in case that the scale of control in field is large. A soft PLC system based on WorldFIP fieldbus was designed and implemented. Link Activity Scheduler (LAS) was integrated into the system and field intelligent I/O modules acted as networked basic nodes. Discrete control logic was implemented with the LAS-integrated soft PLC system. The proposed system was composed of configuration and supervisory sub-systems and running sub-systems. The configuration and supervisory sub-system was implemented with a personal computer or an industrial personal computer; running subsystems were designed and implemented based on embedded hardware and software systems. Communication and schedule in the running subsystem was implemented with an embedded sub-module; discrete control and system self-diagnosis were implemented with another embedded sub-module. Structure of the proposed system was presented. Methodology for the design of the sub-systems was expounded. Experiments were carried out to evaluate the performance of the proposed system both in discrete and process control by investigating the effect of network data transmission delay induced by the soft PLC in WorldFIP network and CPU workload on resulting control performances. The experimental observations indicated that the proposed system is practically applicable. Copyright © 2011 ISA. Published by Elsevier Ltd. All rights reserved.

Discrete quantum dot like emitters in monolayer MoSe{sub 2}: Spatial mapping, magneto-optics, and charge tuning

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

Branny, Artur; Kumar, Santosh; Gerardot, Brian D., E-mail: b.d.gerardot@hw.ac.uk

Transition metal dichalcogenide monolayers such as MoSe{sub 2}, MoS{sub 2}, and WSe{sub 2} are direct bandgap semiconductors with original optoelectronic and spin-valley properties. Here we report on spectrally sharp, spatially localized emission in monolayer MoSe{sub 2}. We find this quantum dot-like emission in samples exfoliated onto gold substrates and also suspended flakes. Spatial mapping shows a correlation between the location of emitters and the existence of wrinkles (strained regions) in the flake. We tune the emission properties in magnetic and electric fields applied perpendicular to the monolayer plane. We extract an exciton g-factor of the discrete emitters close to −4,more » as for 2D excitons in this material. In a charge tunable sample, we record discrete jumps on the meV scale as charges are added to the emitter when changing the applied voltage.« less

Discrete space charge affected field emission: Flat and hemisphere emitters

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

Jensen, Kevin L., E-mail: kevin.jensen@nrl.navy.mil; Shiffler, Donald A.; Tang, Wilkin

Models of space-charge affected thermal-field emission from protrusions, able to incorporate the effects of both surface roughness and elongated field emitter structures in beam optics codes, are desirable but difficult. The models proposed here treat the meso-scale diode region separate from the micro-scale regions characteristic of the emission sites. The consequences of discrete emission events are given for both one-dimensional (sheets of charge) and three dimensional (rings of charge) models: in the former, results converge to steady state conditions found by theory (e.g., Rokhlenko et al. [J. Appl. Phys. 107, 014904 (2010)]) but show oscillatory structure as they do. Surfacemore » roughness or geometric features are handled using a ring of charge model, from which the image charges are found and used to modify the apex field and emitted current. The roughness model is shown to have additional constraints related to the discrete nature of electron charge. The ability of a unit cell model to treat field emitter structures and incorporate surface roughness effects inside a beam optics code is assessed.« less

A Random Forest Approach to Predict the Spatial Distribution ...

EPA Pesticide Factsheets

Modeling the magnitude and distribution of sediment-bound pollutants in estuaries is often limited by incomplete knowledge of the site and inadequate sample density. To address these modeling limitations, a decision-support tool framework was conceived that predicts sediment contamination from the sub-estuary to broader estuary extent. For this study, a Random Forest (RF) model was implemented to predict the distribution of a model contaminant, triclosan (5-chloro-2-(2,4-dichlorophenoxy)phenol) (TCS), in Narragansett Bay, Rhode Island, USA. TCS is an unregulated contaminant used in many personal care products. The RF explanatory variables were associated with TCS transport and fate (proxies) and direct and indirect environmental entry. The continuous RF TCS concentration predictions were discretized into three levels of contamination (low, medium, and high) for three different quantile thresholds. The RF model explained 63% of the variance with a minimum number of variables. Total organic carbon (TOC) (transport and fate proxy) was a strong predictor of TCS contamination causing a mean squared error increase of 59% when compared to permutations of randomized values of TOC. Additionally, combined sewer overflow discharge (environmental entry) and sand (transport and fate proxy) were strong predictors. The discretization models identified a TCS area of greatest concern in the northern reach of Narragansett Bay (Providence River sub-estuary), which was validated wi

Clash of symmetries in a Randall-Sundrum-like spacetime

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

Dando, Gareth; George, Damien P.; Volkas, Raymond R.

2005-08-15

We present a toy model that exhibits clash-of-symmetries style Higgs field kink configurations in a Randall-Sundrum-like spacetime. The model has two complex scalar fields {phi}{sub 1,2}, with a sextic potential obeying global U(1)xU(1) and discrete {phi}{sub 1}{r_reversible}{phi}{sub 2} interchange symmetries. The scalar fields are coupled to 4+1 dimensional gravity endowed with a bulk cosmological constant. We show that the coupled Einstein-Higgs field equations have an interesting analytic solution provided the sextic potential adopts a particular form. The 4+1 metric is shown to be that of a smoothed-out Randall-Sundrum type of spacetime. The thin-brane Randall-Sundrum limit, whereby the Higgs field kinksmore » become step functions, is carefully defined in terms of the fundamental parameters in the action. The 'clash-of-symmetries' feature, defined in previous papers, is manifested here through the fact that both of the U(1) symmetries are spontaneously broken at all nonasymptotic points in the extra dimension w. One of the U(1)'s is asymptotically restored as w{yields}-{infinity}, with the other U(1) restored as w{yields}+{infinity}. The spontaneously broken discrete symmetry ensures topological stability. In the gauged version of this model we find new flat-space solutions, but in the warped metric case we have been unable to find any solutions with nonzero gauge fields.« less

Meta-gated channel for the discrete control of electromagnetic fields

NASA Astrophysics Data System (ADS)

Yang, Rui; Wang, Hui; Shi, Ayuan; Zhang, Aofang; Wang, Jing; Gao, Dongxing; Lei, Zhenya; Hu, Bowei

2016-08-01

We demonstrate the meta-gate controlled wave propagation through multiple metallic plates with properly devised sub-wavelength defect apertures. Different from using gradient refractive-index meta-materials or phase-discontinuity meta-surfaces to produce the discrepancy between the incident angle and the refractive angle, our technique redirects electromagnetic fields by setting-up discrete transmission gateways between adjacent meta-gates and creates the perfect channels for the wave propagation. Electromagnetic fields can be assigned in the response of the driving frequency of meta-gates with extraordinary transmissions and propagate simply relying on their pre-set locations as illustrated by the meta-gate guided electromagnetic fields travelling in the paths of the Silk-Road and the contour line of Xi'an city where the Silk-Road starts. The meta-gate concept, offering the feasibility of the discrete control of electromagnetic fields with gating routes, may pave an alternative way for precisely transmitting of signals and efficiently sharing of resource in the communication.

Modeling the Interaction of Radiation Between Vegetation and the Seasonal Snowcover

NASA Astrophysics Data System (ADS)

Tribbeck, M. J.; Gurney, R. J.; Morris, E. M.; Pearson, D.

2001-12-01

Prediction of meltwater runoff is crucial to communities where the seasonal snowpack is the major water supply. Water is itself a vital resource and it carries nutrients both in solution and in suspension. Simulation of snowpack depletion at a point in open areas has previously been shown to produce accurate results using physically based models such as SNTHERM. However, the radiation balance is more complex under a forest canopy as radiation is scattered and absorbed by canopy elements. This can alter the timing and magnitude of snowpack runoff substantially. The interaction of radiation between a forest canopy and its underlying snowcover is modeled by the coupling of a physically based snow model and an optical and thermal radiation canopy model. The snow model, which is based on SNTHERM (Jordan, 1991), is a discrete, multi-layer, one-dimensional mass and energy budget model for snow and is formulated with an adaptive grid system that compresses with the compacting snowpack and allows retention of snowpack stratigraphy. The vegetation canopy model approximates the canopy as a series of discrete, randomly orientated elements that scatter and absorb optical and thermal radiation. Multiple scattering of radiation between canopy and snow surface is modeled to conserve energy. The coupled model SNOWCAN differs from other vegetation-snow models such as GORT or SNOBAL as it models the albedo feedback mechanism. This is important as the albedo both affects and is affected by (through grain growth) the radiation balance. SNOWCAN is driven by standard atmospheric variables (including incident solar and thermal radiation) measured outside of the canopy and simulates snowpack properties such as temperature and density profiles as well as the sub-canopy radiation balance. The coupled snow and vegetation energy budget model was used to simulate snow depth at an old jack pine site during the 1994 BOREAS campaign. Measured and simulated snow depth showed good agreement throughout the accumulation and ablation periods, yielding an r2 correlation coefficient of 0.94. The snowpack development was also simulated at a point site within a fir stand in Reynolds Creek Experimental Watershed, Idaho, USA for the water year 2000-2001. A sensitivity analysis was carried out and comparisons were made with field observations of snowpack properties and sub-canopy radiation data for model validation.

A Random Forest approach to predict the spatial distribution of sediment pollution in an estuarine system

PubMed Central

Kreakie, Betty J.; Cantwell, Mark G.; Nacci, Diane

2017-01-01

Modeling the magnitude and distribution of sediment-bound pollutants in estuaries is often limited by incomplete knowledge of the site and inadequate sample density. To address these modeling limitations, a decision-support tool framework was conceived that predicts sediment contamination from the sub-estuary to broader estuary extent. For this study, a Random Forest (RF) model was implemented to predict the distribution of a model contaminant, triclosan (5-chloro-2-(2,4-dichlorophenoxy)phenol) (TCS), in Narragansett Bay, Rhode Island, USA. TCS is an unregulated contaminant used in many personal care products. The RF explanatory variables were associated with TCS transport and fate (proxies) and direct and indirect environmental entry. The continuous RF TCS concentration predictions were discretized into three levels of contamination (low, medium, and high) for three different quantile thresholds. The RF model explained 63% of the variance with a minimum number of variables. Total organic carbon (TOC) (transport and fate proxy) was a strong predictor of TCS contamination causing a mean squared error increase of 59% when compared to permutations of randomized values of TOC. Additionally, combined sewer overflow discharge (environmental entry) and sand (transport and fate proxy) were strong predictors. The discretization models identified a TCS area of greatest concern in the northern reach of Narragansett Bay (Providence River sub-estuary), which was validated with independent test samples. This decision-support tool performed well at the sub-estuary extent and provided the means to identify areas of concern and prioritize bay-wide sampling. PMID:28738089

Numerical solution of the Saint-Venant equations by an efficient hybrid finite-volume/finite-difference method

NASA Astrophysics Data System (ADS)

Lai, Wencong; Khan, Abdul A.

2018-04-01

A computationally efficient hybrid finite-volume/finite-difference method is proposed for the numerical solution of Saint-Venant equations in one-dimensional open channel flows. The method adopts a mass-conservative finite volume discretization for the continuity equation and a semi-implicit finite difference discretization for the dynamic-wave momentum equation. The spatial discretization of the convective flux term in the momentum equation employs an upwind scheme and the water-surface gradient term is discretized using three different schemes. The performance of the numerical method is investigated in terms of efficiency and accuracy using various examples, including steady flow over a bump, dam-break flow over wet and dry downstream channels, wetting and drying in a parabolic bowl, and dam-break floods in laboratory physical models. Numerical solutions from the hybrid method are compared with solutions from a finite volume method along with analytic solutions or experimental measurements. Comparisons demonstrates that the hybrid method is efficient, accurate, and robust in modeling various flow scenarios, including subcritical, supercritical, and transcritical flows. In this method, the QUICK scheme for the surface slope discretization is more accurate and less diffusive than the center difference and the weighted average schemes.

Plane stress problems using hysteretic rigid body spring network models

NASA Astrophysics Data System (ADS)

Christos, Sofianos D.; Vlasis, Koumousis K.

2017-10-01

In this work, a discrete numerical scheme is presented capable of modeling the hysteretic behavior of 2D structures. Rigid Body Spring Network (RBSN) models that were first proposed by Kawai (Nucl Eng Des 48(1):29-207, 1978) are extended to account for hysteretic elastoplastic behavior. Discretization is based on Voronoi tessellation, as proposed specifically for RBSN models to ensure uniformity. As a result, the structure is discretized into convex polygons that form the discrete rigid bodies of the model. These are connected with three zero length, i.e., single-node springs in the middle of their common facets. The springs follow the smooth hysteretic Bouc-Wen model which efficiently incorporates classical plasticity with no direct reference to a yield surface. Numerical results for both static and dynamic loadings are presented, which validate the proposed simplified spring-mass formulation. In addition, they verify the model's applicability on determining primarily the displacement field and plastic zones compared to the standard elastoplastic finite element method.

Electromagnetic Surveying in the Mangrove Lakes Region of Everglades National Park

NASA Astrophysics Data System (ADS)

Whitman, D.; Price, R.; Frankovich, T.; Fourqurean, J.

2015-12-01

The Mangrove Lakes are an interconnected set of shallow (~ 1m), brackish lake and creek systems on the southern margin of the Everglades adjacent to Florida Bay. Current efforts associated with the Comprehensive Everglades Restoration Plan (CERP) aim to increase freshwater flow into this region. This study describes preliminary results of geophysical surveys in the lakes conducted to assess changes in the groundwater chemistry as part of a larger hydrologic and geochemical study in the Everglades Lakes region. Marine geophysical profiles were conducted in Alligator Creek (West Lake) and McCormick Creek systems in May, 2014. Data included marine electromagnetic (EM) profiles and soundings, water depth measurements, surface water conductivity and salinity measurements. A GSSI Profiler EMP-400 multi-frequency EM conductivity meter continuously recorded in-phase and quadrature field components at 1, 8, and 15 KHz. The system was deployed in a flat bottomed plastic kayak towed behind a motorized skiff. Lake water depths were continuously measured with a sounder/chart plotter which was calibrated with periodic sounding rod measurements. At periodic intervals during the survey, the profiling was stopped and surface water conductivity, temperature and salinity are recorded with a portable YSI probe on the tow boat. Over 40,000 discrete 3-frequency EM measurements were collected. The data were inverted to 2-layer models representing the water layer thickness and conductivity and the lake bottom conductivity. At spot locations, models were constrained with water depth soundings and surface water conductivity measurements. At other locations along the profiles, the water depth and conductivity were allowed to be free, but the free models were generally consistent with the constrained models. Multilayer sub-bottom models were also explored but were found to be poorly constrained. In West Lake, sub-bottom conductivities decreased from 400 mS/m in the west to 200 mS/m in the east indicating a general W to E decrease in groundwater salinity. In the McCormick Creek system, sub-bottom conductivities increased from 200 mS/m at the north end of Seven Palm Lake to over 650 mS/m at the southern end of Monroe Lake indicating a general N to S increase in ground water salinity. Additional profiles are planned in August, 2015.

SToRM: A numerical model for environmental surface flows

USGS Publications Warehouse

Simoes, Francisco J.

2009-01-01

SToRM (System for Transport and River Modeling) is a numerical model developed to simulate free surface flows in complex environmental domains. It is based on the depth-averaged St. Venant equations, which are discretized using unstructured upwind finite volume methods, and contains both steady and unsteady solution techniques. This article provides a brief description of the numerical approach selected to discretize the governing equations in space and time, including important aspects of solving natural environmental flows, such as the wetting and drying algorithm. The presentation is illustrated with several application examples, covering both laboratory and natural river flow cases, which show the model’s ability to solve complex flow phenomena.

Modeling salt-mediated electrostatics of macromolecules: the discrete surface charge optimization algorithm and its application to the nucleosome.

PubMed

Beard, D A; Schlick, T

2001-01-01

Much progress has been achieved on quantitative assessment of electrostatic interactions on the all-atom level by molecular mechanics and dynamics, as well as on the macroscopic level by models of continuum solvation. Bridging of the two representations-an area of active research-is necessary for studying integrated functions of large systems of biological importance. Following perspectives of both discrete (N-body) interaction and continuum solvation, we present a new algorithm, DiSCO (Discrete Surface Charge Optimization), for economically describing the electrostatic field predicted by Poisson-Boltzmann theory using a discrete set of Debye-Hückel charges distributed on a virtual surface enclosing the macromolecule. The procedure in DiSCO relies on the linear behavior of the Poisson-Boltzmann equation in the far zone; thus contributions from a number of molecules may be superimposed, and the electrostatic potential, or equivalently the electrostatic field, may be quickly and efficiently approximated by the summation of contributions from the set of charges. The desired accuracy of this approximation is achieved by minimizing the difference between the Poisson-Boltzmann electrostatic field and that produced by the linearized Debye-Hückel approximation using our truncated Newton optimization package. DiSCO is applied here to describe the salt-dependent electrostatic environment of the nucleosome core particle in terms of several hundred surface charges. This representation forms the basis for modeling-by dynamic simulations (or Monte Carlo)-the folding of chromatin. DiSCO can be applied more generally to many macromolecular systems whose size and complexity warrant a model resolution between the all-atom and macroscopic levels. Copyright 2000 John Wiley & Sons, Inc.

Integral group actions on symmetric spaces and discrete duality symmetries of supergravity theories

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

Carbone, Lisa; Murray, Scott H.; Sati, Hisham

For G = G(ℝ), a split, simply connected, semisimple Lie group of rank n and K the maximal compact subgroup of G, we give a method for computing Iwasawa coordinates of K∖G using the Chevalley generators and the Steinberg presentation. When K∖G is a scalar coset for a supergravity theory in dimensions ≥3, we determine the action of the integral form G(ℤ) on K∖G. We give explicit results for the action of the discrete U-duality groups SL{sub 2}(ℤ) and E{sub 7}(ℤ) on the scalar cosets SO(2)∖SL{sub 2}(ℝ) and [SU(8)/( ± Id)]∖E{sub 7(+7)}(ℝ) for type IIB supergravity in ten dimensions andmore » 11-dimensional supergravity reduced to D = 4 dimensions, respectively. For the former, we use this to determine the discrete U-duality transformations on the scalar sector in the Borel gauge and we describe the discrete symmetries of the dyonic charge lattice. We determine the spectrum-generating symmetry group for fundamental BPS solitons of type IIB supergravity in D = 10 dimensions at the classical level and we propose an analog of this symmetry at the quantum level. We indicate how our methods can be used to study the orbits of discrete U-duality groups in general.« less

Discrete-time infinity control problem with measurement feedback

NASA Technical Reports Server (NTRS)

Stoorvogel, A. A.; Saberi, A.; Chen, B. M.

1992-01-01

The paper is concerned with the discrete-time H(sub infinity) control problem with measurement feedback. The authors extend previous results by having weaker assumptions on the system parameters. The authors also show explicitly the structure of H(sub infinity) controllers. Finally, they show that it is in certain cases possible, without loss of performance, to reduce the dynamical order of the controllers.

SPARC: MASS MODELS FOR 175 DISK GALAXIES WITH SPITZER PHOTOMETRY AND ACCURATE ROTATION CURVES

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

Lelli, Federico; McGaugh, Stacy S.; Schombert, James M., E-mail: federico.lelli@case.edu

2016-12-01

We introduce SPARC ( Spitzer Photometry and Accurate Rotation Curves): a sample of 175 nearby galaxies with new surface photometry at 3.6  μ m and high-quality rotation curves from previous H i/H α studies. SPARC spans a broad range of morphologies (S0 to Irr), luminosities (∼5 dex), and surface brightnesses (∼4 dex). We derive [3.6] surface photometry and study structural relations of stellar and gas disks. We find that both the stellar mass–H i mass relation and the stellar radius–H i radius relation have significant intrinsic scatter, while the H i   mass–radius relation is extremely tight. We build detailedmore » mass models and quantify the ratio of baryonic to observed velocity ( V {sub bar}/ V {sub obs}) for different characteristic radii and values of the stellar mass-to-light ratio (ϒ{sub ⋆}) at [3.6]. Assuming ϒ{sub ⋆} ≃ 0.5 M {sub ⊙}/ L {sub ⊙} (as suggested by stellar population models), we find that (i) the gas fraction linearly correlates with total luminosity; (ii) the transition from star-dominated to gas-dominated galaxies roughly corresponds to the transition from spiral galaxies to dwarf irregulars, in line with density wave theory; and (iii)  V {sub bar}/ V {sub obs} varies with luminosity and surface brightness: high-mass, high-surface-brightness galaxies are nearly maximal, while low-mass, low-surface-brightness galaxies are submaximal. These basic properties are lost for low values of ϒ{sub ⋆} ≃ 0.2 M {sub ⊙}/ L {sub ⊙} as suggested by the DiskMass survey. The mean maximum-disk limit in bright galaxies is ϒ{sub ⋆} ≃ 0.7 M {sub ⊙}/ L {sub ⊙} at [3.6]. The SPARC data are publicly available and represent an ideal test bed for models of galaxy formation.« less

Discrete and continuous dynamics modeling of a mass moving on a flexible structure

NASA Technical Reports Server (NTRS)

Herman, Deborah Ann

1992-01-01

A general discrete methodology for modeling the dynamics of a mass that moves on the surface of a flexible structure is developed. This problem was motivated by the Space Station/Mobile Transporter system. A model reduction approach is developed to make the methodology applicable to large structural systems. To validate the discrete methodology, continuous formulations are also developed. Three different systems are examined: (1) simply-supported beam, (2) free-free beam, and (3) free-free beam with two points of contact between the mass and the flexible beam. In addition to validating the methodology, parametric studies were performed to examine how the system's physical properties affect its dynamics.

SmaggIce User Guide. 1.0

NASA Technical Reports Server (NTRS)

Baez, Marivell; Vickerman, Mary; Choo, Yung

2000-01-01

SmaggIce (Surface Modeling And Grid Generation for Iced Airfoils) is one of NASNs aircraft icing research codes developed at the Glenn Research Center. It is a software toolkit used in the process of aerodynamic performance prediction of iced airfoils. It includes tools which complement the 2D grid-based Computational Fluid Dynamics (CFD) process: geometry probing; surface preparation for gridding: smoothing and re-discretization of geometry. Future releases will also include support for all aspects of gridding: domain decomposition; perimeter discretization; grid generation and modification.

A VLSI pipeline design of a fast prime factor DFT on a finite field

NASA Technical Reports Server (NTRS)

Truong, T. K.; Hsu, I. S.; Shao, H. M.; Reed, I. S.; Shyu, H. C.

1986-01-01

A conventional prime factor discrete Fourier transform (DFT) algorithm is used to realize a discrete Fourier-like transform on the finite field, GF(q sub n). A pipeline structure is used to implement this prime factor DFT over GF(q sub n). This algorithm is developed to compute cyclic convolutions of complex numbers and to decode Reed-Solomon codes. Such a pipeline fast prime factor DFT algorithm over GF(q sub n) is regular, simple, expandable, and naturally suitable for VLSI implementation. An example illustrating the pipeline aspect of a 30-point transform over GF(q sub n) is presented.

Impact of the rail-pad multi-discrete model upon the prediction of the rail response

NASA Astrophysics Data System (ADS)

Mazilu, T.; Leu, M.

2017-08-01

Wheel/rail vibration has many technical effects such as wear of the rolling surfaces, rolling noise, settlement of the ballast and subgrade etc. This vibration is depending on the rail pad characteristic and subsequently, it is important to have an accurate overview on the relation between the rail pad characteristic and the level of the wheel/rail vibration. To this end, much theoretical and experimental research has been developed in the past, and for the theoretical approach the track model, in general, and, particularly, the rail pad model is of crucial importance. Usually, the rail pad model is discrete model one, neglecting the length of the rail pad. This fact is questionable because the sleepers span is only 4 times the rail pad length. Using the rail pad discrete model, the rail response is overestimated when the frequency of the excitation equals the pinned-pinned resonance frequency. In this paper, a multi-discrete model for the rail pad, consisting in many Kelvin-Voigt parallel systems, is inserted into an analytical model of the track. The track model is reduced to a rail taken as infinite Timoshenko beam, discretely supported via rail pad, sleeper and ballast. The influence of the number of Kelvin-Voigt systems of the rail pad model on the rail response is analysed.

The origins of intra- and inter-molecular vibrational couplings: A case study of H{sub 2}O-Ar on full and reduced-dimensional potential energy surface

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

Hou, Dan; Ma, Yong-Tao; Zhang, Xiao-Long

2016-01-07

The origin and strength of intra- and inter-molecular vibrational coupling is difficult to probe by direct experimental observations. However, explicitly including or not including some specific intramolecular vibrational modes to study intermolecular interaction provides a precise theoretical way to examine the effects of anharmonic coupling between modes. In this work, a full-dimension intra- and inter-molecular ab initio potential energy surface (PES) for H{sub 2}O–Ar, which explicitly incorporates interdependence on the intramolecular (Q{sub 1},  Q{sub 2},  Q{sub 3}) normal-mode coordinates of the H{sub 2}O monomer, has been calculated. In addition, four analytic vibrational-quantum-state-specific PESs are obtained by least-squares fitting vibrationally averagedmore » interaction energies for the (v{sub 1},  v{sub 2},  v{sub 3}) =  (0,  0,  0), (0,  0,  1), (1,  0,  0), (0,  1,  0) states of H{sub 2}O to the three-dimensional Morse/long-range potential function. Each vibrationally averaged PES fitted to 442 points has root-mean-square (rms) deviation smaller than 0.15 cm{sup −1}, and required only 58 parameters. With the 3D PESs of H{sub 2}O–Ar dimer system, we employed the combined radial discrete variable representation/angular finite basis representation method and Lanczos algorithm to calculate rovibrational energy levels. This showed that the resulting vibrationally averaged PESs provide good representations of the experimental infrared data, with rms discrepancies smaller than 0.02 cm{sup −1} for all three rotational branches of the asymmetric stretch fundamental transitions. The infrared band origin shifts associated with three fundamental bands of H{sub 2}O in H{sub 2}O–Ar complex are predicted for the first time and are found to be in good agreement with the (extrapolated) experimental values. Upon introduction of additional intramolecular degrees of freedom into the intermolecular potential energy surface, there is clear spectroscopic evidence of intra- and intermolecular vibrational couplings.« less

A pipeline design of a fast prime factor DFT on a finite field

NASA Technical Reports Server (NTRS)

Truong, T. K.; Hsu, In-Shek; Shao, H. M.; Reed, Irving S.; Shyu, Hsuen-Chyun

1988-01-01

A conventional prime factor discrete Fourier transform (DFT) algorithm is used to realize a discrete Fourier-like transform on the finite field, GF(q sub n). This algorithm is developed to compute cyclic convolutions of complex numbers and to decode Reed-Solomon codes. Such a pipeline fast prime factor DFT algorithm over GF(q sub n) is regular, simple, expandable, and naturally suitable for VLSI implementation. An example illustrating the pipeline aspect of a 30-point transform over GF(q sub n) is presented.

Boundary-layer receptivity due to distributed surface imperfections of a deterministic or random nature

NASA Technical Reports Server (NTRS)

Choudhari, Meelan

1992-01-01

Acoustic receptivity of a Blasius boundary layer in the presence of distributed surface irregularities is investigated analytically. It is shown that, out of the entire spatial spectrum of the surface irregularities, only a small band of Fourier components can lead to an efficient conversion of the acoustic input at any given frequency to an unstable eigenmode of the boundary layer flow. The location, and width, of this most receptive band of wavenumbers corresponds to a relative detuning of O(R sub l.b.(exp -3/8)) with respect to the lower-neutral instability wavenumber at the frequency under consideration, R sub l.b. being the Reynolds number based on a typical boundary-layer thickness at the lower branch of the neutral stability curve. Surface imperfections in the form of discrete mode waviness in this range of wavenumbers lead to initial instability amplitudes which are O(R sub l.b.(exp 3/8)) larger than those caused by a single, isolated roughness element. In contrast, irregularities with a continuous spatial spectrum produce much smaller instability amplitudes, even compared to the isolated case, since the increase due to the resonant nature of the response is more than that compensated for by the asymptotically small band-width of the receptivity process. Analytical expressions for the maximum possible instability amplitudes, as well as their expectation for an ensemble of statistically irregular surfaces with random phase distributions, are also presented.

Fabrication of microtemplates for the control of bacterial immobilization

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

Miyahara, Yasuhiro; Mitamura, Koji; Saito, Nagahiro

2009-09-15

The authors described a region-selective immobilization methods of bacteria by using superhydrophobic/superhydrophilic and superhydrophobic/poly(ethylene glycol) (PEG) micropatterns for culture scaffold templates. In the case of superhydrophobic/superhydrophilic micropatterns, the superhydrophobic surface was prepared first by microwave-plasma enhanced chemical vapor deposition (MPECVD) from trimethylmethoxysilane. Then the superhydrophilic regions were fabricated by irradiating the superhydrophobic surface with vuv light through a stencil mask. In the case of the superhydrophobic/PEG micropatterned surfaces, PEG surfaces were fabricated first by chemical reaction of ester groups of p-nitrophenyl PEG with NH{sub 2} group of NH{sub 2}-terminated self assembled monolayer from n-6-hexyl-3-aminopropyltrimethoxysilane. The superhydrophobic regions were fabricated bymore » MPECVD thorough a stencil mask. In this study four bacteria were selected from viewpoint of peptidoglycan cell wall (E. coli versus B. subtilis), extracellular polysaccharide (E.coli versus P. stutzeri, P. aeruginosa), and growth rate (P. stutzeri versus P. aeruginosa). The former micropattern brought discrete adhesions of E. coli and B. subtilis specifically on the hydrophobic regions, Furthermore, using the superhydrophobic/PEG micropattern, adhesion of bacteria expanded for E. coli, B. subtilis, P. stutzeri, and P. aeruginosa. They observed a high bacterial adhesion onto superhydrophobic surfaces and the inhibitive effect of bacterial adhesion on PEG surfaces.« less

Composite solvers for linear saddle point problems arising from the incompressible Stokes equations with highly heterogeneous viscosity structure

NASA Astrophysics Data System (ADS)

Sanan, P.; Schnepp, S. M.; May, D.; Schenk, O.

2014-12-01

Geophysical applications require efficient forward models for non-linear Stokes flow on high resolution spatio-temporal domains. The bottleneck in applying the forward model is solving the linearized, discretized Stokes problem which takes the form of a large, indefinite (saddle point) linear system. Due to the heterogeniety of the effective viscosity in the elliptic operator, devising effective preconditioners for saddle point problems has proven challenging and highly problem-dependent. Nevertheless, at least three approaches show promise for preconditioning these difficult systems in an algorithmically scalable way using multigrid and/or domain decomposition techniques. The first is to work with a hierarchy of coarser or smaller saddle point problems. The second is to use the Schur complement method to decouple and sequentially solve for the pressure and velocity. The third is to use the Schur decomposition to devise preconditioners for the full operator. These involve sub-solves resembling inexact versions of the sequential solve. The choice of approach and sub-methods depends crucially on the motivating physics, the discretization, and available computational resources. Here we examine the performance trade-offs for preconditioning strategies applied to idealized models of mantle convection and lithospheric dynamics, characterized by large viscosity gradients. Due to the arbitrary topological structure of the viscosity field in geodynamical simulations, we utilize low order, inf-sup stable mixed finite element spatial discretizations which are suitable when sharp viscosity variations occur in element interiors. Particular attention is paid to possibilities within the decoupled and approximate Schur complement factorization-based monolithic approaches to leverage recently-developed flexible, communication-avoiding, and communication-hiding Krylov subspace methods in combination with `heavy' smoothers, which require solutions of large per-node sub-problems, well-suited to solution on hybrid computational clusters. To manage the combinatorial explosion of solver options (which include hybridizations of all the approaches mentioned above), we leverage the modularity of the PETSc library.

Review of literature on the finite-element solution of the equations of two-dimensional surface-water flow in the horizontal plane

USGS Publications Warehouse

Lee, Jonathan K.; Froehlich, David C.

1987-01-01

Published literature on the application of the finite-element method to solving the equations of two-dimensional surface-water flow in the horizontal plane is reviewed in this report. The finite-element method is ideally suited to modeling two-dimensional flow over complex topography with spatially variable resistance. A two-dimensional finite-element surface-water flow model with depth and vertically averaged velocity components as dependent variables allows the user great flexibility in defining geometric features such as the boundaries of a water body, channels, islands, dikes, and embankments. The following topics are reviewed in this report: alternative formulations of the equations of two-dimensional surface-water flow in the horizontal plane; basic concepts of the finite-element method; discretization of the flow domain and representation of the dependent flow variables; treatment of boundary conditions; discretization of the time domain; methods for modeling bottom, surface, and lateral stresses; approaches to solving systems of nonlinear equations; techniques for solving systems of linear equations; finite-element alternatives to Galerkin's method of weighted residuals; techniques of model validation; and preparation of model input data. References are listed in the final chapter.

DAYCENT AND ITS LAND SURFACE SUBMODEL: DESCRIPTION AND TESTING. (R824993)

EPA Science Inventory

Abstract

A land surface submodel was developed for the daily version of the CENTURY ecosystem model (DAYCENT). The goal of DAYCENT to simulate soil N₂O, NO_x, and CH₄ fluxes for terrestrial ecosystems determined the structure and ...

Actinic Flux Calculations: A Model Sensitivity Study

NASA Technical Reports Server (NTRS)

Krotkov, Nickolay A.; Flittner, D.; Ahmad, Z.; Herman, J. R.; Einaudi, Franco (Technical Monitor)

2000-01-01

calculate direct and diffuse surface irradiance and actinic flux (downwelling (2p) and total (4p)) for the reference model. Sensitivity analysis has shown that the accuracy of the radiative transfer flux calculations for a unit ETS (i.e. atmospheric transmittance) together with a numerical interpolation technique for the constituents' vertical profiles is better than 1% for SZA less than 70(sub o) and wavelengths longer than 310 nm. The differences increase for shorter wavelengths and larger SZA, due to the differences in pseudo-spherical correction techniques and vertical discretetization among the codes. Our sensitivity study includes variation of ozone cross-sections, ETS spectra and the effects of wavelength shifts between vacuum and air scales. We also investigate the effects of aerosols on the spectral flux components in the UV and visible spectral regions. The "aerosol correction factors" (ACFs) were calculated at discrete wavelengths and different SZAs for each flux component (direct, diffuse, reflected) and prescribed IPMMI aerosol parameters. Finally, the sensitivity study was extended to calculation of selected photolysis rates coefficients.

Laser Induced Aluminum Surface Breakdown Model

NASA Technical Reports Server (NTRS)

Chen, Yen-Sen; Liu, Jiwen; Zhang, Sijun; Wang, Ten-See (Technical Monitor)

2002-01-01

Laser powered propulsion systems involve complex fluid dynamics, thermodynamics and radiative transfer processes. Based on an unstructured grid, pressure-based computational aerothermodynamics; platform, several sub-models describing such underlying physics as laser ray tracing and focusing, thermal non-equilibrium, plasma radiation and air spark ignition have been developed. This proposed work shall extend the numerical platform and existing sub-models to include the aluminum wall surface Inverse Bremsstrahlung (IB) effect from which surface ablation and free-electron generation can be initiated without relying on the air spark ignition sub-model. The following tasks will be performed to accomplish the research objectives.

Exotic Higgs boson decay modes as a harbinger of S{sub 3} flavor symmetry

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

Bhattacharyya, Gautam; Leser, Philipp; Paes, Heinrich

2011-01-01

Discrete symmetries employed to explain flavor mixing and mass hierarchies can be associated with an enlarged scalar sector which might lead to exotic Higgs decay modes. In this paper, we explore such a possibility in a scenario with S{sub 3} flavor symmetry which requires three scalar SU(2) doublets. The spectrum is fixed by minimizing the scalar potential, and we observe that the symmetry of the model leads to tantalizing Higgs decay modes potentially observable at the CERN Large Hadron Collider.

Cross-scale modelling of transpiration from stomata via the leaf boundary layer.

PubMed

Defraeye, Thijs; Derome, Dominique; Verboven, Pieter; Carmeliet, Jan; Nicolai, Bart

2014-09-01

Leaf transpiration is a key parameter for understanding land surface-climate interactions, plant stress and plant structure–function relationships. Transpiration takes place at the microscale level, namely via stomata that are distributed discretely over the leaf surface with a very low surface coverage (approx. 0·2-5%). The present study aims to shed more light on the dependency of the leaf boundary-layer conductance (BLC) on stomatal surface coverage and air speed. An innovative three-dimensional cross-scale modelling approach was applied to investigate convective mass transport from leaves, using computational fluid dynamics. The gap between stomatal and leaf scale was bridged by including all these scales in the same computational model (10⁻⁵-10⁻¹ m), which implies explicitly modelling individual stomata. BLC was strongly dependent on stomatal surface coverage and air speed. Leaf BLC at low surface coverage ratios (CR), typical for stomata, was still relatively high, compared with BLC of a fully wet leaf (hypothetical CR of 100%). Nevertheless, these conventional BLCs (CR of 100%), as obtained from experiments or simulations on leaf models, were found to overpredict the convective exchange. In addition, small variations in stomatal CR were found to result in large variations in BLCs. Furthermore, stomata of a certain size exhibited a higher mass transfer rate at lower CRs. The proposed cross-scale modelling approach allows us to increase our understanding of transpiration at the sub-leaf level as well as the boundary-layer microclimate in a way currently not feasible experimentally. The influence of stomatal size, aperture and surface density, and also flow-field parameters can be studied using the model, and prospects for further improvement of the model are presented. An important conclusion of the study is that existing measures of conductances (e.g. from artificial leaves) can be significantly erroneous because they do not account for microscopic stomata, but instead assume a uniform distribution of evaporation such as found for a fully-wet leaf. The model output can be used to correct or upgrade existing BLCs or to feed into higher-scale models, for example within a multiscale framework.

Multiphoton dissociation and thermal unimolecular reactions induced by infrared lasers. [REAMPA code

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

Dai, H.L.

1981-04-01

Multiphoton dissociation (MPD) of ethyl chloride was studied using a tunable 3.3 ..mu..m laser to excite CH stretches. The absorbed energy increases almost linearly with fluence, while for 10 ..mu..m excitation there is substantial saturation. Much higher dissociation yields were observed for 3.3 ..mu..m excitation than for 10 ..mu..m excitation, reflecting bottlenecking in the discrete region of 10 ..mu..m excitation. The resonant nature of the excitation allows the rate equations description for transitions in the quasicontinuum and continuum to be extended to the discrete levels. Absorption cross sections are estimated from ordinary ir spectra. A set of cross sections whichmore » is constant or slowly decreasing with increasing vibrational excitation gives good fits to both absorption and dissociation yield data. The rate equations model was also used to quantitatively calculate the pressure dependence of the MPD yield of SF/sub 6/ caused by vibrational self-quenching. Between 1000-3000 cm/sup -1/ of energy is removed from SF/sub 6/ excited to approx. > 60 kcal/mole by collision with a cold SF/sub 6/ molecule at gas kinetic rate. Calculation showed the fluence dependence of dissociation varies strongly with the gas pressure. Infrared multiphoton excitation was applied to study thermal unimolecular reactions. With SiF/sub 4/ as absorbing gas for the CO/sub 2/ laser pulse, transient high temperature pulses were generated in a gas mixture. IR fluorescence from the medium reflected the decay of the temperature. The activation energy and the preexponential factor of the reactant dissociation were obtained from a phenomenological model calculation. Results are presented in detail. (WHK)« less

Modelling crystal plasticity by 3D dislocation dynamics and the finite element method: The Discrete-Continuous Model revisited

NASA Astrophysics Data System (ADS)

Vattré, A.; Devincre, B.; Feyel, F.; Gatti, R.; Groh, S.; Jamond, O.; Roos, A.

2014-02-01

A unified model coupling 3D dislocation dynamics (DD) simulations with the finite element (FE) method is revisited. The so-called Discrete-Continuous Model (DCM) aims to predict plastic flow at the (sub-)micron length scale of materials with complex boundary conditions. The evolution of the dislocation microstructure and the short-range dislocation-dislocation interactions are calculated with a DD code. The long-range mechanical fields due to the dislocations are calculated by a FE code, taking into account the boundary conditions. The coupling procedure is based on eigenstrain theory, and the precise manner in which the plastic slip, i.e. the dislocation glide as calculated by the DD code, is transferred to the integration points of the FE mesh is described in full detail. Several test cases are presented, and the DCM is applied to plastic flow in a single-crystal Nickel-based superalloy.

Universal Behavior of a Cyclic Oxidation Model

NASA Technical Reports Server (NTRS)

Smialek, James L.

2003-01-01

A mathematical model has been generated to represent the iterative, discrete growth and spallation processes associated with cyclic oxidation. Parabolic growth kinetics (k(sub p)) over and a constant spall area (F(sub A)) were assumed, with spalling occurring interfacially at the thickest regions of the scale. Although most models require numerical techniques, the regularity and simplicity of this progression permitted an approximation by algebraic expressions. Normalization could now be performed to reflect all parametric effects, and a universal cyclic oxidation response was generated: W(sub u) = 1/2 {3J(sub u)(sup 1/2)+ J(sub u)(sup 3/2)} where W, is weight change normalized by the maximum and J(sub u) is the cycle number normalized by the number to reach maximum. Similarly, the total amount of metal consumed was represented by a single normalized curve. The factor [(S(sub c)-l)(raised dot)sqrt(F(sub A)k(sub p)DELTAt)] was identified as a general figure of merit, where S(sub c) is the mass ratio of oxide to oxygen and DELTAt is the cycle duration. A cyclic oxidation failure map was constructed, in normalized k(sub p)-F(sub A) space, as defined by the locus of points corresponding to a critical amount of metal consumption in a given time. All three constructions describe behavior for every value of growth rate, spall fraction, and cycle duration by means of single curves, but with two branches corresponding to the times before and after steady state is achieved.

Exploring new topography-based subgrid spatial structures for improving land surface modeling

DOE PAGES

Tesfa, Teklu K.; Leung, Lai-Yung Ruby

2017-02-22

Topography plays an important role in land surface processes through its influence on atmospheric forcing, soil and vegetation properties, and river network topology and drainage area. Land surface models with a spatial structure that captures spatial heterogeneity, which is directly affected by topography, may improve the representation of land surface processes. Previous studies found that land surface modeling, using subbasins instead of structured grids as computational units, improves the scalability of simulated runoff and streamflow processes. In this study, new land surface spatial structures are explored by further dividing subbasins into subgrid structures based on topographic properties, including surface elevation,more » slope and aspect. Two methods (local and global) of watershed discretization are applied to derive two types of subgrid structures (geo-located and non-geo-located) over the topographically diverse Columbia River basin in the northwestern United States. In the global method, a fixed elevation classification scheme is used to discretize subbasins. The local method utilizes concepts of hypsometric analysis to discretize each subbasin, using different elevation ranges that also naturally account for slope variations. The relative merits of the two methods and subgrid structures are investigated for their ability to capture topographic heterogeneity and the implications of this on representations of atmospheric forcing and land cover spatial patterns. Results showed that the local method reduces the standard deviation (SD) of subgrid surface elevation in the study domain by 17 to 19 % compared to the global method, highlighting the relative advantages of the local method for capturing subgrid topographic variations. The comparison between the two types of subgrid structures showed that the non-geo-located subgrid structures are more consistent across different area threshold values than the geo-located subgrid structures. Altogether the local method and non-geo-located subgrid structures effectively and robustly capture topographic, climatic and vegetation variability, which is important for land surface modeling.« less

Exploring new topography-based subgrid spatial structures for improving land surface modeling

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

Tesfa, Teklu K.; Leung, Lai-Yung Ruby

Topography plays an important role in land surface processes through its influence on atmospheric forcing, soil and vegetation properties, and river network topology and drainage area. Land surface models with a spatial structure that captures spatial heterogeneity, which is directly affected by topography, may improve the representation of land surface processes. Previous studies found that land surface modeling, using subbasins instead of structured grids as computational units, improves the scalability of simulated runoff and streamflow processes. In this study, new land surface spatial structures are explored by further dividing subbasins into subgrid structures based on topographic properties, including surface elevation,more » slope and aspect. Two methods (local and global) of watershed discretization are applied to derive two types of subgrid structures (geo-located and non-geo-located) over the topographically diverse Columbia River basin in the northwestern United States. In the global method, a fixed elevation classification scheme is used to discretize subbasins. The local method utilizes concepts of hypsometric analysis to discretize each subbasin, using different elevation ranges that also naturally account for slope variations. The relative merits of the two methods and subgrid structures are investigated for their ability to capture topographic heterogeneity and the implications of this on representations of atmospheric forcing and land cover spatial patterns. Results showed that the local method reduces the standard deviation (SD) of subgrid surface elevation in the study domain by 17 to 19 % compared to the global method, highlighting the relative advantages of the local method for capturing subgrid topographic variations. The comparison between the two types of subgrid structures showed that the non-geo-located subgrid structures are more consistent across different area threshold values than the geo-located subgrid structures. Altogether the local method and non-geo-located subgrid structures effectively and robustly capture topographic, climatic and vegetation variability, which is important for land surface modeling.« less

Numerical method for computing Maass cusp forms on triply punctured two-sphere

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

Chan, K. T.; Kamari, H. M.; Zainuddin, H.

2014-03-05

A quantum mechanical system on a punctured surface modeled on hyperbolic space has always been an important subject of research in mathematics and physics. This corresponding quantum system is governed by the Schrödinger equation whose solutions are the Maass waveforms. Spectral studies on these Maass waveforms are known to contain both continuous and discrete eigenvalues. The discrete eigenfunctions are usually called the Maass Cusp Forms (MCF) where their discrete eigenvalues are not known analytically. We introduce a numerical method based on Hejhal and Then algorithm using GridMathematica for computing MCF on a punctured surface with three cusps namely the triplymore » punctured two-sphere. We also report on a pullback algorithm for the punctured surface and a point locater algorithm to facilitate the complete pullback which are essential parts of the main algorithm.« less

Niobrara Discrete Fracture Network: From Outcrop Surveys to Subsurface Reservoir Models

NASA Astrophysics Data System (ADS)

Grechishnikova, Alena

Heterogeneity of an unconventional reservoir is one of the main factors affecting production. Well performance depends on the size and efficiency of the interconnected fracture "plumbing system", as influenced by multistage hydraulic fracturing. A complex, interconnected natural fracture network can significantly increase the size of stimulated reservoir volume, provide additional surface area contact and enhance permeability. In 2013 the Reservoir Characterization Project (RCP) at the Colorado School of Mines began Phase XV to study Niobrara shale reservoir management. Anadarko Petroleum Corporation and RCP jointly acquired time-lapse multicomponent seismic data in Wattenberg Field, Denver Basin. Anadarko also provided RCP with a regional 3D seismic survey and a rich well dataset. The purpose of this study is to characterize the natural fracture patterns occurring in the unconventional Niobrara reservoir and to determine the drivers that influenced fracture trends and distributions. The findings are integrated into a reservoir model though DFN (Discrete Fracture Network) for further prediction of reservoir performance using reservoir simulations. Aiming to better understand the complexity of the natural fracture system I began my fracture analysis work at an active mine site that provides a Niobrara exposure. Access to a "fresh" outcrop surface created a perfect natural laboratory. Ground-based LIDAR and photogrammetry facilitated construction of a geological model and a DFN model for the mine site. The work was carried into subsurface where the information gained served to improve reservoir characterization at a sub-seismic scale and can be used in well planning. I then embarked on a challenging yet essential task of outcrop-to-subsurface data calibration and application to RCP's Wattenberg Field study site. In this research the surface data was proven to be valid for comparative use in the subsurface. The subsurface fracture information was derived from image logs run within the horizontal wellbores and augmented with microseismic data. Limitations of these datasets included the potential to induce biased interpretations; but the data collected during the outcrop study aided in removing the bias. All four fracture sets observed at the quarry were also interpreted in the subsurface; however there was a limitation on statistical validity for one of the four sets due to a low frequency of observed occurrence potentially caused by wellbore orientation. Microseismic data was used for identification of one of the reactivated natural fracture sets. An interesting phenomenon observed in the microseismic data trends was the low frequency of event occurrence within dense populations of open natural fracture swarms suggesting that zones of higher natural fracture intensities are capable of absorbing and transmitting energy resulting in lower levels of microseismicity. Thus currently open natural fractures could be challenging to detect using microseismic. Through this study I identified a significant variability in fracture intensity at a localized scale due to lithological composition and structural features. The complex faulting styles observed at the outcrop were utilized as an analog and verified by horizontal well log data and seismic volume interpretations creating a high resolution structural model for the subsurface. A lithofacies model was developed based on the well log, core, and seismic inversion analysis. These models combined served to accurately distribute fracture intensity information within the geological model for further use in DFN. As a product of this study, a workflow was developed to aid in fracture network model creation allowing for more intelligent decisions to be made during well planning and completion optimization aiming to improve recovery. A high resolution integrated discrete fracture network model serves to advance dynamic reservoir characterization in the subsurface at a sub-seismic scale resulting in improved reservoir characterization.

Coupled NASTRAN/boundary element formulation for acoustic scattering

NASA Technical Reports Server (NTRS)

Everstine, Gordon C.; Henderson, Francis M.; Schuetz, Luise S.

1987-01-01

A coupled finite element/boundary element capability is described for calculating the sound pressure field scattered by an arbitrary submerged 3-D elastic structure. Structural and fluid impedances are calculated with no approximation other than discretization. The surface fluid pressures and normal velocities are first calculated by coupling a NASTRAN finite element model of the structure with a discretized form of the Helmholtz surface integral equation for the exterior field. Far field pressures are then evaluated from the surface solution using the Helmholtz exterior integral equation. The overall approach is illustrated and validated using a known analytic solution for scattering from submerged spherical shells.

On the geometry of a smooth model of a fibre product of families of K3 surfaces

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

Nikol'skaya, O V

The Hodge conjecture on algebraic cycles is proved for a smooth projective model X of a fibre product X{sub 1}×{sub C}X{sub 2} of nonisotrivial 1-parameter families of K3 surfaces (possibly with degeneracies) X{sub k}→C (k=1,2) over a smooth projective curve C under the assumption that, for generic geometric fibres X{sub 1s} and X{sub 2s}, the ring End{sub Hg(X{sub 1{sub s)}}}NS{sub Q}(X{sub 1s}){sup ⊥} is an imaginary quadratic field, rankNS(X{sub 1s})≠18, and End{sub Hg(X{sub 2{sub s)}}}NS{sub Q}(X{sub 2s}){sup ⊥} is a totally real field or else rankNS(X{sub 1s})

Oscillatory dynamics of an intravenous glucose tolerance test model with delay interval

NASA Astrophysics Data System (ADS)

Shi, Xiangyun; Kuang, Yang; Makroglou, Athena; Mokshagundam, Sriprakash; Li, Jiaxu

2017-11-01

Type 2 diabetes mellitus (T2DM) has become prevalent pandemic disease in view of the modern life style. Both diabetic population and health expenses grow rapidly according to American Diabetes Association. Detecting the potential onset of T2DM is an essential focal point in the research of diabetes mellitus. The intravenous glucose tolerance test (IVGTT) is an effective protocol to determine the insulin sensitivity, glucose effectiveness, and pancreatic β-cell functionality, through the analysis and parameter estimation of a proper differential equation model. Delay differential equations have been used to study the complex physiological phenomena including the glucose and insulin regulations. In this paper, we propose a novel approach to model the time delay in IVGTT modeling. This novel approach uses two parameters to simulate not only both discrete time delay and distributed time delay in the past interval, but also the time delay distributed in a past sub-interval. Normally, larger time delay, either a discrete or a distributed delay, will destabilize the system. However, we find that time delay over a sub-interval might not. We present analytically some basic model properties, which are desirable biologically and mathematically. We show that this relatively simple model provides good fit to fluctuating patient data sets and reveals some intriguing dynamics. Moreover, our numerical simulation results indicate that our model may remove the defect in well known Minimal Model, which often overestimates the glucose effectiveness index.

UCAV path planning in the presence of radar-guided surface-to-air missile threats

NASA Astrophysics Data System (ADS)

Zeitz, Frederick H., III

This dissertation addresses the problem of path planning for unmanned combat aerial vehicles (UCAVs) in the presence of radar-guided surface-to-air missiles (SAMs). The radars, collocated with SAM launch sites, operate within the structure of an Integrated Air Defense System (IADS) that permits communication and cooperation between individual radars. The problem is formulated in the framework of the interaction between three sub-systems: the aircraft, the IADS, and the missile. The main features of this integrated model are: The aircraft radar cross section (RCS) depends explicitly on both the aspect and bank angles; hence, the RCS and aircraft dynamics are coupled. The probabilistic nature of IADS tracking is accounted for; namely, the probability that the aircraft has been continuously tracked by the IADS depends on the aircraft RCS and range from the perspective of each radar within the IADS. Finally, the requirement to maintain tracking prior to missile launch and during missile flyout are also modeled. Based on this model, the problem of UCAV path planning is formulated as a minimax optimal control problem, with the aircraft bank angle serving as control. Necessary conditions of optimality for this minimax problem are derived. Based on these necessary conditions, properties of the optimal paths are derived. These properties are used to discretize the dynamic optimization problem into a finite-dimensional, nonlinear programming problem that can be solved numerically. Properties of the optimal paths are also used to initialize the numerical procedure. A homotopy method is proposed to solve the finite-dimensional, nonlinear programming problem, and a heuristic method is proposed to improve the discretization during the homotopy process. Based upon the properties of numerical solutions, a method is proposed for parameterizing and storing information for later recall in flight to permit rapid replanning in response to changing threats. Illustrative examples are presented that confirm the standard flying tactics of "denying range, aspect, and aim," by yielding flight paths that "weave" to avoid long exposures of aspects with large RCS.

Modeling effectiveness of management practices for flood mitigation using GIS spatial analysis functions in Upper Cilliwung watershed

NASA Astrophysics Data System (ADS)

Darma Tarigan, Suria

2016-01-01

Flooding is caused by excessive rainfall flowing downstream as cumulative surface runoff. Flooding event is a result of complex interaction of natural system components such as rainfall events, land use, soil, topography and channel characteristics. Modeling flooding event as a result of interaction of those components is a central theme in watershed management. The model is usually used to test performance of various management practices in flood mitigation. There are various types of management practices for flood mitigation including vegetative and structural management practices. Existing hydrological model such as SWAT and HEC-HMS models have limitation to accommodate discrete management practices such as infiltration well, small farm reservoir, silt pits in its analysis due to the lumped structure of these models. Aim of this research is to use raster spatial analysis functions of Geo-Information System (RGIS-HM) to model flooding event in Ciliwung watershed and to simulate impact of discrete management practices on surface runoff reduction. The model was validated using flooding data event of Ciliwung watershed on 29 January 2004. The hourly hydrograph data and rainfall data were available during period of model validation. The model validation provided good result with Nash-Suthcliff efficiency of 0.8. We also compared the RGIS-HM with Netlogo Hydrological Model (NL-HM). The RGIS-HM has similar capability with NL-HM in simulating discrete management practices in watershed scale.

A new epidemic modeling approach: Multi-regions discrete-time model with travel-blocking vicinity optimal control strategy.

PubMed

Zakary, Omar; Rachik, Mostafa; Elmouki, Ilias

2017-08-01

First, we devise in this paper, a multi-regions discrete-time model which describes the spatial-temporal spread of an epidemic which starts from one region and enters to regions which are connected with their neighbors by any kind of anthropological movement. We suppose homogeneous Susceptible-Infected-Removed (SIR) populations, and we consider in our simulations, a grid of colored cells, which represents the whole domain affected by the epidemic while each cell can represent a sub-domain or region. Second, in order to minimize the number of infected individuals in one region, we propose an optimal control approach based on a travel-blocking vicinity strategy which aims to control only one cell by restricting movements of infected people coming from all neighboring cells. Thus, we show the influence of the optimal control approach on the controlled cell. We should also note that the cellular modeling approach we propose here, can also describes infection dynamics of regions which are not necessarily attached one to an other, even if no empty space can be viewed between cells. The theoretical method we follow for the characterization of the travel-locking optimal controls, is based on a discrete version of Pontryagin's maximum principle while the numerical approach applied to the multi-points boundary value problems we obtain here, is based on discrete progressive-regressive iterative schemes. We illustrate our modeling and control approaches by giving an example of 100 regions.

Simple diffusion can support the pitchfork, the flip bifurcations, and the chaos

NASA Astrophysics Data System (ADS)

Meng, Lili; Li, Xinfu; Zhang, Guang

2017-12-01

In this paper, a discrete rational fration population model with the Dirichlet boundary conditions will be considered. According to the discrete maximum principle and the sub- and supper-solution method, the necessary and sufficient conditions of uniqueness and existence of positive steady state solutions will be obtained. In addition, the dynamical behavior of a special two patch metapopulation model is investigated by using the bifurcation method, the center manifold theory, the bifurcation diagrams and the largest Lyapunov exponent. The results show that there exist the pitchfork, the flip bifurcations, and the chaos. Clearly, these phenomena are caused by the simple diffusion. The theoretical analysis of chaos is very imortant, unfortunately, there is not any results in this hand. However, some open problems are given.

Cross-scale modelling of transpiration from stomata via the leaf boundary layer

PubMed Central

Defraeye, Thijs; Derome, Dominique; Verboven, Pieter; Carmeliet, Jan; Nicolai, Bart

2014-01-01

Background and Aims Leaf transpiration is a key parameter for understanding land surface–climate interactions, plant stress and plant structure–function relationships. Transpiration takes place at the microscale level, namely via stomata that are distributed discretely over the leaf surface with a very low surface coverage (approx. 0·2–5 %). The present study aims to shed more light on the dependency of the leaf boundary-layer conductance (BLC) on stomatal surface coverage and air speed. Methods An innovative three-dimensional cross-scale modelling approach was applied to investigate convective mass transport from leaves, using computational fluid dynamics. The gap between stomatal and leaf scale was bridged by including all these scales in the same computational model (10−5–10−1 m), which implies explicitly modelling individual stomata. Key Results BLC was strongly dependent on stomatal surface coverage and air speed. Leaf BLC at low surface coverage ratios (CR), typical for stomata, was still relatively high, compared with BLC of a fully wet leaf (hypothetical CR of 100 %). Nevertheless, these conventional BLCs (CR of 100 %), as obtained from experiments or simulations on leaf models, were found to overpredict the convective exchange. In addition, small variations in stomatal CR were found to result in large variations in BLCs. Furthermore, stomata of a certain size exhibited a higher mass transfer rate at lower CRs. Conclusions The proposed cross-scale modelling approach allows us to increase our understanding of transpiration at the sub-leaf level as well as the boundary-layer microclimate in a way currently not feasible experimentally. The influence of stomatal size, aperture and surface density, and also flow-field parameters can be studied using the model, and prospects for further improvement of the model are presented. An important conclusion of the study is that existing measures of conductances (e.g. from artificial leaves) can be significantly erroneous because they do not account for microscopic stomata, but instead assume a uniform distribution of evaporation such as found for a fully-wet leaf. The model output can be used to correct or upgrade existing BLCs or to feed into higher-scale models, for example within a multiscale framework. PMID:24510217

FIRST RESULTS FROM THE DRAGONFLY TELEPHOTO ARRAY: THE APPARENT LACK OF A STELLAR HALO IN THE MASSIVE SPIRAL GALAXY M101

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

Van Dokkum, Pieter G.; Merritt, Allison; Abraham, Roberto

2014-02-20

We use a new telescope concept, the Dragonfly Telephoto Array, to study the low surface brightness outskirts of the spiral galaxy M101. The radial surface brightness profile is measured down to μ {sub g} ∼ 32 mag arcsec{sup –2}, a depth that approaches the sensitivity of star count studies in the Local Group. We convert surface brightness to surface mass density using the radial g – r color profile. The mass density profile shows no significant upturn at large radius and is well-approximated by a simple bulge + disk model out to R = 70 kpc, corresponding to 18 diskmore » scale lengths. Fitting a bulge + disk + halo model we find that the best-fitting halo mass M{sub halo}=1.7{sub −1.7}{sup +3.4}×10{sup 8} M {sub ☉}. The total stellar mass of M101 is M{sub tot,∗}=5.3{sub −1.3}{sup +1.7}×10{sup 10} M {sub ☉}, and we infer that the halo mass fraction f{sub halo}=M{sub halo}/M{sub tot,∗}=0.003{sub −0.003}{sup +0.006}. This mass fraction is lower than that of the Milky Way (f {sub halo} ∼ 0.02) and M31 (f {sub halo} ∼ 0.04). All three galaxies fall below the f {sub halo}-M {sub tot,} {sub *} relation predicted by recent cosmological simulations that trace the light of disrupted satellites, with M101's halo mass a factor of ∼10 below the median expectation. However, the predicted scatter in this relation is large, and more galaxies are needed to better quantify this possible tension with galaxy formation models. Dragonfly is well suited for this project: as integrated-light surface brightness is independent of distance, large numbers of galaxies can be studied in a uniform way.« less

Numerical solution to the oblique derivative boundary value problem on non-uniform grids above the Earth topography

NASA Astrophysics Data System (ADS)

Medl'a, Matej; Mikula, Karol; Čunderlík, Róbert; Macák, Marek

2018-01-01

The paper presents a numerical solution of the oblique derivative boundary value problem on and above the Earth's topography using the finite volume method (FVM). It introduces a novel method for constructing non-uniform hexahedron 3D grids above the Earth's surface. It is based on an evolution of a surface, which approximates the Earth's topography, by mean curvature. To obtain optimal shapes of non-uniform 3D grid, the proposed evolution is accompanied by a tangential redistribution of grid nodes. Afterwards, the Laplace equation is discretized using FVM developed for such a non-uniform grid. The oblique derivative boundary condition is treated as a stationary advection equation, and we derive a new upwind type discretization suitable for non-uniform 3D grids. The discretization of the Laplace equation together with the discretization of the oblique derivative boundary condition leads to a linear system of equations. The solution of this system gives the disturbing potential in the whole computational domain including the Earth's surface. Numerical experiments aim to show properties and demonstrate efficiency of the developed FVM approach. The first experiments study an experimental order of convergence of the method. Then, a reconstruction of the harmonic function on the Earth's topography, which is generated from the EGM2008 or EIGEN-6C4 global geopotential model, is presented. The obtained FVM solutions show that refining of the computational grid leads to more precise results. The last experiment deals with local gravity field modelling in Slovakia using terrestrial gravity data. The GNSS-levelling test shows accuracy of the obtained local quasigeoid model.

Effect of surface fields on the dynamic resistance of planar HgCdTe mid-wavelength infrared photodiodes

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

He, Kai; Wang, Xi; Zhang, Peng

2015-05-28

This work investigates the effect of surface fields on the dynamic resistance of a planar HgCdTe mid-wavelength infrared photodiode from both theoretical and experimental aspects, considering a gated n-on-p diode with the surface potential of its p-region modulated. Theoretical models of the surface leakage current are developed, where the surface tunnelling current in the case of accumulation is expressed by modifying the formulation of bulk tunnelling currents, and the surface channel current for strong inversion is simulated with a transmission line method. Experimental data from the fabricated devices show a flat-band voltage of V{sub FB}=−5.7 V by capacitance-voltage measurement, and thenmore » the physical parameters for bulk properties are determined from the resistance-voltage characteristics of the diode working at a flat-band gate voltage. With proper values of the modeling parameters such as surface trap density and channel electron mobility, the theoretical R{sub 0}A product and corresponding dark current calculated from the proposed model as functions of the gate voltage V{sub g} demonstrate good consistency with the measured values. The R{sub 0}A product remarkably degenerates when V{sub g} is far below or above V{sub FB} because of the surface tunnelling current or channel current, respectively; and it attains the maximum value of 5.7×10{sup 7} Ω · cm{sup 2} around the transition between surface depletion and weak inversion when V{sub g}≈−4 V, which might result from reduced generation-recombination current.« less

Modelling the effects of Prairie wetlands on streamflow

NASA Astrophysics Data System (ADS)

Shook, K.; Pomeroy, J. W.

2015-12-01

Recent research has demonstrated that the contributing areas of Prairie streams dominated by depressional (wetland) storage demonstrate hysteresis with respect to catchment water storage. As such contributing fractions can vary over time from a very small percentage of catchment area to the entire catchment during floods. However, catchments display complex memories of past storage states and their contributing fractions cannot be modelled accurately by any single-valued function. The Cold Regions Hydrological Modelling platform, CRHM, which is capable of modelling all of the hydrological processes of cold regions using a hydrological response unit discretization of the catchment, was used to further investigate dynamical contributing area response to hydrological processes. Contributing fraction in CRHM is also controlled by the episodic nature of runoff generation in this cold, sub-humid environment where runoff is dominated by snowmelt over frozen soils, snowdrifts define the contributing fraction in late spring, unfrozen soils have high water holding capacity and baseflow from sub-surface flow does not exist. CRHM was improved by adding a conceptual model of individual Prairie depression fill and spill runoff generation that displays hysteresis in the storage - contributing fraction relationship and memory of storage state. The contributing area estimated by CRHM shows strong sensitivity to hydrological inputs, storage and the threshold runoff rate chosen. The response of the contributing area to inputs from various runoff generating processes from snowmelt to rain-on-snow to rainfall with differing degrees of spatial variation was investigated as was the importance of the memory of storage states on streamflow generation. The importance of selecting hydrologically and ecologically meaningful runoff thresholds in estimating contributing area is emphasized.

Extra-thermodynamic study on surface diffusion in reversed-phase liquid chromatography using silica gels bonded with alkyl ligands of different chain lengths

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

Miyabe, Kanji; Guiochon, Georges A

2005-06-01

Surface diffusion on adsorbents made of silica gels bonded to C{sub 1}, C{sub 4}, C{sub 8}, and C{sub 18} alkyl ligands was studied in reversed-phase liquid chromatography (RPLC) from the viewpoints of two extrathermodynamic relationships: enthalpy-entropy compensation (EEC) and linear free-energy relationship (LFER). First, the values of the surface diffusion coefficient (D{sub s}), normalized by the density of the alkyl ligands, were analyzed with the modified Arrhenius equation, following the four approaches proposed in earlier research. This showed that an actual EEC resulting from substantial physicochemical effects occurs for surface diffusion and suggested a mechanistic similarity of molecular migration bymore » surface diffusion, irrespective of the alkyl chain length. Second, a new model based on EEC was derived to explain the LFER between the logarithms of D{sub s} measured under different RPLC conditions. This showed that the changes of free energy, enthalpy, and entropy of surface diffusion are linearly correlated with the carbon number in the alkyl ligands of the bonded phases and that the contribution of the C{sub 18} ligand to the changes of the thermodynamic parameters corresponds to that of the C{sub 10} ligand. The new LFER model correlates the slope and intercept of the LFER to the compensation temperatures derived from the EEC analyses and to several parameters characterizing the molecular contributions to the changes in enthalpy and entropy. Finally, the new model was used to estimate D{sub s} under various RPLC conditions. The values of D{sub s} that were estimated from only two original experimental D{sub s} data were in agreement with corresponding experimental D{sub s} values, with relative errors of {approx}20%, irrespective of some RPLC conditions.« less

Adaptive multi-time-domain subcycling for crystal plasticity FE modeling of discrete twin evolution

NASA Astrophysics Data System (ADS)

Ghosh, Somnath; Cheng, Jiahao

2018-02-01

Crystal plasticity finite element (CPFE) models that accounts for discrete micro-twin nucleation-propagation have been recently developed for studying complex deformation behavior of hexagonal close-packed (HCP) materials (Cheng and Ghosh in Int J Plast 67:148-170, 2015, J Mech Phys Solids 99:512-538, 2016). A major difficulty with conducting high fidelity, image-based CPFE simulations of polycrystalline microstructures with explicit twin formation is the prohibitively high demands on computing time. High strain localization within fast propagating twin bands requires very fine simulation time steps and leads to enormous computational cost. To mitigate this shortcoming and improve the simulation efficiency, this paper proposes a multi-time-domain subcycling algorithm. It is based on adaptive partitioning of the evolving computational domain into twinned and untwinned domains. Based on the local deformation-rate, the algorithm accelerates simulations by adopting different time steps for each sub-domain. The sub-domains are coupled back after coarse time increments using a predictor-corrector algorithm at the interface. The subcycling-augmented CPFEM is validated with a comprehensive set of numerical tests. Significant speed-up is observed with this novel algorithm without any loss of accuracy that is advantageous for predicting twinning in polycrystalline microstructures.

Development of discrete gas kinetic scheme for simulation of 3D viscous incompressible and compressible flows

NASA Astrophysics Data System (ADS)

Yang, L. M.; Shu, C.; Wang, Y.; Sun, Y.

2016-08-01

The sphere function-based gas kinetic scheme (GKS), which was presented by Shu and his coworkers [23] for simulation of inviscid compressible flows, is extended to simulate 3D viscous incompressible and compressible flows in this work. Firstly, we use certain discrete points to represent the spherical surface in the phase velocity space. Then, integrals along the spherical surface for conservation forms of moments, which are needed to recover 3D Navier-Stokes equations, are approximated by integral quadrature. The basic requirement is that these conservation forms of moments can be exactly satisfied by weighted summation of distribution functions at discrete points. It was found that the integral quadrature by eight discrete points on the spherical surface, which forms the D3Q8 discrete velocity model, can exactly match the integral. In this way, the conservative variables and numerical fluxes can be computed by weighted summation of distribution functions at eight discrete points. That is, the application of complicated formulations resultant from integrals can be replaced by a simple solution process. Several numerical examples including laminar flat plate boundary layer, 3D lid-driven cavity flow, steady flow through a 90° bending square duct, transonic flow around DPW-W1 wing and supersonic flow around NACA0012 airfoil are chosen to validate the proposed scheme. Numerical results demonstrate that the present scheme can provide reasonable numerical results for 3D viscous flows.

Unity of quarks and leptons at the TeV scale

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

Foot, R.; Lew, H.

1990-08-01

The gauge group (SU(3)){sup 2}{direct product}(SU(2)){sup 2}{direct product}(U(1){sub {ital Y}{prime}}){sup 3} supplemented by quark-lepton, left-right, and generation discrete symmetries represents a new approach to the understanding of the particle content of the standard model. In particular, as a result of the large number of symmetries, the fermion sector of the model is very simple. After symmetry breaking, the standard model can be shown to emerge from this highly symmetric model at low energies.

Radiant heat exchange calculations in radiantly heated and cooled enclosures

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

Chapman, K.S.; Zhang, P.

1995-08-01

This paper presents the development of a three-dimensional mathematical model to compute the radiant heat exchange between surfaces separated by a transparent and/or opaque medium. The model formulation accommodates arbitrary arrangements of the interior surfaces, as well as arbitrary placement of obstacles within the enclosure. The discrete ordinates radiation model is applied and has the capability to analyze the effect of irregular geometries and diverse surface temperatures and radiative properties. The model is verified by comparing calculated heat transfer rates to heat transfer rates determined from the exact radiosity method for four different enclosures. The four enclosures were selected tomore » provide a wide range of verification. This three-dimensional model based on the discrete ordinates method can be applied to a building to assist the design engineer in sizing a radiant heating system. By coupling this model with a convective and conductive heat transfer model and a thermal comfort model, the comfort levels throughout the room can be easily and efficiently mapped for a given radiant heater location. In addition, objects such as airplanes, trucks, furniture, and partitions can be easily incorporated to determine their effect on the performance of the radiant heating system.« less

Gypsies in the palace: Experimentalist's view on the use of 3-D physics-based simulation of hillslope hydrological response

USGS Publications Warehouse

James, A.L.; McDonnell, Jeffery J.; Tromp-Van Meerveld, I.; Peters, N.E.

2010-01-01

As a fundamental unit of the landscape, hillslopes are studied for their retention and release of water and nutrients across a wide range of ecosystems. The understanding of these near-surface processes is relevant to issues of runoff generation, groundwater-surface water interactions, catchment export of nutrients, dissolved organic carbon, contaminants (e.g. mercury) and ultimately surface water health. We develop a 3-D physics-based representation of the Panola Mountain Research Watershed experimental hillslope using the TOUGH2 sub-surface flow and transport simulator. A recent investigation of sub-surface flow within this experimental hillslope has generated important knowledge of threshold rainfall-runoff response and its relation to patterns of transient water table development. This work has identified components of the 3-D sub-surface, such as bedrock topography, that contribute to changing connectivity in saturated zones and the generation of sub-surface stormflow. Here, we test the ability of a 3-D hillslope model (both calibrated and uncalibrated) to simulate forested hillslope rainfall-runoff response and internal transient sub-surface stormflow dynamics. We also provide a transparent illustration of physics-based model development, issues of parameterization, examples of model rejection and usefulness of data types (e.g. runoff, mean soil moisture and transient water table depth) to the model enterprise. Our simulations show the inability of an uncalibrated model based on laboratory and field characterization of soil properties and topography to successfully simulate the integrated hydrological response or the distributed water table within the soil profile. Although not an uncommon result, the failure of the field-based characterized model to represent system behaviour is an important challenge that continues to vex scientists at many scales. We focus our attention particularly on examining the influence of bedrock permeability, soil anisotropy and drainable porosity on the development of patterns of transient groundwater and sub-surface flow. Internal dynamics of transient water table development prove to be essential in determining appropriate model parameterization. ?? 2010 John Wiley & Sons, Ltd.

Study of the influence of the parameters of an experiment on the simulation of pole figures of polycrystalline materials using electron microscopy

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

Antonova, A. O., E-mail: aoantonova@mail.ru; Savyolova, T. I.

2016-05-15

A two-dimensional mathematical model of a polycrystalline sample and an experiment on electron backscattering diffraction (EBSD) is considered. The measurement parameters are taken to be the scanning step and threshold grain-boundary angle. Discrete pole figures for materials with hexagonal symmetry have been calculated based on the results of the model experiment. Discrete and smoothed (by the kernel method) pole figures of the model sample and the samples in the model experiment are compared using homogeneity criterion χ{sup 2}, an estimate of the pole figure maximum and its coordinate, a deviation of the pole figures of the model in the experimentmore » from the sample in the space of L{sub 1} measurable functions, and the RP-criterion for estimating the pole figure errors. Is is shown that the problem of calculating pole figures is ill-posed and their determination with respect to measurement parameters is not reliable.« less

Simulation of nucleation and growth of atomic layer deposition phosphorus for doping of advanced FinFETs

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

Seidel, Thomas E., E-mail: zoomtotom@gmail.com; Goldberg, Alexander; Halls, Mat D.

2016-01-15

Simulations for the nucleation and growth of phosphorus films were carried out using density functional theory. The surface was represented by a Si{sub 9}H{sub 12} truncated cluster surface model with 2 × 1-reconstructured (100) Si-OH terminations for the initial reaction sites. Chemistries included phosphorous halides (PF{sub 3}, PCl{sub 3}, and PBr{sub 3}) and disilane (Si{sub 2}H{sub 6}). Atomic layer deposition (ALD) reaction sequences were illustrated with three-dimensional molecular models using sequential PF{sub 3} and Si{sub 2}H{sub 6} reactions and featuring SiFH{sub 3} as a byproduct. Exothermic reaction pathways were developed for both nucleation and growth for a Si-OH surface. Energetically favorable reactionsmore » for the deposition of four phosphorus atoms including lateral P–P bonding were simulated. This paper suggests energetically favorable thermodynamic reactions for the growth of elemental phosphorus on (100) silicon. Phosphorus layers made by ALD are an option for doping advanced fin field-effect transistors (FinFETs). Phosphorus may be thermally diffused into the silicon or recoil knocked in; simulations of the recoil profile of phosphorus into a FinFET surface are illustrated.« less

Method of Implementing Digital Phase-Locked Loops

NASA Technical Reports Server (NTRS)

Stephens, Scott A. (Inventor); Thomas, J. Brooks (Inventor)

1997-01-01

In a new formulation for digital phase-locked loops, loop-filter constants are determined from loop roots that can each be selectively placed in the s-plane on the basis of a new set of parameters, each with simple and direct physical meaning in terms of loop noise bandwidth, root-specific decay rate, and root-specific damping. Loops of first to fourth order are treated in the continuous-update approximation (B(sub L)T approaches 0) and in a discrete-update formulation with arbitrary B(sub L)T. Deficiencies of the continuous-update approximation in large-B(sub L)T applications are avoided in the new discrete-update formulation.

MODELING THE ANOMALY OF SURFACE NUMBER DENSITIES OF GALAXIES ON THE GALACTIC EXTINCTION MAP DUE TO THEIR FIR EMISSION CONTAMINATION

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

Kashiwagi, Toshiya; Suto, Yasushi; Taruya, Atsushi

The most widely used Galactic extinction map is constructed assuming that the observed far-infrared (FIR) fluxes come entirely from Galactic dust. According to the earlier suggestion by Yahata et al., we consider how FIR emission of galaxies affects the SFD map. We first compute the surface number density of Sloan Digital Sky Survey (SDSS) DR7 galaxies as a function of the r-band extinction, A {sub r,} {sub SFD}. We confirm that the surface densities of those galaxies positively correlate with A {sub r,} {sub SFD} for A {sub r,} {sub SFD} < 0.1, as first discovered by Yahata et al.more » for SDSS DR4 galaxies. Next we construct an analytical model to compute the surface density of galaxies, taking into account the contamination of their FIR emission. We adopt a log-normal probability distribution for the ratio of 100 μm and r-band luminosities of each galaxy, y ≡ (νL){sub 100} {sub μm}/(νL) {sub r}. Then we search for the mean and rms values of y that fit the observed anomaly, using the analytical model. The required values to reproduce the anomaly are roughly consistent with those measured from the stacking analysis of SDSS galaxies. Due to the limitation of our statistical modeling, we are not yet able to remove the FIR contamination of galaxies from the extinction map. Nevertheless, the agreement with the model prediction suggests that the FIR emission of galaxies is mainly responsible for the observed anomaly. Whereas the corresponding systematic error in the Galactic extinction map is 0.1-1 mmag, it is directly correlated with galaxy clustering and thus needs to be carefully examined in precision cosmology.« less

Charge-Spot Model for Electrostatic Forces in Simulation of Fine Particulates

NASA Technical Reports Server (NTRS)

Walton, Otis R.; Johnson, Scott M.

2010-01-01

The charge-spot technique for modeling the static electric forces acting between charged fine particles entails treating electric charges on individual particles as small sets of discrete point charges, located near their surfaces. This is in contrast to existing models, which assume a single charge per particle. The charge-spot technique more accurately describes the forces, torques, and moments that act on triboelectrically charged particles, especially image-charge forces acting near conducting surfaces. The discrete element method (DEM) simulation uses a truncation range to limit the number of near-neighbor charge spots via a shifted and truncated potential Coulomb interaction. The model can be readily adapted to account for induced dipoles in uncharged particles (and thus dielectrophoretic forces) by allowing two charge spots of opposite signs to be created in response to an external electric field. To account for virtual overlap during contacts, the model can be set to automatically scale down the effective charge in proportion to the amount of virtual overlap of the charge spots. This can be accomplished by mimicking the behavior of two real overlapping spherical charge clouds, or with other approximate forms. The charge-spot method much more closely resembles real non-uniform surface charge distributions that result from tribocharging than simpler approaches, which just assign a single total charge to a particle. With the charge-spot model, a single particle may have a zero net charge, but still have both positive and negative charge spots, which could produce substantial forces on the particle when it is close to other charges, when it is in an external electric field, or when near a conducting surface. Since the charge-spot model can contain any number of charges per particle, can be used with only one or two charge spots per particle for simulating charging from solar wind bombardment, or with several charge spots for simulating triboelectric charging. Adhesive image-charge forces acting on charged particles touching conducting surfaces can be up to 50 times stronger if the charge is located in discrete spots on the particle surface instead of being distributed uniformly over the surface of the particle, as is assumed by most other models. Besides being useful in modeling particulates in space and distant objects, this modeling technique is useful for electrophotography (used in copiers) and in simulating the effects of static charge in the pulmonary delivery of fine dry powders.

Transient Numerical Modeling of Catalytic Channels

NASA Technical Reports Server (NTRS)

Struk, Peter M.; Dietrich, Daniel L.; Miller, Fletcher J.; T'ien, James S.

2007-01-01

This paper presents a transient model of catalytic combustion suitable for isolated channels and monolith reactors. The model is a lumped two-phase (gas and solid) model where the gas phase is quasi-steady relative to the transient solid. Axial diffusion is neglected in the gas phase; lateral diffusion, however, is accounted for using transfer coefficients. The solid phase includes axial heat conduction and external heat loss due to convection and radiation. The combustion process utilizes detailed gas and surface reaction models. The gas-phase model becomes a system of stiff ordinary differential equations while the solid phase reduces, after discretization, into a system of stiff ordinary differential-algebraic equations. The time evolution of the system came from alternating integrations of the quasi-steady gas and transient solid. This work outlines the numerical model and presents some sensitivity studies on important parameters including internal transfer coefficients, catalytic surface site density, and external heat-loss (if applicable). The model is compared to two experiments using CO fuel: (1) steady-state conversion through an isothermal platinum (Pt) tube and (2) transient propagation of a catalytic reaction inside a small Pt tube. The model requires internal mass-transfer resistance to match the experiments at lower residence times. Under mass-transport limited conditions, the model reasonably predicted exit conversion using global mass-transfer coefficients. Near light-off, the model results did not match the experiment precisely even after adjustment of mass-transfer coefficients. Agreement improved for the first case after adjusting the surface kinetics such that the net rate of CO adsorption increased compared to O2. The CO / O2 surface mechanism came from a sub-set of reactions in a popular CH4 / O2 mechanism. For the second case, predictions improved for lean conditions with increased external heat loss or adjustment of the kinetics as in the first case. Finally, the results show that different initial surface-species distribution leads to different steady-states under certain conditions. These results demonstrate the utility of a lumped two-phase model of a transient catalytic combustor with detailed chemistry.

Process for producing dispersed particulate composite materials

DOEpatents

Henager, Jr., Charles H.; Hirth, John P.

1995-01-01

This invention is directed to a process for forming noninterwoven dispersed particulate composite products. In one case a composite multi-layer film product comprises a substantially noninterwoven multi-layer film having a plurality of discrete layers. This noninterwoven film comprises at least one discrete layer of a first material and at least one discrete layer of a second material. In another case the first and second materials are blended together with each other. In either case, the first material comprises a metalloid and the second material a metal compound. At least one component of a first material in one discrete layer undergoes a solid state displacement reaction with at least one component of a second material thereby producing the requisite noninterwoven composite film product. Preferably, the first material comprises silicon, the second material comprises Mo.sub.2 C, the third material comprises SiC and the fourth material comprises MoSi.sub.2.

Maximum-entropy probability distributions under Lp-norm constraints

NASA Technical Reports Server (NTRS)

Dolinar, S.

1991-01-01

Continuous probability density functions and discrete probability mass functions are tabulated which maximize the differential entropy or absolute entropy, respectively, among all probability distributions with a given L sub p norm (i.e., a given pth absolute moment when p is a finite integer) and unconstrained or constrained value set. Expressions for the maximum entropy are evaluated as functions of the L sub p norm. The most interesting results are obtained and plotted for unconstrained (real valued) continuous random variables and for integer valued discrete random variables. The maximum entropy expressions are obtained in closed form for unconstrained continuous random variables, and in this case there is a simple straight line relationship between the maximum differential entropy and the logarithm of the L sub p norm. Corresponding expressions for arbitrary discrete and constrained continuous random variables are given parametrically; closed form expressions are available only for special cases. However, simpler alternative bounds on the maximum entropy of integer valued discrete random variables are obtained by applying the differential entropy results to continuous random variables which approximate the integer valued random variables in a natural manner. All the results are presented in an integrated framework that includes continuous and discrete random variables, constraints on the permissible value set, and all possible values of p. Understanding such as this is useful in evaluating the performance of data compression schemes.

Sub-pixel flood inundation mapping from multispectral remotely sensed images based on discrete particle swarm optimization

NASA Astrophysics Data System (ADS)

Li, Linyi; Chen, Yun; Yu, Xin; Liu, Rui; Huang, Chang

2015-03-01

The study of flood inundation is significant to human life and social economy. Remote sensing technology has provided an effective way to study the spatial and temporal characteristics of inundation. Remotely sensed images with high temporal resolutions are widely used in mapping inundation. However, mixed pixels do exist due to their relatively low spatial resolutions. One of the most popular approaches to resolve this issue is sub-pixel mapping. In this paper, a novel discrete particle swarm optimization (DPSO) based sub-pixel flood inundation mapping (DPSO-SFIM) method is proposed to achieve an improved accuracy in mapping inundation at a sub-pixel scale. The evaluation criterion for sub-pixel inundation mapping is formulated. The DPSO-SFIM algorithm is developed, including particle discrete encoding, fitness function designing and swarm search strategy. The accuracy of DPSO-SFIM in mapping inundation at a sub-pixel scale was evaluated using Landsat ETM + images from study areas in Australia and China. The results show that DPSO-SFIM consistently outperformed the four traditional SFIM methods in these study areas. A sensitivity analysis of DPSO-SFIM was also carried out to evaluate its performances. It is hoped that the results of this study will enhance the application of medium-low spatial resolution images in inundation detection and mapping, and thereby support the ecological and environmental studies of river basins.

Surface Modification of ICF Target Capsules by Pulsed Laser Ablation

DOE PAGES

Carlson, Lane C.; Johnson, Michael A.; Bunn, Thomas L.

2016-06-30

Topographical modifications of spherical surfaces are imprinted on National Ignition Facility (NIF) target capsules by extending the capabilities of a recently developed full surface (4π) laser ablation and mapping apparatus. The laser ablation method combines the precision, energy density and long reach of a focused laser beam to pre-impose sinusoidal modulations on the outside surface of High Density Carbon (HDC) capsules and the inside surface of Glow Discharge Polymer (GDP) capsules. Sinusoidal modulations described in this paper have sub-micron to 10’s of microns vertical scale and wavelengths as small as 30 μm and as large as 200 μm. The modulatedmore » patterns are created by rastering a focused laser fired at discrete capsule surface locations for a specified number of pulses. The computer program developed to create these raster patterns uses inputs such as laser beam intensity profile, the material removal function, the starting surface figure and the desired surface figure. The patterns are optimized to minimize surface roughness. Lastly, in this paper, simulated surfaces are compared with actual ablated surfaces measured using confocal microscopy.« less

Design and development of surface rainfall forecast products on GRAPES_MESO model

NASA Astrophysics Data System (ADS)

Zhili, Liu

2016-04-01

In this paper, we designed and developed the surface rainfall forecast products using medium scale GRAPES_MESO model precipitation forecast products. The horizontal resolution of GRAPES_MESO model is 10km*10km, the number of Grids points is 751*501, vertical levels is 26, the range is 70°E－145.15°E, 15°N－64.35 °N. We divided the basin into 7 major watersheds. Each watersheds was divided into a number of sub regions. There were 95 sub regions in all. Tyson polygon method is adopted in the calculation of surface rainfall. We used 24 hours forecast precipitation data of GRAPES_MESO model to calculate the surface rainfall. According to the site of information and boundary information of the 95 sub regions, the forecast surface rainfall of each sub regions was calculated. We can provide real-time surface rainfall forecast products every day. We used the method of fuzzy evaluation to carry out a preliminary test and verify about the surface rainfall forecast product. Results shows that the fuzzy score of heavy rain, rainstorm and downpour level forecast rainfall were higher, the fuzzy score of light rain level was lower. The forecast effect of heavy rain, rainstorm and downpour level surface rainfall were better. The rate of missing and empty forecast of light rainfall level surface rainfall were higher, so it's fuzzy score were lower.

The potential influence of multiple scattering on longwave flux and heating rate simulations with clouds

NASA Astrophysics Data System (ADS)

Kuo, C. P.; Yang, P.; Huang, X.; Feldman, D.; Flanner, M.; Kuo, C.; Mlawer, E. J.

2017-12-01

Clouds, which cover approximately 67% of the globe, serve as one of the major modulators in adjusting radiative energy on the Earth. Since rigorous radiative transfer computations including multiple scattering are costly, only absorption is considered in the longwave spectral bands in the radiation sub-models of the general circulation models (GCMs). Quantification of the effect of ignoring longwave scattering for flux and heating rate simulations is performed by using the GCM version of the Longwave Rapid Radiative Transfer Model (RRTMG_LW) with an implementation with the 16-stream Discrete Ordinates Radiative Transfer (DISORT) Program for a Multi-Layered Plane-Parallel Medium in conjunction with the 2010 CCCM products that merge satellite observations from the Cloud-Aerosol Lidar and Infrared Pathfinder Satellite Observation (CALIPSO), the CloudSat, the Clouds and the Earth's Radiant Energy System (CERES) and the Moderate Resolution Imaging Spectrometer (MODIS). One-year global simulations show that neglecting longwave scattering overestimates upward flux at the top of the atmosphere (TOA) and underestimates downward flux at the surface by approximately 2.63 and 1.15 W/m2, respectively. Furthermore, when longwave scattering is included in the simulations, the tropopause is cooled by approximately 0.018 K/day and the surface is heated by approximately 0.028 K/day. As a result, the radiative effects of ignoring longwave scattering and doubling CO2 are comparable in magnitude.

RECENT XPS STUDIES OF THE EFFECT OF PROCESSING ON NB SRF SURFACES

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

Hui Tian; Binping Xiao; Michael Kelley

XPS studies have consistently shown that Nb surfaces for SRF chiefly comprise of a few nm of Nb2O5 on top of Nb metal, with minor amounts of Nb sub-oxides. Nb samples after BCP/EP treatment with post-baking at the various conditions have been examined by using synchrotron based XPS. Despite the confounding influence of surface roughness, certain outcomes are clear. Lower-valence Nb species are always and only associated with the metal/oxide interface, but evidence for an explicit layer structure or discrete phases is lacking. Post-baking without air exposure shows decreased oxide layer thickness and increased contribution from lower valence species, butmore » spectra obtained after subsequent air exposure cannot be distinguished from those obtained prior to baking, though the SRF performance improvement remains.« less

Theoretical modeling and experimental observations of the atomic layer deposition of SrO using a cyclopentadienyl Sr precursor

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

Fredrickson, Kurt D.; Slepko, Alex; Demkov, Alexander A., E-mail: demkov@physics.utexas.edu

2016-08-14

First-principle calculations are used to model the adsorption and hydration of strontium bis(cyclopentadienyl) [Sr(Cp){sub 2}] on TiO{sub 2}-terminated strontium titanate, SrTiO{sub 3} (STO), for the deposition of strontium oxide, SrO, by atomic layer deposition (ALD). The Sr(Cp){sub 2} precursor is shown to adsorb on the TiO{sub 2}-terminated surface, with the Sr atom assuming essentially the bulk position in STO. The C–Sr bonds are weaker than in the free molecule, with a Ti atom at the surface bonding to one of the C atoms in the cyclopentadienyl rings. The surface does not need to be hydrogenated for precursor adsorption. The calculationsmore » are compared with experimental observations for a related Sr cyclopentadienyl precursor, strontium bis(triisopropylcyclopentadienyl) [Sr({sup i}Pr{sub 3}Cp){sub 2}], adsorbed on TiO{sub 2}-terminated STO. High-resolution x-ray photoelectron spectroscopy and low-energy ion scattering spectroscopy show adsorption of the Sr precursor on the TiO{sub 2}-terminated STO after a single precursor dose. This study suggests that ALD growth from the strontium precursors featuring cyclopentadienyl ligands, such as Sr(Cp){sub 2}, may initiate film growth on non-hydroxylated surfaces.« less

Geophysical Inversion with Adaptive Array Processing of Ambient Noise

NASA Astrophysics Data System (ADS)

Traer, James

2011-12-01

Land-based seismic observations of microseisms generated during Tropical Storms Ernesto and Florence are dominated by signals in the 0.15--0.5Hz band. Data from seafloor hydrophones in shallow water (70m depth, 130 km off the New Jersey coast) show dominant signals in the gravity-wave frequency band, 0.02--0.18Hz and low amplitudes from 0.18--0.3Hz, suggesting significant opposing wave components necessary for DF microseism generation were negligible at the site. Both storms produced similar spectra, despite differing sizes, suggesting near-coastal shallow water as the dominant region for observed microseism generation. A mathematical explanation for a sign-inversion induced to the passive fathometer response by minimum variance distortionless response (MVDR) beamforming is presented. This shows that, in the region containing the bottom reflection, the MVDR fathometer response is identical to that obtained with conventional processing multiplied by a negative factor. A model is presented for the complete passive fathometer response to ocean surface noise, interfering discrete noise sources, and locally uncorrelated noise in an ideal waveguide. The leading order term of the ocean surface noise produces the cross-correlation of vertical multipaths and yields the depth of sub-bottom reflectors. Discrete noise incident on the array via multipaths give multiple peaks in the fathometer response. These peaks may obscure the sub-bottom reflections but can be attenuated with use of Minimum Variance Distortionless Response (MVDR) steering vectors. A theory is presented for the Signal-to-Noise-Ratio (SNR) for the seabed reflection peak in the passive fathometer response as a function of seabed depth, seabed reflection coefficient, averaging time, bandwidth and spatial directivity of the noise field. The passive fathometer algorithm was applied to data from two drifting array experiments in the Mediterranean, Boundary 2003 and 2004, with 0.34s of averaging time. In the 2004 experiment, the response showed the array depth varied periodically with an amplitude of 1 m and a period of 7 s consistent with wave driven motion of the array. This introduced a destructive interference which prevents the SNR growing with averaging time, unless the motion is removed by use of a peak tracker.

Scaling law analysis of paraffin thin films on different surfaces

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

Dotto, M. E. R.; Camargo, S. S. Jr.

2010-01-15

The dynamics of paraffin deposit formation on different surfaces was analyzed based on scaling laws. Carbon-based films were deposited onto silicon (Si) and stainless steel substrates from methane (CH{sub 4}) gas using radio frequency plasma enhanced chemical vapor deposition. The different substrates were characterized with respect to their surface energy by contact angle measurements, surface roughness, and morphology. Paraffin thin films were obtained by the casting technique and were subsequently characterized by an atomic force microscope in noncontact mode. The results indicate that the morphology of paraffin deposits is strongly influenced by substrates used. Scaling laws analysis for coated substratesmore » present two distinct dynamics: a local roughness exponent ({alpha}{sub local}) associated to short-range surface correlations and a global roughness exponent ({alpha}{sub global}) associated to long-range surface correlations. The local dynamics is described by the Wolf-Villain model, and a global dynamics is described by the Kardar-Parisi-Zhang model. A local correlation length (L{sub local}) defines the transition between the local and global dynamics with L{sub local} approximately 700 nm in accordance with the spacing of planes measured from atomic force micrographs. For uncoated substrates, the growth dynamics is related to Edwards-Wilkinson model.« less

Cluster analysis of European Y-chromosomal STR haplotypes using the discrete Laplace method.

PubMed

Andersen, Mikkel Meyer; Eriksen, Poul Svante; Morling, Niels

2014-07-01

The European Y-chromosomal short tandem repeat (STR) haplotype distribution has previously been analysed in various ways. Here, we introduce a new way of analysing population substructure using a new method based on clustering within the discrete Laplace exponential family that models the probability distribution of the Y-STR haplotypes. Creating a consistent statistical model of the haplotypes enables us to perform a wide range of analyses. Previously, haplotype frequency estimation using the discrete Laplace method has been validated. In this paper we investigate how the discrete Laplace method can be used for cluster analysis to further validate the discrete Laplace method. A very important practical fact is that the calculations can be performed on a normal computer. We identified two sub-clusters of the Eastern and Western European Y-STR haplotypes similar to results of previous studies. We also compared pairwise distances (between geographically separated samples) with those obtained using the AMOVA method and found good agreement. Further analyses that are impossible with AMOVA were made using the discrete Laplace method: analysis of the homogeneity in two different ways and calculating marginal STR distributions. We found that the Y-STR haplotypes from e.g. Finland were relatively homogeneous as opposed to the relatively heterogeneous Y-STR haplotypes from e.g. Lublin, Eastern Poland and Berlin, Germany. We demonstrated that the observed distributions of alleles at each locus were similar to the expected ones. We also compared pairwise distances between geographically separated samples from Africa with those obtained using the AMOVA method and found good agreement. Copyright © 2014 Elsevier Ireland Ltd. All rights reserved.

Software Surface Modeling and Grid Generation Steering Committee

NASA Technical Reports Server (NTRS)

Smith, Robert E. (Editor)

1992-01-01

It is a NASA objective to promote improvements in the capability and efficiency of computational fluid dynamics. Grid generation, the creation of a discrete representation of the solution domain, is an essential part of computational fluid dynamics. However, grid generation about complex boundaries requires sophisticated surface-model descriptions of the boundaries. The surface modeling and the associated computation of surface grids consume an extremely large percentage of the total time required for volume grid generation. Efficient and user friendly software systems for surface modeling and grid generation are critical for computational fluid dynamics to reach its potential. The papers presented here represent the state-of-the-art in software systems for surface modeling and grid generation. Several papers describe improved techniques for grid generation.

Emission Mechanisms in X-Ray Faint Elliptical Galaxies

NASA Astrophysics Data System (ADS)

Brown, B. A.; Bregman, J. N.

1999-12-01

To understand the X-ray emission in normal elliptical galaxies, it is important to determine the relative contributions of hot interstellar gas and discrete sources to the observed emission. In X-ray luminous ellipticals, a hot gaseous component dominates the emission from X-ray binaries and other discrete sources. It is expected that, as one looks toward lower X-ray luminous galaxies, that the hot gas will contribute less to the overall X-ray emission and that discrete sources will supply most, if not all of, the observed X-ray emission. Here we examine ROSAT HRI and PSPC data for seventeen optically bright (BT < 11.15) elliptical galaxies with log(LX/L_B) < 29.7 ergs s-1/L⊙ . Radial surface brightness profiles are modeled with a modified King beta model and a de Vaucouleurs r1/4 law (similar to a beta = 0.5 beta model). For galaxy profiles where the two models are easily distinguishable, the models are combined, and fit to the data to determine or set upper limits to the discrete source contribution. The modeled data suggest that X-ray faint elliptical galaxies may still retain a sizable fraction of hot gas, but that emission from discrete sources are a significant component of the total observed X-ray emission. Support for this project has been provided by NASA and the National Academy of Sciences.

Hypersonic Navier-Stokes Comparisons to Orbiter Flight Data

NASA Technical Reports Server (NTRS)

Candler, Graham V.; Campbell, Charles H.

2010-01-01

During the STS-119 flight of Space Shuttle Discovery, two sets of surface temperature measurements were made. Under the HYTHIRM program3 quantitative thermal images of the windward side of the Orbiter with a were taken. In addition, the Boundary Layer Transition Flight Experiment 4 made thermocouple measurements at discrete locations on the Orbiter wind side. Most of these measurements were made downstream of a surface protuberance designed to trip the boundary layer to turbulent flow. In this paper, we use the US3D computational fluid dynamics code to simulate the Orbiter flow field at conditions corresponding to the STS-119 re-entry. We employ a standard two-temperature, five-species finite-rate model for high-temperature air, and the surface catalysis model of Stewart.1 This work is similar to the analysis of Wood et al . 2 except that we use a different approach for modeling turbulent flow. We use the one-equation Spalart-Allmaras turbulence model8 with compressibility corrections 9 and an approach for tripping the boundary layer at discrete locations. In general, the comparison between the simulations and flight data is remarkably good

Evaluation of a regional air-quality model with bidirectional NH3 exchange coupled to an agroecosystem modelecosystem model

EPA Science Inventory

Atmospheric ammonia (NH₃) is the primary atmospheric base and an important precursor for inorganic particulate matter and when deposited NH₃ contributes to surface water eutrophication, soil acidification and decline in species biodiversity. Flux measurement...

Metadata Creation Tool Content Template For Data Stewards

EPA Science Inventory

A space-time Bayesian fusion model (McMillan, Holland, Morara, and Feng, 2009) is used to provide daily, gridded predictive PM_2.5 (daily average) and O₃ (daily 8-hr maximum) surfaces for 2001-2005. The fusion model uses both air quality monitoring data from ...

Modelling of THM formation potential and DOM removal based on drinking water catchment characteristics.

PubMed

Awad, John; Fisk, Claire A; Cox, Jim W; Anderson, Sharolyn J; van Leeuwen, John

2018-09-01

Catchment properties influence the character and concentration of dissolved organic matter (DOM). Surface and subsurface runoff from discrete catchments were collected and DOM was measured and assessed in terms of its treatability by Enhanced Coagulation and potential for disinfection by-product (trihalomethane, THMFP) formation potential. Models were developed of [1] DOM character [i.e. SUVA and SpCoL] and concentration (measured as dissolved organic carbon), [2] treatability of DOM by coagulation/flocculation processes and [3] specific THMFP based on the catchment features including: (a) surface and sub-surface soil texture (% clay: 5-25%), (b) topography (% slope: 5-15%) and (c) vegetation cover [i.e. high photosynthetic vegetation, low photosynthetic vegetation and bare soil] extracted from RapidEye satellite imagery using spectral mixture analysis. From these models, a catchment management decision support tool was designed for application by catchment managers to support decision-making of land-use and expected water quality related to water resources for drinking water supply. Data sets used for models developing presented in this paper have been published in Research Data Australia (RDA) under the title of "Impacts of catchment properties on DOM and nutrients in waters from drinking water catchments". 1 These data sets are available in open access and published in June 2017. A catchment management decision support model (CMDSM) tool was developed. Macros created using Visual Basic for Applications in Excel 2010. Excel 2010 or higher is required to open the CMDSM tool. The tool is provided by the University of South Australia (UniSA) and is not currently available on-line so please contact the corresponding author for access or further information. Crown Copyright © 2018. Published by Elsevier B.V. All rights reserved.

Role of Microbial Exopolymeric Substances (EPS) on Chromium Sorption and Transport in Heterogeneous Subsurface Soils: I. Cr(III) Complexation with EPS in Aqueous Solution

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

C Kantar; H Demiray; N Dogan

2011-12-31

Chromium (III) binding by exopolymeric substances (EPS) isolated from Pseudomonas putida P18, Pseudomonas aeruginosa P16 and Pseudomonas stutzeri P40 strains were investigated by the determination of conditional stability constants and the concentration of functional groups using the ion-exchange experiments and potentiometric titrations. Spectroscopic (EXAFS) analysis was also used to obtain information on the nature of Cr(III) binding with EPS functional groups. The data from ion-exchange experiments and potentiometric titrations were evaluated using a non-electrostatic discrete ligand approach. The modeling results show that the acid/base properties of EPSs can be best characterized by invoking four different types of acid functional groupsmore » with arbitrarily assigned pK{sub a} values of 4, 6, 8 and 10. The analysis of ion-exchange data using the discrete ligand approach suggests that while the Cr binding by EPS from P. aeruginosa can be successfully described based on a reaction stoichiometry of 1:2 between Cr(III) and HL{sub 2} monoprotic ligands, the accurate description of Cr binding by EPSs extracted from P. putida and P. stutzeri requires postulation of 1:1 Cr(III)-ligand complexes with HL{sub 2} and HL{sub 3} monoprotic ligands, respectively. These results indicate that the carboxyl and/or phosphoric acid sites contribute to Cr(III) binding by microbial EPS, as also confirmed by EXAFS analysis performed in the current study. Overall, this study highlights the need for incorporation of Cr-EPS interactions into transport and speciation models to more accurately assess microbial Cr(VI) reduction and chromium transport in subsurface systems, including microbial reactive treatment barriers.« less

Role of microbial exopolymeric substances (EPS) on chromium sorption and transport in heterogeneous subsurface soils: I. Cr(III) complexation with EPS in aqueous solution

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

Kantar, C.; Dodge, C.; Demiray, H.

2011-01-26

Chromium (III) binding by exopolymeric substances (EPS) isolated from Pseudomonas putida P18, Pseudomonas aeruginosa P16 and Pseudomonas stutzeri P40 strains were investigated by the determination of conditional stability constants and the concentration of functional groups using the ion-exchange experiments and potentiometric titrations. Spectroscopic (EXAFS) analysis was also used to obtain information on the nature of Cr(III) binding with EPS functional groups. The data from ion-exchange experiments and potentiometric titrations were evaluated using a non-electrostatic discrete ligand approach. The modeling results show that the acid/base properties of EPSs can be best characterized by invoking four different types of acid functional groupsmore » with arbitrarily assigned pK{sub a} values of 4, 6, 8 and 10. The analysis of ion-exchange data using the discrete ligand approach suggests that while the Cr binding by EPS from P. aeruginosa can be successfully described based on a reaction stoichiometry of 1:2 between Cr(III) and HL{sub 2} monoprotic ligands, the accurate description of Cr binding by EPSs extracted from P. putida and P. stutzeri requires postulation of 1:1 Cr(III)-ligand complexes with HL{sub 2} and HL{sub 3} monoprotic ligands, respectively. These results indicate that the carboxyl and/or phosphoric acid sites contribute to Cr(III) binding by microbial EPS, as also confirmed by EXAFS analysis performed in the current study. Overall, this study highlights the need for incorporation of Cr-EPS interactions into transport and speciation models to more accurately assess microbial Cr(VI) reduction and chromium transport in subsurface systems, including microbial reactive treatment barriers.« less

Integrable structure in discrete shell membrane theory

PubMed Central

Schief, W. K.

2014-01-01

We present natural discrete analogues of two integrable classes of shell membranes. By construction, these discrete shell membranes are in equilibrium with respect to suitably chosen internal stresses and external forces. The integrability of the underlying equilibrium equations is proved by relating the geometry of the discrete shell membranes to discrete O surface theory. We establish connections with generalized barycentric coordinates and nine-point centres and identify a discrete version of the classical Gauss equation of surface theory. PMID:24808755

Integrable structure in discrete shell membrane theory.

PubMed

Schief, W K

2014-05-08

We present natural discrete analogues of two integrable classes of shell membranes. By construction, these discrete shell membranes are in equilibrium with respect to suitably chosen internal stresses and external forces. The integrability of the underlying equilibrium equations is proved by relating the geometry of the discrete shell membranes to discrete O surface theory. We establish connections with generalized barycentric coordinates and nine-point centres and identify a discrete version of the classical Gauss equation of surface theory.

Structural and phase transformation of A{sup III}B{sup V}(100) semiconductor surface in interaction with selenium

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

Bezryadin, N. N.; Kotov, G. I., E-mail: giktv@mail.ru; Kuzubov, S. V., E-mail: kuzub@land.ru

2015-03-15

Surfaces of GaAs(100), InAs(100), and GaP(100) substrates thermally treated in selenium vapor have been investigated by transmission electron microscopy and electron probe X-ray microanalysis. Some specific features and regularities of the formation of A{sub 3}{sup III}B{sub 4}{sup VI} (100)c(2 × 2) surface phases and thin layers of gallium or indium selenides A{sub 2}{sup III}B{sub 3}{sup VI} (100) on surfaces of different A{sup III}B{sup V}(100) semiconductors are discussed within the vacancy model of surface atomic structure.

[Correlative analysis of the diversity patterns of regional surface water, NDVI and thermal environment].

PubMed

Duan, Jin-Long; Zhang, Xue-Lei

2012-10-01

Taking Zhengzhou City, the capital of Henan Province in Central China, as the study area, and by using the theories and methodologies of diversity, a discreteness evaluation on the regional surface water, normalized difference vegetation index (NDVI), and land surface temperature (LST) distribution was conducted in a 2 km x 2 km grid scale. Both the NDVI and the LST were divided into 4 levels, their spatial distribution diversity indices were calculated, and their connections were explored. The results showed that it was of operability and practical significance to use the theories and methodologies of diversity in the discreteness evaluation of the spatial distribution of regional thermal environment. There was a higher overlap of location between the distributions of surface water and the lowest temperature region, and the high vegetation coverage was often accompanied by low land surface temperature. In 1988-2009, the discreteness of the surface water distribution in the City had an obvious decreasing trend. The discreteness of the surface water distribution had a close correlation with the discreteness of the temperature region distribution, while the discreteness of the NDVI classification distribution had a more complicated correlation with the discreteness of the temperature region distribution. Therefore, more environmental factors were needed to be included for a better evaluation.

Potential surface for the collinear collision of Ne and H/sub 2//sup +/. [eendoergicity, surface parametrization

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

Hayes, E.F.; Siu, A.K.Q.; Chapman, F.M. Jr.

1976-09-01

A potential energy surface for the Ne--H/sub 2//sup +/ reaction has been obtained in the LCAO--MO--SCF approximation. Analysis of the surface indicates that the reaction Ne+H/sub 2//sup +/..-->..NeH/sup +/+H should proceed with an endoergicity of 12 kcal/mole, in agreement with the experimental results of Chupka and Russell. Several procedures for parameterizing a diatomics-in-molecules (DIM) representation of the NeH/sub 2//sup +/ surface are considered. The results show that an accurate representation of the SCF surface can be obtained from the DIM model using a minimum of diatomic and triatomic data. (AIP)

The effects of Venus' thermal structure on buoyant magma ascent

NASA Technical Reports Server (NTRS)

Sakimoto, S. E. H.; Zuber, M. T.

1992-01-01

The recent Magellan images have revealed a broad spatial distribution of surface volcanism on Venus. Previous work in modeling the ascent of magma on both Venus and Earth has indicated that the planetary thermal structure significantly influences the magmatic cooling rates and thus the amount of magma that can be transported to the surface before solidification. In order to understand which aspects of the thermal structure have the greatest influence on the cooling of ascending magma, we have constructed magma cooling curves for both plutonic and crack buoyant ascent mechanisms, and evaluated the curves for variations in the planetary mantle temperature, thermal gradient curvature with depth, surface temperature gradient, and surface temperature. The planetary thermal structure is modeled as T/T(sub 0) = 1-tau(1-Z/Z(sub 0)(exp n), where T is the temperature, T(sub 0) is the source depth temperature, tau = 1-(T(sub s)/T(sub 0)) where T(sub s) is the planetary surface temperature, Z is the depth, Z(sub 0) is the source depth, and n is a constant that controls thermal gradient curvature with depth. The equation is used both for mathematical convenience and flexibility, as well as its fit to the thermal gradients predicted by the cooling half-space models. We assume a constant velocity buoyant ascent, body-averaged magma temperatures and properties, an initially crystal-free magma, and the same liquidus and solidus for both Venus and Earth.

Discrete-Element bonded-particle Sea Ice model DESIgn, version 1.3a - model description and implementation

NASA Astrophysics Data System (ADS)

Herman, Agnieszka

2016-04-01

This paper presents theoretical foundations, numerical implementation and examples of application of the two-dimensional Discrete-Element bonded-particle Sea Ice model - DESIgn. In the model, sea ice is represented as an assemblage of objects of two types: disk-shaped "grains" and semi-elastic bonds connecting them. Grains move on the sea surface under the influence of forces from the atmosphere and the ocean, as well as interactions with surrounding grains through direct contact (Hertzian contact mechanics) and/or through bonds. The model has an experimental option of taking into account quasi-three-dimensional effects related to the space- and time-varying curvature of the sea surface, thus enabling simulation of ice breaking due to stresses resulting from bending moments associated with surface waves. Examples of the model's application to simple sea ice deformation and breaking problems are presented, with an analysis of the influence of the basic model parameters ("microscopic" properties of grains and bonds) on the large-scale response of the modeled material. The model is written as a toolbox suitable for usage with the open-source numerical library LIGGGHTS. The code, together with full technical documentation and example input files, is freely available with this paper and on the Internet.

Dependence of Lunar Surface Charging on Solar Wind Plasma Conditions and Solar Irradiation

NASA Technical Reports Server (NTRS)

Stubbs, T. J.; Farrell, W. M.; Halekas, J. S.; Burchill, J. K.; Collier, M. R.; Zimmerman, M. I.; Vondrak, R. R.; Delory, G. T.; Pfaff, R. F.

2014-01-01

The surface of the Moon is electrically charged by exposure to solar radiation on its dayside, as well as by the continuous flux of charged particles from the various plasma environments that surround it. An electric potential develops between the lunar surface and ambient plasma, which manifests itself in a near-surface plasma sheath with a scale height of order the Debye length. This study investigates surface charging on the lunar dayside and near-terminator regions in the solar wind, for which the dominant current sources are usually from the pohotoemission of electrons, J(sub p), and the collection of plasma electrons J(sub e) and ions J(sub i). These currents are dependent on the following six parameters: plasma concentration n(sub 0), electron temperature T(sub e), ion temperature T(sub i), bulk flow velocity V, photoemission current at normal incidence J(sub P0), and photo electron temperature T(sub p). Using a numerical model, derived from a set of eleven basic assumptions, the influence of these six parameters on surface charging - characterized by the equilibrium surface potential, Debye length, and surface electric field - is investigated as a function of solar zenith angle. Overall, T(sub e) is the most important parameter, especially near the terminator, while J(sub P0) and T(sub p) dominate over most of the dayside.

The effect of catchment discretization on rainfall-runoff model predictions

NASA Astrophysics Data System (ADS)

Goodrich, D.; Grayson, R.; Willgoose, G.; Palacios-Valez, O.; Bloschl, G.

2003-04-01

Application of distributed hydrologic watershed models fundamentally requires watershed partitioning or discretization. In addition to partitioning the watershed into modelling elements, these elements typically represent a further abstraction of the actual watershed surface and its relevant hydrologic properties. A critical issue that must be addressed by any user of these models prior to their application is definition of an acceptable level and type of watershed discretization or geometric model complexity. A quantitative methodology to define a level of geometric model complexity commensurate with a specified level of model performance is developed for watershed rainfall-runoff modelling. The methodology is tested on four subcatchments which cover a range of watershed scales of over three orders of magnitude in the USDA-ARS Walnut Gulch Experimental Watershed in Southeastern Arizona. It was found that distortion of the hydraulic roughness can compensate for a lower level of discretization (fewer channels) to a point. Beyond this point, hydraulic roughness distortion cannot compensate for the topographic distortion of representing the watershed by fewer elements (e.g. less complex channel network). Similarly, differences in representation of topography by different model or digital elevation model (DEM) types (e.g. Triangular Irregular Elements - TINs; contour lines; and regular grid DEMs) also result in difference in runoff routing responses that can be largely compensated for by a distortion in hydraulic roughness or path length. To put the effect of these discretization models in context it will be shown that relatively small non-compliance with Peclet number restrictions on timestep size can overwhelm the relatively modest differences resulting from the type of representation of topography.

Comparison of Compressed Sensing Algorithms for Inversion of 3-D Electrical Resistivity Tomography.

NASA Astrophysics Data System (ADS)

Peddinti, S. R.; Ranjan, S.; Kbvn, D. P.

2016-12-01

Image reconstruction algorithms derived from electrical resistivity tomography (ERT) are highly non-linear, sparse, and ill-posed. The inverse problem is much severe, when dealing with 3-D datasets that result in large sized matrices. Conventional gradient based techniques using L2 norm minimization with some sort of regularization can impose smoothness constraint on the solution. Compressed sensing (CS) is relatively new technique that takes the advantage of inherent sparsity in parameter space in one or the other form. If favorable conditions are met, CS was proven to be an efficient image reconstruction technique that uses limited observations without losing edge sharpness. This paper deals with the development of an open source 3-D resistivity inversion tool using CS framework. The forward model was adopted from RESINVM3D (Pidlisecky et al., 2007) with CS as the inverse code. Discrete cosine transformation (DCT) function was used to induce model sparsity in orthogonal form. Two CS based algorithms viz., interior point method and two-step IST were evaluated on a synthetic layered model with surface electrode observations. The algorithms were tested (in terms of quality and convergence) under varying degrees of parameter heterogeneity, model refinement, and reduced observation data space. In comparison to conventional gradient algorithms, CS was proven to effectively reconstruct the sub-surface image with less computational cost. This was observed by a general increase in NRMSE from 0.5 in 10 iterations using gradient algorithm to 0.8 in 5 iterations using CS algorithms.

An Equivalent Fracture Modeling Method

NASA Astrophysics Data System (ADS)

Li, Shaohua; Zhang, Shujuan; Yu, Gaoming; Xu, Aiyun

2017-12-01

3D fracture network model is built based on discrete fracture surfaces, which are simulated based on fracture length, dip, aperture, height and so on. The interesting area of Wumishan Formation of Renqiu buried hill reservoir is about 57 square kilometer and the thickness of target strata is more than 2000 meters. In addition with great fracture density, the fracture simulation and upscaling of discrete fracture network model of Wumishan Formation are very intense computing. In order to solve this problem, a method of equivalent fracture modeling is proposed. First of all, taking the fracture interpretation data obtained from imaging logging and conventional logging as the basic data, establish the reservoir level model, and then under the constraint of reservoir level model, take fault distance analysis model as the second variable, establish fracture density model by Sequential Gaussian Simulation method. Increasing the width, height and length of fracture, at the same time decreasing its density in order to keep the similar porosity and permeability after upscaling discrete fracture network model. In this way, the fracture model of whole interesting area can be built within an accepted time.

The tropical water and energy cycles in a cumulus ensemble model. Part 1: Equilibrium climate

NASA Technical Reports Server (NTRS)

Sui, C. H.; Lau, K. M.; Tao, W. K.; Simpson, J.

1994-01-01

A cumulus ensemble model is used to study the tropical water and energy cycles and their role in the climate system. The model includes cloud dynamics, radiative processes, and microphysics that incorporate all important production and conversion processes among water vapor and five species of hydrometeors. Radiative transfer in clouds is parameterized based on cloud contents and size distributions of each bulk hydrometeor. Several model integrations have been carried out under a variety of imposed boundary and large-scale conditions. In Part 1 of this paper, the primary focus is on the water and heat budgets of the control experiment, which is designed to simulate the convective - radiative equilibrium response of the model to an imposed vertical velocity and a fixed sea surface temperature at 28 C. The simulated atmosphere is conditionally unstable below the freezing level and close to neutral above the freezing level. The equilibrium water budget shows that the total moisture source, M(sub s), which is contributed by surface evaporation (0.24 M(sub s)) and the large-scale advection (0.76 M(sub s)), all converts to mean surface precipitation bar-P(sub s). Most of M(sub s) is transported verticaly in convective regions where much of the condensate is generated and falls to surface (0.68 bar-P(sub s)). The remaining condensate detrains at a rate of 0.48 bar-P(sub s) and constitutes 65% of the source for stratiform clouds above the melting level. The upper-level stratiform cloud dissipates into clear environment at a rate of 0.14 bar-P(sub s), which is a significant moisture source comparable to the detrained water vapor (0.15 bar-P(sub s)) to the upper troposphere from convective clouds. In the lower troposphere, stratiform clouds evaporate at a rate of 0.41 bar-P(sub s), which is a more dominant moisture source than surface evaporation (0.22 bar-P(sub s)). The precipitation falling to the surface in the stratiform region is about 0.32 bar-P(sub s). The associated latent heating in the water cycle is the dominant source in the heat budget that generates a net upward motion in convective regions, upper stratiform regions (above the freezing level), and a downward motion in the lower stratiform regions. The budgets reveal a cycle of water and energy resulted from radiation-dynamic-convection interactions that maintain equilibrium of the atmosphere.

Application of 2D-Nonlinear Shallow Water Model of Tsunami by using Adomian Decomposition Method

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

Waewcharoen, Sribudh; Boonyapibanwong, Supachai; Koonprasert, Sanoe

2008-09-01

One of the most important questions in tsunami modeling is the estimation of tsunami run-up heights at different points along a coastline. Methods for numerical simulation of tsunami wave propagation in deep and shallow seas are well developed and have been widely used by many scientists (2001-2008). In this paper, we consider a two-dimensional nonlinear shallow water model of tsunami given by Tivon Jacobson is work [1]. u{sub t}+uu{sub x}+{nu}u{sub y} -c{sup 2}(h{sub x}+(h{sub b}){sub x}) {nu}{sub t}+u{nu}{sub x}+{nu}{nu}{sub y} = -c{sup 2}(h{sub y}+(h{sub b}){sub y}) h{sub t}+(hu){sub x}+(h{nu}){sub y} = 0 g-shore, h is surface elevation and s, tmore » is time, u is velocity of cross-shore, {nu} is velocity of along-shore, h is surface elevation and h{sub b} is function of shore. This is a nondimensionalized model with the gravity g and constant reference depth H factored into c = {radical}(gH). We apply the Adomian Decompostion Method (ADM) to solve the tsunami model. This powerful method has been used to obtain explicit and numerical solutions of three types of diffusion-convection-reaction (DECR) equations. The ADM results for the tsunami model yield analytical solutions in terms of a rapidly convergent infinite power series. Symbolic computation, numerical results and graphs of solutions are obtained by Maple program.« less

Warship Combat System Selection Methodology Based on Discrete Event Simulation

DTIC Science & Technology

2010-09-01

Platform (from Spanish) PD Damage Probability xiv PHit Hit Probability PKill Kill Probability RSM Response Surface Model SAM Surface-Air Missile...such a large target allows an assumption that the probability of a hit ( PHit ) is one. This structure can be considered as a bridge; therefore, the

High frequency acoustic propagation under variable sea surfaces

NASA Astrophysics Data System (ADS)

Senne, Joseph

This dissertation examines the effects of rough sea surfaces and sub-surface bubbles on high frequency acoustic transmissions. Owing to the strong attenuation of electromagnetic waves in seawater, acoustic waves are used in the underwater realm much in the same way that electromagnetic waves are used in the atmosphere. The transmission and reception of acoustic waves in the underwater environment is important for a variety of fields including navigation, ocean observation, and real-time communications. Rough sea surfaces and sub-surface bubbles alter the acoustic signals that are received not only in the near-surface water column, but also at depth. This dissertation demonstrates that surface roughness and sub-surface bubbles notably affect acoustic transmissions with frequency ranges typical of underwater communications systems (10-50 kHz). The influence of rough surfaces on acoustic transmissions is determined by modeling forward propagation subject to sea surface dynamics that vary with time scales of less than a second to tens of seconds. A time-evolving rough sea surface model is combined with a rough surface formulation of a parabolic equation model for predicting time-varying acoustic fields. Linear surface waves are generated from surface wave spectra, and evolved in time using a Runge-Kutta integration technique. This evolving, range-dependent surface information is combined with other environmental parameters and fed into the acoustic model, giving an approximation of the time-varying acoustic field. The wide-angle parabolic equation model manages the rough sea surfaces by molding them into the boundary conditions for calculations of the near-surface acoustic field. The influence of sub-surface bubbles on acoustic transmissions is determined by modeling the population of bubbles near the surface and using those populations to approximate the effective changes in sound speed and attenuation. Both range-dependent and range-independent bubble models are considered, with the range-dependent model varying over the same time scales as the sea surface model and the range-independent model invariant over time. The bubble-induced sound speed and attenuation fluctuations are read in by the parabolic equation model, which allows for the effects of surface roughness and sub-surface bubbles to be computed separately or together. These merged acoustic models are validated using concurrently-collected acoustic and environmental information, including surface wave spectra. Data to model comparisons demonstrate that the models are able to approximate the ensemble-averaged acoustic intensity at ranges of at least a kilometer for acoustic signals of 10-20 kHz. The rough surface model is shown to capture variations due to surface fluctuations occurring over time scales of less than a second to tens of seconds. The separate bubble models demonstrate the abilities to account for the intermittency of bubble plumes and to determine overall effect of bubbly layers, respectively. The models are shown to capture variations in the acoustic field occurring over time scales of less than a second to tens of seconds. Comparisons against data demonstrate the ability of the model to track acoustic transmissions under evolving sea surfaces. The effects of the evolving bubble field are demonstrated through the use of idealized test cases. For frequency ranges important to communications, surface roughness is shown to have the more dominant effect, with bubbles having an ancillary effect.

Three-dimensional aerodynamic shape optimization of supersonic delta wings

NASA Technical Reports Server (NTRS)

Burgreen, Greg W.; Baysal, Oktay

1994-01-01

A recently developed three-dimensional aerodynamic shape optimization procedure AeSOP(sub 3D) is described. This procedure incorporates some of the most promising concepts from the area of computational aerodynamic analysis and design, specifically, discrete sensitivity analysis, a fully implicit 3D Computational Fluid Dynamics (CFD) methodology, and 3D Bezier-Bernstein surface parameterizations. The new procedure is demonstrated in the preliminary design of supersonic delta wings. Starting from a symmetric clipped delta wing geometry, a Mach 1.62 asymmetric delta wing and two Mach 1. 5 cranked delta wings were designed subject to various aerodynamic and geometric constraints.

A continuous surface reconstruction method on point cloud captured from a 3D surface photogrammetry system

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

Liu, Wenyang; Cheung, Yam; Sabouri, Pouya

2015-11-15

Purpose: To accurately and efficiently reconstruct a continuous surface from noisy point clouds captured by a surface photogrammetry system (VisionRT). Methods: The authors have developed a level-set based surface reconstruction method on point clouds captured by a surface photogrammetry system (VisionRT). The proposed method reconstructs an implicit and continuous representation of the underlying patient surface by optimizing a regularized fitting energy, offering extra robustness to noise and missing measurements. By contrast to explicit/discrete meshing-type schemes, their continuous representation is particularly advantageous for subsequent surface registration and motion tracking by eliminating the need for maintaining explicit point correspondences as in discretemore » models. The authors solve the proposed method with an efficient narrowband evolving scheme. The authors evaluated the proposed method on both phantom and human subject data with two sets of complementary experiments. In the first set of experiment, the authors generated a series of surfaces each with different black patches placed on one chest phantom. The resulting VisionRT measurements from the patched area had different degree of noise and missing levels, since VisionRT has difficulties in detecting dark surfaces. The authors applied the proposed method to point clouds acquired under these different configurations, and quantitatively evaluated reconstructed surfaces by comparing against a high-quality reference surface with respect to root mean squared error (RMSE). In the second set of experiment, the authors applied their method to 100 clinical point clouds acquired from one human subject. In the absence of ground-truth, the authors qualitatively validated reconstructed surfaces by comparing the local geometry, specifically mean curvature distributions, against that of the surface extracted from a high-quality CT obtained from the same patient. Results: On phantom point clouds, their method achieved submillimeter reconstruction RMSE under different configurations, demonstrating quantitatively the faith of the proposed method in preserving local structural properties of the underlying surface in the presence of noise and missing measurements, and its robustness toward variations of such characteristics. On point clouds from the human subject, the proposed method successfully reconstructed all patient surfaces, filling regions where raw point coordinate readings were missing. Within two comparable regions of interest in the chest area, similar mean curvature distributions were acquired from both their reconstructed surface and CT surface, with mean and standard deviation of (μ{sub recon} = − 2.7 × 10{sup −3} mm{sup −1}, σ{sub recon} = 7.0 × 10{sup −3} mm{sup −1}) and (μ{sub CT} = − 2.5 × 10{sup −3} mm{sup −1}, σ{sub CT} = 5.3 × 10{sup −3} mm{sup −1}), respectively. The agreement of local geometry properties between the reconstructed surfaces and the CT surface demonstrated the ability of the proposed method in faithfully representing the underlying patient surface. Conclusions: The authors have integrated and developed an accurate level-set based continuous surface reconstruction method on point clouds acquired by a 3D surface photogrammetry system. The proposed method has generated a continuous representation of the underlying phantom and patient surfaces with good robustness against noise and missing measurements. It serves as an important first step for further development of motion tracking methods during radiotherapy.« less

Effective use of surface-water management to control saltwater intrusion

NASA Astrophysics Data System (ADS)

Hughes, J. D.; White, J.

2012-12-01

The Biscayne aquifer in southeast Florida is susceptible to saltwater intrusion and inundation from rising sea-level as a result of high groundwater withdrawal rates and low topographic relief. Groundwater levels in the Biscayne aquifer are managed by an extensive canal system that is designed to control flooding, supply recharge to municipal well fields, and control saltwater intrusion. We present results from an integrated surface-water/groundwater model of a portion of the Biscayne aquifer to evaluate the ability of the existing managed surface-water control network to control saltwater intrusion. Surface-water stage and flow are simulated using a hydrodynamic model that solves the diffusive-wave approximation of the depth-integrated shallow surface-water equations. Variable-density groundwater flow and fluid density are solved using the Oberbeck--Boussinesq approximation of the three-dimensional variable-density groundwater flow equation and a sharp interface approximation, respectively. The surface-water and variable-density groundwater domains are implicitly coupled during each Picard iteration. The Biscayne aquifer is discretized into a multi-layer model having a 500-m square horizontal grid spacing. All primary and secondary surface-water features in the active model domain are discretized into segments using the 500-m square horizontal grid. A 15-year period of time is simulated and the model includes 66 operable surface-water control structures, 127 municipal production wells, and spatially-distributed daily internal and external hydrologic stresses. Numerical results indicate that the existing surface-water system can be effectively used in many locations to control saltwater intrusion in the Biscayne aquifer resulting from increases in groundwater withdrawals or sea-level rise expected to occur over the next 25 years. In other locations, numerical results indicate surface-water control structures and/or operations may need to be modified to control saltwater intrusion.

Cast Stone Oxidation Front Evaluation: Preliminary Results For Samples Exposed To Moist Air

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

Langton, C. A.; Almond, P. M.

The rate of oxidation is important to the long-term performance of reducing salt waste forms because the solubility of some contaminants, e.g., technetium, is a function of oxidation state. TcO{sub 4}{sup -} in the salt solution is reduced to Tc(IV) and has been shown to react with ingredients in the waste form to precipitate low solubility sulfide and/or oxide phases. Upon exposure to oxygen, the compounds containing Tc(IV) oxidize to the pertechnetate ion, Tc(VII)O{sub 4}{sup -}, which is very soluble. Consequently the rate of technetium oxidation front advancement into a monolith and the technetium leaching profile as a function ofmore » depth from an exposed surface are important to waste form performance and ground water concentration predictions. An approach for measuring contaminant oxidation rate (effective contaminant specific oxidation rate) based on leaching of select contaminants of concern is described in this report. In addition, the relationship between reduction capacity and contaminant oxidation is addressed. Chromate (Cr(VI) was used as a non-radioactive surrogate for pertechnetate, Tc(VII), in Cast Stone samples prepared with 5 M Simulant. Cast Stone spiked with pertechnetate was also prepared and tested. Depth discrete subsamples spiked with Cr were cut from Cast Stone exposed to Savannah River Site (SRS) outdoor ambient temperature fluctuations and moist air. Depth discrete subsamples spiked with Tc-99 were cut from Cast Stone exposed to laboratory ambient temperature fluctuations and moist air. Similar conditions are expected to be encountered in the Cast Stone curing container. The leachability of Cr and Tc-99 and the reduction capacities, measured by the Angus-Glasser method, were determined for each subsample as a function of depth from the exposed surface. The results obtained to date were focused on continued method development and are preliminary and apply to the sample composition and curing / exposure conditions described in this report. The Cr oxidation front (depth to which soluble Cr was detected) for the Cast Stone sample exposed for 68 days to ambient outdoor temperatures and humid air (total age of sample was 131 days) was determined to be about 35 mm below the top sample surface exposed. The Tc oxidation front, depth at which Tc was insoluble, was not determined. Interpretation of the results indicates that the oxidation front is at least 38 mm below the exposed surface. The sample used for this measurement was exposed to ambient laboratory conditions and humid air for 50 days. The total age of the sample was 98 days. Technetium appears to be more easily oxidized than Cr in the Cast Stone matrix. The oxidized forms of Tc and Cr are soluble and therefore leachable. Longer exposure times are required for both the Cr and Tc spiked samples to better interpret the rate of oxidation. Tc spiked subsamples need to be taken further from the exposed surface to better define and interpret the leachable Tc profile. Finally Tc(VII) reduction to Tc(IV) appears to occur relatively fast. Results demonstrated that about 95 percent of the Tc(VII) was reduced to Tc(IV) during the setting and very early stage setting for a Cast Stone sample cured 10 days. Additional testing at longer curing times is required to determine whether additional time is required to reduce 100 % of the Tc(VII) in Cast Stone or whether the Tc loading exceeded the ability of the waste form to reduce 100 % of the Tc(VII). Additional testing is required for samples cured for longer times. Depth discrete subsampling in a nitrogen glove box is also required to determine whether the 5 percent Tc extracted from the subsamples was the result of the sampling process which took place in air. Reduction capacity measurements (per the Angus-Glasser method) performed on depth discrete samples could not be correlated with the amount of chromium or technetium leached from the depth discrete subsamples or with the oxidation front inferred from soluble chromium and technetium (i.e., effective Cr and Tc oxidation fronts). Residual reduction capacity in the oxidized region of the test samples indicates that the remaining reduction capacity is not effective in re-reducing Cr(VI) or Tc(VII) in the presence of oxygen. Depth discrete sampling and leaching is a useful for evaluating Cast Stone and other chemically reducing waste forms containing ground granulated blast furnace slag (GGBFS) or other reduction / sequestration reagents to control redox sensitive contaminant chemistry and leachability in the near surface disposal environment. Based on results presented in this report, reduction capacity measured by the Angus-Glasser Ce(IV) method is not an appropriate or meaningful parameter for determining or predicting Tc and Cr oxidation / retentions, speciation, or solubilities in cementitious materials such as Cast Stone. A model for predicting Tc(IV) oxidation to soluble Tc(VII) should consider the waste form porosity (pathway for oxygen ingress), oxygen source, and the contaminant specific oxidation rates and oxidation fronts. Depth discrete sampling of materials exposed to realistic conditions in combination with short term leaching of crushed samples has potential for advancing the understanding of factors influencing performance. This information can be used to support conceptual model development.« less

S{sub 2}SA preconditioning for the S{sub n} equations with strictly non negative spatial discretization

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

Bruss, D. E.; Morel, J. E.; Ragusa, J. C.

2013-07-01

Preconditioners based upon sweeps and diffusion-synthetic acceleration have been constructed and applied to the zeroth and first spatial moments of the 1-D S{sub n} transport equation using a strictly non negative nonlinear spatial closure. Linear and nonlinear preconditioners have been analyzed. The effectiveness of various combinations of these preconditioners are compared. In one dimension, nonlinear sweep preconditioning is shown to be superior to linear sweep preconditioning, and DSA preconditioning using nonlinear sweeps in conjunction with a linear diffusion equation is found to be essentially equivalent to nonlinear sweeps in conjunction with a nonlinear diffusion equation. The ability to use amore » linear diffusion equation has important implications for preconditioning the S{sub n} equations with a strictly non negative spatial discretization in multiple dimensions. (authors)« less

Ion association at discretely-charged dielectric interfaces: Giant charge inversion

NASA Astrophysics Data System (ADS)

Wang, Zhi-Yong; Wu, Jianzhong

2017-07-01

Giant charge reversal has been identified for the first time by Monte Carlo simulation for a discretely charged surface in contact with a trivalent electrolyte solution. It takes place regardless of the surface charge density under study and the monovalent salt. In stark contrast to earlier predictions based on the 2-dimensional Wigner crystal model to describe strong correlation of counterions at the macroion surface, we find that giant charge reversal reflects an intricate interplay of ionic volume effects, electrostatic correlations, surface charge heterogeneity, and the dielectric response of the confined fluids. While the novel phenomenon is yet to be confirmed with experiment, the simulation results appear in excellent agreement with a wide range of existing observations in the subregime of charge inversion. Our findings may have far-reaching implications to understanding complex electrochemical phenomena entailing ionic fluids under dielectric confinements.

A stepwise-cluster microbial biomass inference model in food waste composting

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

Sun Wei; Huang, Guo H., E-mail: huangg@iseis.or; Chinese Research Academy of Environmental Science, North China Electric Power University, Beijing 100012-102206

2009-12-15

A stepwise-cluster microbial biomass inference (SMI) model was developed through introducing stepwise-cluster analysis (SCA) into composting process modeling to tackle the nonlinear relationships among state variables and microbial activities. The essence of SCA is to form a classification tree based on a series of cutting or mergence processes according to given statistical criteria. Eight runs of designed experiments in bench-scale reactors in a laboratory were constructed to demonstrate the feasibility of the proposed method. The results indicated that SMI could help establish a statistical relationship between state variables and composting microbial characteristics, where discrete and nonlinear complexities exist. Significance levelsmore » of cutting/merging were provided such that the accuracies of the developed forecasting trees were controllable. Through an attempted definition of input effects on the output in SMI, the effects of the state variables on thermophilic bacteria were ranged in a descending order as: Time (day) > moisture content (%) > ash content (%, dry) > Lower Temperature (deg. C) > pH > NH{sub 4}{sup +}-N (mg/Kg, dry) > Total N (%, dry) > Total C (%, dry); the effects on mesophilic bacteria were ordered as: Time > Upper Temperature (deg. C) > Total N > moisture content > NH{sub 4}{sup +}-N > Total C > pH. This study made the first attempt in applying SCA to mapping the nonlinear and discrete relationships in composting processes.« less

A patient-specific aortic valve model based on moving resistive immersed implicit surfaces.

PubMed

Fedele, Marco; Faggiano, Elena; Dedè, Luca; Quarteroni, Alfio

2017-10-01

In this paper, we propose a full computational framework to simulate the hemodynamics in the aorta including the valve. Closed and open valve surfaces, as well as the lumen aorta, are reconstructed directly from medical images using new ad hoc algorithms, allowing a patient-specific simulation. The fluid dynamics problem that accounts from the movement of the valve is solved by a new 3D-0D fluid-structure interaction model in which the valve surface is implicitly represented through level set functions, yielding, in the Navier-Stokes equations, a resistive penalization term enforcing the blood to adhere to the valve leaflets. The dynamics of the valve between its closed and open position is modeled using a reduced geometric 0D model. At the discrete level, a finite element formulation is used and the SUPG stabilization is extended to include the resistive term in the Navier-Stokes equations. Then, after time discretization, the 3D fluid and 0D valve models are coupled through a staggered approach. This computational framework, applied to a patient-specific geometry and data, allows to simulate the movement of the valve, the sharp pressure jump occurring across the leaflets, and the blood flow pattern inside the aorta.

Enhanced flashover strength in polyethylene nanodielectrics by secondary electron emission modification

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

Wang, Weiwang; Li, Shengtao, E-mail: sli@xjtu.edu.cn; Min, Daomin

2016-04-15

This work studies the correlation between secondary electron emission (SEE) characteristics and impulse surface flashover in polyethylene nanodielectrics both theoretically and experimentally, and illustrates the enhancement of flashover voltage in low-density polyethylene (LDPE) through incorporating Al{sub 2}O{sub 3} nanoparticles. SEE characteristics play key roles in surface charging and gas desorption during surface flashover. This work demonstrates that the presence of Al{sub 2}O{sub 3} nanoparticles decreases the SEE coefficient of LDPE and enhances the impact energy at the equilibrium state of surface charging. These changes can be explained by the increase of surface roughness and of surface ionization energy, and themore » strong interaction between nanoparticles and the polymer dielectric matrix. The surface charge and flashover voltage are calculated according to the secondary electron emission avalanche (SEEA) model, which reveals that the positive surface charges are reduced near the cathode triple point, while the presence of more nanoparticles in high loading samples enhances the gas desorption. Consequently, the surface flashover performance of LDPE/Al{sub 2}O{sub 3} nanodielectrics is improved.« less

Application of a simple cerebellar model to geologic surface mapping

USGS Publications Warehouse

Hagens, A.; Doveton, J.H.

1991-01-01

Neurophysiological research into the structure and function of the cerebellum has inspired computational models that simulate information processing associated with coordination and motor movement. The cerebellar model arithmetic computer (CMAC) has a design structure which makes it readily applicable as an automated mapping device that "senses" a surface, based on a sample of discrete observations of surface elevation. The model operates as an iterative learning process, where cell weights are continuously modified by feedback to improve surface representation. The storage requirements are substantially less than those of a conventional memory allocation, and the model is extended easily to mapping in multidimensional space, where the memory savings are even greater. ?? 1991.

Trajectory fitting in function space with application to analytic modeling of surfaces

NASA Technical Reports Server (NTRS)

Barger, Raymond L.

1992-01-01

A theory for representing a parameter-dependent function as a function trajectory is described. Additionally, a theory for determining a piecewise analytic fit to the trajectory is described. An example is given that illustrates the application of the theory to generating a smooth surface through a discrete set of input cross-section shapes. A simple procedure for smoothing in the parameter direction is discussed, and a computed example is given. Application of the theory to aerodynamic surface modeling is demonstrated by applying it to a blended wing-fuselage surface.

Divergence preserving discrete surface integral methods for Maxwell's curl equations using non-orthogonal unstructured grids

NASA Technical Reports Server (NTRS)

Madsen, Niel K.

1992-01-01

Several new discrete surface integral (DSI) methods for solving Maxwell's equations in the time-domain are presented. These methods, which allow the use of general nonorthogonal mixed-polyhedral unstructured grids, are direct generalizations of the canonical staggered-grid finite difference method. These methods are conservative in that they locally preserve divergence or charge. Employing mixed polyhedral cells, (hexahedral, tetrahedral, etc.) these methods allow more accurate modeling of non-rectangular structures and objects because the traditional stair-stepped boundary approximations associated with the orthogonal grid based finite difference methods can be avoided. Numerical results demonstrating the accuracy of these new methods are presented.

ACETYLENE ON TITAN’S SURFACE

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

Singh, S.; McCord, T. B.; Combe, J-Ph.

2016-09-01

Titan’s atmosphere is opaque in the near-infrared due to gaseous absorptions, mainly by methane, and scattering by aerosols, except in a few “transparency windows.” Thus, the composition of Titan’s surface remains difficult to access from space and is still poorly constrained. Photochemical models suggest that most of the organic compounds formed in the atmosphere are heavy enough to condense and build up at the surface in liquid and solid states over geological timescales. Acetylene (C{sub 2}H{sub 2}) net production in the atmosphere is predicted to be larger than any other compound and C{sub 2}H{sub 2} has been speculated to existmore » on the surface of Titan. C{sub 2}H{sub 2} was detected as a trace gas sublimated/evaporated from the surface using the Gas Chromatograph Mass Spectrometer after the landing of the Huygens probe. Here we show evidence of C{sub 2}H{sub 2} on the surface of Titan by detecting absorption bands at 1.55 and 4.93 μ m using the Cassini Visual and Infrared Mapping Spectrometer at three different equatorial areas—Tui Regio, eastern Shangri La, and Fensal–Aztlan/Quivira. We found that C{sub 2}H{sub 2} is preferentially detected in low-albedo areas, such as sand dunes and near the Huygens landing site. The specific location of the C{sub 2}H{sub 2} detections suggests that C{sub 2}H{sub 2} is mobilized by surface processes, such as surface weathering by liquids through dissolution/evaporation processes.« less

Discrete-Layer Piezoelectric Plate and Shell Models for Active Tip-Clearance Control

NASA Technical Reports Server (NTRS)

Heyliger, P. R.; Ramirez, G.; Pei, K. C.

1994-01-01

The objectives of this work were to develop computational tools for the analysis of active-sensory composite structures with added or embedded piezoelectric layers. The targeted application for this class of smart composite laminates and the analytical development is the accomplishment of active tip-clearance control in turbomachinery components. Two distinct theories and analytical models were developed and explored under this contract: (1) a discrete-layer plate theory and corresponding computational models, and (2) a three dimensional general discrete-layer element generated in curvilinear coordinates for modeling laminated composite piezoelectric shells. Both models were developed from the complete electromechanical constitutive relations of piezoelectric materials, and incorporate both displacements and potentials as state variables. This report describes the development and results of these models. The discrete-layer theories imply that the displacement field and electrostatic potential through-the-thickness of the laminate are described over an individual layer rather than as a smeared function over the thickness of the entire plate or shell thickness. This is especially crucial for composites with embedded piezoelectric layers, as the actuating and sensing elements within these layers are poorly represented by effective or smeared properties. Linear Lagrange interpolation polynomials were used to describe the through-thickness laminate behavior. Both analytic and finite element approximations were used in the plane or surface of the structure. In this context, theoretical developments are presented for the discrete-layer plate theory, the discrete-layer shell theory, and the formulation of an exact solution for simply-supported piezoelectric plates. Finally, evaluations and results from a number of separate examples are presented for the static and dynamic analysis of the plate geometry. Comparisons between the different approaches are provided when possible, and initial conclusions regarding the accuracy and limitations of these models are given.

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

USGS Publications Warehouse

Leake, Stanley A.; Pool, Donald R.

2010-01-01

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

Numerical modeling of the atmosphere with an isentropic vertical coordinate

NASA Technical Reports Server (NTRS)

Hsu, Yueh-Jiuan G.; Arakawa, Akio

1990-01-01

A theta-coordinate model simulating the nonlinear evolution of a baroclinic wave is presented. In the model, vertical discretization maintains important integral constraints such as conservation of the angular momentum and total energy. A massless-layer approach is used in the treatment of the intersections of coordinate surfaces with the lower boundary. This formally eliminates the intersection problem, but raises other computational problems. Horizontal discretization of the continuity and momentum equations in the model are designed to overcome these problems. Selected results from a 10-day integration with the 25-layer, beta-plane version of the model are presented. It is concluded that the model can simulate the nonlinear evolution of a baroclinic wave and associated dynamical processes without major computational difficulties.

Regional Analysis of Stormwater Runoff for the Placement of Managed Aquifer Recharge Sites in Santa Cruz and Northern Monterey Counties, California

NASA Astrophysics Data System (ADS)

Young, K. S.; Beganskas, S.; Fisher, A. T.

2015-12-01

We apply a USGS surface hydrology model, Precipitation-Runoff Modeling System (PRMS), to analyze stormwater runoff in Santa Cruz and Northern Monterey Counties, CA with the goal of supplying managed aquifer recharge (MAR) sites. Under the combined threats of multiyear drought and excess drawdown, this region's aquifers face numerous sustainability challenges, including seawater intrusion, chronic overdraft, increased contamination, and subsidence. This study addresses the supply side of this resource issue by increasing our knowledge of the spatial and temporal dynamics of runoff that could provide water for MAR. Ensuring the effectiveness of MAR using stormwater requires a thorough understanding of runoff distribution and site-specific surface and subsurface aquifer conditions. In this study we use a geographic information system (GIS) and a 3-m digital elevation model (DEM) to divide the region's four primary watersheds into Hydrologic Response Units (HRUs), or topographic sub-basins, that serve as discretized input cells for PRMS. We then assign vegetation, soil, land use, slope, aspect, and other characteristics to these HRUs, from a variety of data sources, and analyze runoff spatially using PRMS under varying precipitation conditions. We are exploring methods of linking spatially continuous and high-temporal-resolution precipitation datasets to generate input precipitation catalogs, facilitating analyses of a variety of regimes. To gain an understanding of how surface hydrology has responded to land development, we will also modify our input data to represent pre-development conditions. Coupled with a concurrent MAR suitability analysis, our model results will help screen for locations of future MAR projects and will improve our understanding of how changes in land use and climate impact hydrologic runoff and aquifer recharge.

Hybrid stochastic simplifications for multiscale gene networks.

PubMed

Crudu, Alina; Debussche, Arnaud; Radulescu, Ovidiu

2009-09-07

Stochastic simulation of gene networks by Markov processes has important applications in molecular biology. The complexity of exact simulation algorithms scales with the number of discrete jumps to be performed. Approximate schemes reduce the computational time by reducing the number of simulated discrete events. Also, answering important questions about the relation between network topology and intrinsic noise generation and propagation should be based on general mathematical results. These general results are difficult to obtain for exact models. We propose a unified framework for hybrid simplifications of Markov models of multiscale stochastic gene networks dynamics. We discuss several possible hybrid simplifications, and provide algorithms to obtain them from pure jump processes. In hybrid simplifications, some components are discrete and evolve by jumps, while other components are continuous. Hybrid simplifications are obtained by partial Kramers-Moyal expansion [1-3] which is equivalent to the application of the central limit theorem to a sub-model. By averaging and variable aggregation we drastically reduce simulation time and eliminate non-critical reactions. Hybrid and averaged simplifications can be used for more effective simulation algorithms and for obtaining general design principles relating noise to topology and time scales. The simplified models reproduce with good accuracy the stochastic properties of the gene networks, including waiting times in intermittence phenomena, fluctuation amplitudes and stationary distributions. The methods are illustrated on several gene network examples. Hybrid simplifications can be used for onion-like (multi-layered) approaches to multi-scale biochemical systems, in which various descriptions are used at various scales. Sets of discrete and continuous variables are treated with different methods and are coupled together in a physically justified approach.

A mimetic finite difference method for the Stokes problem with elected edge bubbles

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

Lipnikov, K; Berirao, L

2009-01-01

A new mimetic finite difference method for the Stokes problem is proposed and analyzed. The unstable P{sub 1}-P{sub 0} discretization is stabilized by adding a small number of bubble functions to selected mesh edges. A simple strategy for selecting such edges is proposed and verified with numerical experiments. The discretizations schemes for Stokes and Navier-Stokes equations must satisfy the celebrated inf-sup (or the LBB) stability condition. The stability condition implies a balance between discrete spaces for velocity and pressure. In finite elements, this balance is frequently achieved by adding bubble functions to the velocity space. The goal of this articlemore » is to show that the stabilizing edge bubble functions can be added only to a small set of mesh edges. This results in a smaller algebraic system and potentially in a faster calculations. We employ the mimetic finite difference (MFD) discretization technique that works for general polyhedral meshes and can accomodate non-uniform distribution of stabilizing bubbles.« less

Testing spatial heterogeneity with stock assessment models

PubMed Central

Eero, Margit; Silva, Alexandra; Ulrich, Clara; Pawlowski, Lionel; Holmes, Steven J.; Ibaibarriaga, Leire; De Oliveira, José A. A.; Riveiro, Isabel; Alzorriz, Nekane; Citores, Leire; Scott, Finlay; Uriarte, Andres; Carrera, Pablo; Duhamel, Erwan; Mosqueira, Iago

2018-01-01

This paper describes a methodology that combines meta-population theory and stock assessment models to gain insights about spatial heterogeneity of the meta-population in an operational time frame. The methodology was tested with stochastic simulations for different degrees of connectivity between sub-populations and applied to two case studies, North Sea cod (Gadus morua) and Northeast Atlantic sardine (Sardina pilchardus). Considering that the biological components of a population can be partitioned into discrete spatial units, we extended this idea into a property of additivity of sub-population abundances. If the additivity results hold true for putative sub-populations, then assessment results based on sub-populations will provide information to develop and monitor the implementation of finer scale/local management. The simulation study confirmed that when sub-populations are independent and not too heterogeneous with regards to productivity, the sum of stock assessment model estimates of sub-populations’ SSB is similar to the SSB estimates of the meta-population. It also showed that a strong diffusion process can be detected and that the stronger the connection between SSB and recruitment, the better the diffusion process will be detected. On the other hand it showed that weak to moderate diffusion processes are not easy to identify and large differences between sub-populations productivities may be confounded with weak diffusion processes. The application to North Sea cod and Atlantic sardine exemplified how much insight can be gained. In both cases the results obtained were sufficiently robust to support the regional analysis. PMID:29364901

A dynamic model of the piezoelectric traveling wave rotary ultrasonic motor stator with the finite volume method.

PubMed

Renteria Marquez, I A; Bolborici, V

2017-05-01

This manuscript presents a method to model in detail the piezoelectric traveling wave rotary ultrasonic motor (PTRUSM) stator response under the action of DC and AC voltages. The stator is modeled with a discrete two dimensional system of equations using the finite volume method (FVM). In order to obtain accurate results, a model of the stator bridge is included into the stator model. The model of the stator under the action of DC voltage is presented first, and the results of the model are compared versus a similar model using the commercial finite element software COMSOL Multiphysics. One can observe that there is a difference of less than 5% between the displacements of the stator using the proposed model and the one with COMSOL Multiphysics. After that, the model of the stator under the action of AC voltages is presented. The time domain analysis shows the generation of the traveling wave in the stator surface. One can use this model to accurately calculate the stator surface velocities, elliptical motion of the stator surface and the amplitude and shape of the stator traveling wave. A system of equations discretized with the finite volume method can easily be transformed into electrical circuits, because of that, FVM may be a better choice to develop a model-based control strategy for the PTRUSM. Copyright © 2017 Elsevier B.V. All rights reserved.

Discrete model of gas-free spin combustion of a powder mixture

NASA Astrophysics Data System (ADS)

Klimenok, Kirill L.; Rashkovskiy, Sergey A.

2015-01-01

We propose a discrete model of gas-free combustion of a cylindrical sample which reproduces in detail a spin combustion mode. It is shown that a spin combustion, in its classical sense as a continuous spiral motion of heat release zones on the surface of the sample, does not exist. Such a concept has arisen due to the misinterpretation of the experimental data. This study shows that in fact a spinlike combustion is realized, at which two energy release zones appear on the lateral surface of the sample and propagate circumferentially in the opposite directions. After some time two new heat release zones are formed on the next layer of the cylinder surface and make the same counter-circular motion. This process continues periodically and from a certain angle it looks like a spiral movement of the luminous zone along the lateral surface of the sample. The model shows that on approaching the combustion limit the process becomes more complicated and the spinlike combustion mode shifts to a more complex mode with multiple zones of heat release moving in different directions along the lateral surface. It is shown that the spin combustion mode appears due to asymmetry of initial conditions and always transforms into a layer-by-layer combustion mode with time.

Discrete model of gas-free spin combustion of a powder mixture.

PubMed

Klimenok, Kirill L; Rashkovskiy, Sergey A

2015-01-01

We propose a discrete model of gas-free combustion of a cylindrical sample which reproduces in detail a spin combustion mode. It is shown that a spin combustion, in its classical sense as a continuous spiral motion of heat release zones on the surface of the sample, does not exist. Such a concept has arisen due to the misinterpretation of the experimental data. This study shows that in fact a spinlike combustion is realized, at which two energy release zones appear on the lateral surface of the sample and propagate circumferentially in the opposite directions. After some time two new heat release zones are formed on the next layer of the cylinder surface and make the same counter-circular motion. This process continues periodically and from a certain angle it looks like a spiral movement of the luminous zone along the lateral surface of the sample. The model shows that on approaching the combustion limit the process becomes more complicated and the spinlike combustion mode shifts to a more complex mode with multiple zones of heat release moving in different directions along the lateral surface. It is shown that the spin combustion mode appears due to asymmetry of initial conditions and always transforms into a layer-by-layer combustion mode with time.

Anisotropy of magnetic susceptibility used to detect coring-induced sediment disturbance and filter palaeomagnetic secular variation data: IODP sites M0061 and M0062 (Baltic Sea)

NASA Astrophysics Data System (ADS)

Snowball, Ian; Almqvist, Bjarne; Lougheed, Bryan; Svensson, Anna; Wiers, Steffen; Herrero-Bervera, Emilio

2017-04-01

Inspired by palaeomagnetic data obtained from two sites (M0061 and M0062) cored during IODP Expedition 347 - Baltic Sea Paleoenvironment we studied the Hemsön Alloformation, which is a series of brackish water muds consisting of horizontal planar and parallel laminated (varved) silty clays free from bioturbation. We determined the anisotropy of magnetic susceptibility (AMS) and characteristic remanence (ChRM) directions of a total of 1,102 discrete samples cut from (i) IODP cores recovered by an Advanced Piston corer and (ii) a series of six sediment cores recovered from the same sites by a Kullenberg piston corer. Systematic core splitting, sub-sampling methods and measurements were applied to all sub-samples. We experimentally tested for field-impressed AMS of these muds, in which titanomagnetite carries magnetic remanence and this test was negative. The AMS is likely determined by paramagnetic minerals. As expected for horizontally bedded sediments, the vast majority of the K1 (maximum) and K2 (intermediate) axes had inclinations close to 0 degrees and the AMS shape parameter (T) indicates an oblate fabric. The declinations of the K1 and K2 directions of the sub-samples taken from Kullenberg cores showed a wide distribution around the bedding plane, with no preferred alignment along any specimen axis. Exceptions are samples from the upper 1.5 m of some of these cores, in which the K1 and K2 directions were vertical, the K3 (minimum) axis shallow and T became prolate. We conclude that the Kullenberg corer, which penetrated the top sediments with a pressure of approximately 15 bar, occasionally under-sampled during penetration and vertically stretched the top sediments. Sub-samples from the upper sections of Kullenberg cores had relatively steep ChRM inclinations and we rejected samples that had a prolate, vertically oriented AMS ellipsoid. Surprisingly, the declinations of the K1 axis of all sub-samples taken from IODP APC core sections, which were not oriented relative to each other with respect to azimuth, clustered tightly within the 90-270 degree specimen axis (K2 is within the 0-180 degree axis). This axis is the direction across each cores' split surface (i.e. perpendicular to the "push" direction of the sub-sampling boxes). The APC cores were characterized by various degrees of downwards bending of the planar varves towards the inner surface of the core liner. We conclude that the initial hydraulic pressure applied by the APC, which was consistently above 50 bar during Expedition 347, was needlessly high and created a conical sediment structure and the distinct alignment of the magnetic susceptibility axes along specimen axes. APC core sections with marked disturbances were characterized by ChRM inclinations below 65 degrees, which is a lower limit predicted by time varying geomagnetic field models for the duration of the Hemsö Alloformation (the most recent 6000 years). We rejected samples for palaeomagnetic purposes if the K1 inclination was steeper than 10 degrees. Our study highlights the added value of measuring AMS of discrete sub-samples as an independent control of the suitability of sediments as a source of palaeomagnetic data.

Infrared images target detection based on background modeling in the discrete cosine domain

NASA Astrophysics Data System (ADS)

Ye, Han; Pei, Jihong

2018-02-01

Background modeling is the critical technology to detect the moving target for video surveillance. Most background modeling techniques are aimed at land monitoring and operated in the spatial domain. A background establishment becomes difficult when the scene is a complex fluctuating sea surface. In this paper, the background stability and separability between target are analyzed deeply in the discrete cosine transform (DCT) domain, on this basis, we propose a background modeling method. The proposed method models each frequency point as a single Gaussian model to represent background, and the target is extracted by suppressing the background coefficients. Experimental results show that our approach can establish an accurate background model for seawater, and the detection results outperform other background modeling methods in the spatial domain.

The possibly important role played by Ga{sub 2}O{sub 3} during the activation of GaN photocathode

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

Fu, Xiaoqian, E-mail: ise-fuxq@ujn.edu.cn, E-mail: 214808748@qq.com; Institute of Electronic Engineering and Optoelectronic Technology, Nanjing University of Science and Technology, Nanjing 210094; Wang, Honggang

2015-08-14

Three different chemical solutions are used to remove the possible contamination on GaN surface, while Ga{sub 2}O{sub 3} is still found at the surface. After thermal annealing at 710 °C in the ultrahigh vacuum (UHV) chamber and activated with Cs/O, all the GaN samples are successfully activated to the effective negative electron affinity (NEA) photocathodes. Among all samples, the GaN sample with the highest content of Ga{sub 2}O{sub 3} after chemical cleaning obtains the highest quantum efficiency. By analyzing the property of Ga{sub 2}O{sub 3}, the surface processing results, and electron affinity variations during Cs and Cs/O{sub 2} deposition on GaNmore » of other groups, it is suggested that before the adsorption of Cs, Ga{sub 2}O{sub 3} is not completely removed from GaN surface in our samples, which will combine with Cs and lead to a large decrease in electron affinity. Furthermore, the effective NEA is formed for GaN photocathode, along with the surface downward band bending. Based on this assumption, a new dipole model Ga{sub 2}O{sub 3}-Cs is suggested, and the experimental effects are explained and discussed.« less

Surface Water and Energy Budgets for Sub-Saharan Africa in GFDL Coupled Climate Model

NASA Astrophysics Data System (ADS)

Tian, D.; Wood, E. F.; Vecchi, G. A.; Jia, L.; Pan, M.

2015-12-01

This study compare surface water and energy budget variables from the Geophysical Fluid Dynamics Laboratory (GFDL) FLOR models with the National Centers for Environmental Prediction (NCEP) Climate Forecast System Reanalysis (CFSR), Princeton University Global Meteorological Forcing Dataset (PGF), and PGF-driven Variable Infiltration Capacity (VIC) model outputs, as well as available observations over the sub-Saharan Africa. The comparison was made for four configurations of the FLOR models that included FLOR phase 1 (FLOR-p1) and phase 2 (FLOR-p2) and two phases of flux adjusted versions (FLOR-FA-p1 and FLOR-FA-p2). Compared to p1, simulated atmospheric states in p2 were nudged to the Modern-Era Retrospective Analysis for Research and Applications (MERRA) reanalysis. The seasonal cycle and annual mean of major surface water (precipitation, evapotranspiration, runoff, and change of storage) and energy variables (sensible heat, ground heat, latent heat, net solar radiation, net longwave radiation, and skin temperature) over a 34-yr period during 1981-2014 were compared in different regions in sub-Saharan Africa (West Africa, East Africa, and Southern Africa). In addition to evaluating the means in three sub-regions, empirical orthogonal functions (EOFs) analyses were conducted to compare both spatial and temporal characteristics of water and energy budget variables from four versions of GFDL FLOR, NCEP CFSR, PGF, and VIC outputs. This presentation will show how well each coupled climate model represented land surface physics and reproduced spatiotemporal characteristics of surface water and energy budget variables. We discuss what caused differences in surface water and energy budgets in land surface components of coupled climate model, climate reanalysis, and reanalysis driven land surface model. The comparisons will reveal whether flux adjustment and nudging would improve depiction of the surface water and energy budgets in coupled climate models.

Inhibitory neurons promote robust critical firing dynamics in networks of integrate-and-fire neurons.

PubMed

Lu, Zhixin; Squires, Shane; Ott, Edward; Girvan, Michelle

2016-12-01

We study the firing dynamics of a discrete-state and discrete-time version of an integrate-and-fire neuronal network model with both excitatory and inhibitory neurons. When the integer-valued state of a neuron exceeds a threshold value, the neuron fires, sends out state-changing signals to its connected neurons, and returns to the resting state. In this model, a continuous phase transition from non-ceaseless firing to ceaseless firing is observed. At criticality, power-law distributions of avalanche size and duration with the previously derived exponents, -3/2 and -2, respectively, are observed. Using a mean-field approach, we show analytically how the critical point depends on model parameters. Our main result is that the combined presence of both inhibitory neurons and integrate-and-fire dynamics greatly enhances the robustness of critical power-law behavior (i.e., there is an increased range of parameters, including both sub- and supercritical values, for which several decades of power-law behavior occurs).

On the symmetries of integrability

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

Bellon, M.; Maillard, J.M.; Viallet, C.

1992-06-01

In this paper the authors show that the Yang-Baxter equations for two-dimensional models admit as a group of symmetry the infinite discrete group A{sub 2}{sup (1)}. The existence of this symmetry explains the presence of a spectral parameter in the solutions of the equations. The authors show that similarly, for three-dimensional vertex models and the associated tetrahedron equations, there also exists an infinite discrete group of symmetry. Although generalizing naturally the previous one, it is a much bigger hyperbolic Coxeter group. The authors indicate how this symmetry can help to resolve the Yang-Baxter equations and their higher-dimensional generalizations and initiatemore » the study of three-dimensional vertex models. These symmetries are naturally represented as birational projective transformations. They may preserve non-trivial algebraic varieties, and lead to proper parametrizations of the models, be they integrable or not. The authors mention the relation existing between spin models and the Bose-Messner algebras of algebraic combinatorics. The authors' results also yield the generalization of the condition q{sup n} = 1 so often mentioned in the theory of quantum groups, when no q parameter is available.« less

Permeability and kinetic coefficients for mesoscale BCF surface step dynamics: Discrete two-dimensional deposition-diffusion equation analysis

DOE PAGES

Zhao, Renjie; Evans, James W.; Oliveira, Tiago J.

2016-04-08

Here, a discrete version of deposition-diffusion equations appropriate for description of step flow on a vicinal surface is analyzed for a two-dimensional grid of adsorption sites representing the stepped surface and explicitly incorporating kinks along the step edges. Model energetics and kinetics appropriately account for binding of adatoms at steps and kinks, distinct terrace and edge diffusion rates, and possible additional barriers for attachment to steps. Analysis of adatom attachment fluxes as well as limiting values of adatom densities at step edges for nonuniform deposition scenarios allows determination of both permeability and kinetic coefficients. Behavior of these quantities is assessedmore » as a function of key system parameters including kink density, step attachment barriers, and the step edge diffusion rate.« less

Permeability and kinetic coefficients for mesoscale BCF surface step dynamics: Discrete two-dimensional deposition-diffusion equation analysis

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

Zhao, Renjie; Evans, James W.; Oliveira, Tiago J.

Here, a discrete version of deposition-diffusion equations appropriate for description of step flow on a vicinal surface is analyzed for a two-dimensional grid of adsorption sites representing the stepped surface and explicitly incorporating kinks along the step edges. Model energetics and kinetics appropriately account for binding of adatoms at steps and kinks, distinct terrace and edge diffusion rates, and possible additional barriers for attachment to steps. Analysis of adatom attachment fluxes as well as limiting values of adatom densities at step edges for nonuniform deposition scenarios allows determination of both permeability and kinetic coefficients. Behavior of these quantities is assessedmore » as a function of key system parameters including kink density, step attachment barriers, and the step edge diffusion rate.« less

Determining Trajectory of Triboelectrically Charged Particles, Using Discrete Element Modeling

NASA Technical Reports Server (NTRS)

2008-01-01

The Kennedy Space Center (KSC) Electrostatics and Surface Physics Laboratory is participating in an Innovative Partnership Program (IPP) project with an industry partner to modify a commercial off-the-shelf simulation software product to treat the electrodynamics of particulate systems. Discrete element modeling (DEM) is a numerical technique that can track the dynamics of particle systems. This technique, which was introduced in 1979 for analysis of rock mechanics, was recently refined to include the contact force interaction of particles with arbitrary surfaces and moving machinery. In our work, we endeavor to incorporate electrostatic forces into the DEM calculations to enhance the fidelity of the software and its applicability to (1) particle processes, such as electrophotography, that are greatly affected by electrostatic forces, (2) grain and dust transport, and (3) the study of lunar and Martian regoliths.

Differential porosimetry and permeametry for random porous media.

PubMed

Hilfer, R; Lemmer, A

2015-07-01

Accurate determination of geometrical and physical properties of natural porous materials is notoriously difficult. Continuum multiscale modeling has provided carefully calibrated realistic microstructure models of reservoir rocks with floating point accuracy. Previous measurements using synthetic microcomputed tomography (μ-CT) were based on extrapolation of resolution-dependent properties for discrete digitized approximations of the continuum microstructure. This paper reports continuum measurements of volume and specific surface with full floating point precision. It also corrects an incomplete description of rotations in earlier publications. More importantly, the methods of differential permeametry and differential porosimetry are introduced as precision tools. The continuum microstructure chosen to exemplify the methods is a homogeneous, carefully calibrated and characterized model for Fontainebleau sandstone. The sample has been publicly available since 2010 on the worldwide web as a benchmark for methodical studies of correlated random media. High-precision porosimetry gives the volume and internal surface area of the sample with floating point accuracy. Continuum results with floating point precision are compared to discrete approximations. Differential porosities and differential surface area densities allow geometrical fluctuations to be discriminated from discretization effects and numerical noise. Differential porosimetry and Fourier analysis reveal subtle periodic correlations. The findings uncover small oscillatory correlations with a period of roughly 850μm, thus implying that the sample is not strictly stationary. The correlations are attributed to the deposition algorithm that was used to ensure the grain overlap constraint. Differential permeabilities are introduced and studied. Differential porosities and permeabilities provide scale-dependent information on geometry fluctuations, thereby allowing quantitative error estimates.

Surface structural ion adsorption modeling of competitive binding of oxyanions by metal (hydr)oxides

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

Hiemstra, T.; Riemsdijk, W.H. van

1999-02-01

An important challenge in surface complexation models (SCM) is to connect the molecular microscopic reality to macroscopic adsorption phenomena. This study elucidates the primary factor controlling the adsorption process by analyzing the adsorption and competition of PO{sub 4}, AsO{sub 4}, and SeO{sub 3}. The authors show that the structure of the surface-complex acting in the dominant electrostatic field can be ascertained as the primary controlling adsorption factor. The surface species of arsenate are identical with those of phosphate and the adsorption behavior is very similar. On the basis of the selenite adsorption, The authors show that the commonly used 1pKmore » models are incapable to incorporate in the adsorption modeling the correct bidentate binding mechanism found by spectroscopy. The use of the bidentate mechanism leads to a proton-oxyanion ratio and corresponding pH dependence that are too large. The inappropriate intrinsic charge attribution to the primary surface groups and the condensation of the inner sphere surface complex to a point charge are responsible for this behavior of commonly used 2pK models. Both key factors are differently defined in the charge distributed multi-site complexation (CD-MUSIC) model and are based in this model on a surface structural approach. The CD-MUSIC model can successfully describe the macroscopic adsorption phenomena using the surface speciation and binding mechanisms as found by spectroscopy. The model is also able to predict the anion competition well. The charge distribution in the interface is in agreement with the observed structure of surface complexes.« less

Geochemical Analyses of Surface and Shallow Gas Flux and Composition Over a Proposed Carbon Sequestration Site in Eastern Kentucky

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

Thomas Parris; Michael Solis; Kathryn Takacs

2009-12-31

Using soil gas chemistry to detect leakage from underground reservoirs (i.e. microseepage) requires that the natural range of soil gas flux and chemistry be fully characterized. To meet this need, soil gas flux (CO{sub 2}, CH{sub 4}) and the bulk (CO{sub 2}, CH{sub 4}) and isotopic chemistry ({delta}{sup 13}C-CO2) of shallow soil gases (<1 m, 3.3 ft) were measured at 25 locations distributed among two active oil and gas fields, an active strip mine, and a relatively undisturbed research forest in eastern Kentucky. The measurements apportion the biologic, atmospheric, and geologic influences on soil gas composition under varying degrees ofmore » human surface disturbance. The measurements also highlight potential challenges in using soil gas chemistry as a monitoring tool where the surface cover consists of reclaimed mine land or is underlain by shallow coals. For example, enrichment of ({delta}{sup 13}C-CO2) and high CH{sub 4} concentrations in soils have been historically used as indicators of microseepage, but in the reclaimed mine lands similar soil chemistry characteristics likely result from dissolution of carbonate cement in siliciclastic clasts having {delta}{sup 13}C values close to 0{per_thousand} and degassing of coal fragments. The gases accumulate in the reclaimed mine land soils because intense compaction reduces soil permeability, thereby impeding equilibration with the atmosphere. Consequently, the reclaimed mine lands provide a false microseepage anomaly. Further potential challenges arise from low permeability zones associated with compacted soils in reclaimed mine lands and shallow coals in undisturbed areas that might impede upward gas migration. To investigate the effect of these materials on gas migration and composition, four 10 m (33 ft) deep monitoring wells were drilled in reclaimed mine material and in undisturbed soils with and without coals. The wells, configured with sampling zones at discrete intervals, show the persistence of some of the aforementioned anomalies at depth. Moreover, high CO{sub 2} concentrations associated with coals in the vadose zone suggest a strong affinity for adsorbing CO{sub 2}. Overall, the low permeability of reclaimed mine lands and coals and CO2 adsorption by the latter is likely to reduce the ability of surface geochemistry tools to detect a microseepage signal.« less

Determination of the diffusion coefficient and phase-transfer rate parameter in LaNi{sub 5} and MmNi{sub 3.6}Co{sub 0.8}Mn{sub 0.4}Al{sub 0.3} using microelectrodes

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

Lundqvist, A.; Lindbergh, G.

1998-11-01

A potential-step method for determining the diffusion coefficient and phase-transfer parameter in metal hydrides by using microelectrodes was investigated. It was shown that a large potential step is not enough to ensure a completely diffusion-limited mass transfer if a surface-phase transfer reaction takes place at a finite rate. It was shown, using a kinetic expression for the surface phase-transfer reaction, that the slope of the logarithm of the current vs. time curve will be constant both in the case of the mass-transfer limited by diffusion or by diffusion and a surface-phase transfer. The diffusion coefficient and phase-transfer rate parameter weremore » accurately determined for MmNi{sub 3.6}Co{sub 0.8}Mn{sub 0.4}Al{sub 0.3} using a fit to the whole transient. The diffusion coefficient was found to be (1.3 {+-} 0.3) {times} 10{sup {minus}13} m{sup 2}/s. The fit was good and showed that a pure diffusion model was not enough to explain the observed transient. The diffusion coefficient and phase-transfer rate parameter were also estimated for pure LaNi{sub 5}. A fit of the whole curve showed that neither a pure diffusion model nor a model including phase transfer could explain the whole transient.« less

Bioaccessibility Of Lead Sequestered To Corundum and Ferrihydrite In A Simulated Gastrointestinal System

EPA Science Inventory

Lead (Pb) sorption onto oxide surfaces in soils may strongly influence the risk posed from incidental ingestion of Pb-contaminated soil. Lead was sorbed to model oxide minerals of corundum (α-Al₂O₃) and ferrihydrite (Fe₅HO₈•4H₂

A model for the estimation of the surface fluxes of momentum, heat and moisture of the cloud topped marine atmospheric boundary layer from satellite measurable parameters. M.S. Thesis

NASA Technical Reports Server (NTRS)

Allison, D. E.

1984-01-01

A model is developed for the estimation of the surface fluxes of momentum, heat, and moisture of the cloud topped marine atmospheric boundary layer by use of satellite remotely sensed parameters. The parameters chosen for the problem are the integrated liquid water content, q sub li, the integrated water vapor content, q sub vi, the cloud top temperature, and either a measure of the 10 meter neutral wind speed or the friction velocity at the surface. Under the assumption of a horizontally homogeneous, well-mixed boundary layer, the model calculates the equivalent potential temperature and total water profiles of the boundary layer along with the boundary layer height from inputs of q sub li, q sub vi, and cloud top temperature. These values, along with the 10m neutral wind speed or friction velocity and the sea surface temperature are then used to estimate the surface fluxes. The development of a scheme to parameterize the integrated water vapor outside of the boundary layer for the cases of cold air outbreak and California coastal stratus is presented.

A multi-resolution approach to electromagnetic modelling

NASA Astrophysics Data System (ADS)

Cherevatova, M.; Egbert, G. D.; Smirnov, M. Yu

2018-07-01

We present a multi-resolution approach for 3-D magnetotelluric forward modelling. Our approach is motivated by the fact that fine-grid resolution is typically required at shallow levels to adequately represent near surface inhomogeneities, topography and bathymetry, while a much coarser grid may be adequate at depth where the diffusively propagating electromagnetic fields are much smoother. With a conventional structured finite difference grid, the fine discretization required to adequately represent rapid variations near the surface is continued to all depths, resulting in higher computational costs. Increasing the computational efficiency of the forward modelling is especially important for solving regularized inversion problems. We implement a multi-resolution finite difference scheme that allows us to decrease the horizontal grid resolution with depth, as is done with vertical discretization. In our implementation, the multi-resolution grid is represented as a vertical stack of subgrids, with each subgrid being a standard Cartesian tensor product staggered grid. Thus, our approach is similar to the octree discretization previously used for electromagnetic modelling, but simpler in that we allow refinement only with depth. The major difficulty arose in deriving the forward modelling operators on interfaces between adjacent subgrids. We considered three ways of handling the interface layers and suggest a preferable one, which results in similar accuracy as the staggered grid solution, while retaining the symmetry of coefficient matrix. A comparison between multi-resolution and staggered solvers for various models shows that multi-resolution approach improves on computational efficiency without compromising the accuracy of the solution.

The first potential energy surfaces for the C{sub 6}H{sup −}–H{sub 2} and C{sub 6}H{sup −}–He collisional systems and their corresponding inelastic cross sections

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

Walker, Kyle M., E-mail: kyle.walker@univ-lehavre.fr; Dumouchel, Fabien, E-mail: fabien.dumouchel@univ-lehavre.fr; Lique, François, E-mail: francois.lique@univ-lehavre.fr

2016-07-14

Molecular anions have recently been detected in the interstellar and circumstellar media. Accurate modeling of their abundance requires calculations of collisional data with the most abundant species that are usually He atoms and H{sub 2} molecules. In this paper, we focus on the collisional excitation of the first observed molecular anion, C{sub 6}H{sup −}, by He and H{sub 2}. Theoretical calculations of collisional cross sections rely generally on ab initio interaction potential energy surfaces (PESs). Hence, we present here the first PESs for the C{sub 6}H{sup −}–H{sub 2} and C{sub 6}H{sup −}–He van der Waals systems. The ab initio energymore » data for the surfaces were computed at the explicitly correlated coupled cluster with single, double, and scaled perturbative triple excitations level of theory. The method of interpolating moving least squares was used to construct 4D and 2D analytical PESs from these data. Both surfaces are characterized by deep wells and large anisotropies. Analytical models of the PESs were used in scattering calculations to obtain cross sections for low-lying rotational transitions. As could have been anticipated, important differences exist between the He and H{sub 2} cross sections. Conversely, no significant differences exist between the collisions of C{sub 6}H{sup −} with the two species of H{sub 2} (para- and ortho-H{sub 2}). We expect that these new data will help in accurately determining the abundance of the C{sub 6}H{sup −} anions in space.« less

Global Clear-Sky Surface Skin Temperature from Multiple Satellites Using a Single-Channel Algorithm with Angular Anisotropy Corrections

NASA Technical Reports Server (NTRS)

Scarino, Benjamin R.; Minnis, Patrick; Chee, Thad; Bedka, Kristopher M.; Yost, Christopher R.; Palikonda, Rabindra

2017-01-01

Surface skin temperature (T(sub s)) is an important parameter for characterizing the energy exchange at the ground/water-atmosphere interface. The Satellite ClOud and Radiation Property retrieval System (SatCORPS) employs a single-channel thermal-infrared (TIR) method to retrieve T(sub s) over clear-sky land and ocean surfaces from data taken by geostationary Earth orbit (GEO) and low Earth orbit (LEO) satellite imagers. GEO satellites can provide somewhat continuous estimates of T(sub s) over the diurnal cycle in non-polar regions, while polar T(sub s) retrievals from LEO imagers, such as the Advanced Very High Resolution Radiometer (AVHRR), can complement the GEO measurements. The combined global coverage of remotely sensed T(sub s), along with accompanying cloud and surface radiation parameters, produced in near-realtime and from historical satellite data, should be beneficial for both weather and climate applications. For example, near-realtime hourly T(sub s) observations can be assimilated in high-temporal-resolution numerical weather prediction models and historical observations can be used for validation or assimilation of climate models. Key drawbacks to the utility of TIR-derived T(sub s) data include the limitation to clear-sky conditions, the reliance on a particular set of analyses/reanalyses necessary for atmospheric corrections, and the dependence on viewing and illumination angles. Therefore, T(sub s) validation with established references is essential, as is proper evaluation of T(sub s) sensitivity to atmospheric correction source. This article presents improvements on the NASA Langley GEO satellite and AVHRR TIR-based T(sub s) product that is derived using a single-channel technique. The resulting clear-sky skin temperature values are validated with surface references and independent satellite products. Furthermore, an empirically adjusted theoretical model of satellite land surface temperature (LST) angular anisotropy is tested to improve satellite LST retrievals. Application of the anisotropic correction yields reduced mean bias and improved precision of GOES-13 LST relative to independent Moderate-resolution Imaging Spectroradiometer (MYD11_L2) LST and Atmospheric Radiation Measurement Program ground station measurements. It also significantly reduces inter-satellite differences between LSTs retrieved simultaneously from two different imagers. The implementation of these universal corrections into the SatCORPS product can yield significant improvement in near-global-scale, near-realtime, satellite-based LST measurements. The immediate availability and broad coverage of these skin temperature observations should prove valuable to modelers and climate researchers looking for improved forecasts and better understanding of the global climate model.

LEED-IV study of the rutile TiO{sub 2}(110)-1x2 surface with a Ti-interstitial added-row reconstruction

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

Blanco-Rey, M.; Mendez, J.; Lopez, M. F.

2007-02-15

Upon sputtering and annealing in UHV at {approx}1000 K, the rutile TiO{sub 2}(110) surface undergoes a 1x1{yields}1x2 phase transition. The resulting 1x2 surface is Ti rich, formed by strands of double Ti rows as seen on scanning tunneling microscopic images, but its detailed structure and composition have been subject to debate in the literature for years. Recently, Park et al. [Phys. Rev. Lett. 96, 226105 (2006)] have proposed a model where Ti atoms are located on interstitial sites with Ti{sub 2}O stoichiometry. This model, when it is analyzed using LEED-IV data [Phys. Rev. Lett. 96, 0055502 (2006)], does not yieldmore » an agreement between theory and experiment as good as the previous best fit for Onishi and Iwasawa's model for the long-range 1x2 reconstruction. Therefore, the Ti{sub 2}O{sub 3} added row is the preferred one from the point of view low-energy electron diffraction.« less

COMPARISON OF CORONAL EXTRAPOLATION METHODS FOR CYCLE 24 USING HMI DATA

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

Arden, William M.; Norton, Aimee A.; Sun, Xudong

2016-05-20

Two extrapolation models of the solar coronal magnetic field are compared using magnetogram data from the Solar Dynamics Observatory /Helioseismic and Magnetic Imager instrument. The two models, a horizontal current–current sheet–source surface (HCCSSS) model and a potential field–source surface (PFSS) model, differ in their treatment of coronal currents. Each model has its own critical variable, respectively, the radius of a cusp surface and a source surface, and it is found that adjusting these heights over the period studied allows for a better fit between the models and the solar open flux at 1 au as calculated from the Interplanetary Magneticmore » Field (IMF). The HCCSSS model provides the better fit for the overall period from 2010 November to 2015 May as well as for two subsets of the period: the minimum/rising part of the solar cycle and the recently identified peak in the IMF from mid-2014 to mid-2015 just after solar maximum. It is found that an HCCSSS cusp surface height of 1.7 R {sub ⊙} provides the best fit to the IMF for the overall period, while 1.7 and 1.9 R {sub ⊙} give the best fits for the two subsets. The corresponding values for the PFSS source surface height are 2.1, 2.2, and 2.0 R {sub ⊙} respectively. This means that the HCCSSS cusp surface rises as the solar cycle progresses while the PFSS source surface falls.« less

Analytical modeling of conformal mantle cloaks for cylindrical objects using sub-wavelength printed and slotted arrays

NASA Astrophysics Data System (ADS)

Padooru, Yashwanth R.; Yakovlev, Alexander B.; Chen, Pai-Yen; Alù, Andrea

2012-08-01

Following the idea of "cloaking by a surface" [A. Alù, Phys. Rev. B 80, 245115 (2009); P. Y. Chen and A. Alù, Phys. Rev. B 84, 205110 (2011)], we present a rigorous analytical model applicable to mantle cloaking of cylindrical objects using 1D and 2D sub-wavelength conformal frequency selective surface (FSS) elements. The model is based on Lorenz-Mie scattering theory which utilizes the two-sided impedance boundary conditions at the interface of the sub-wavelength elements. The FSS arrays considered in this work are composed of 1D horizontal and vertical metallic strips and 2D printed (patches, Jerusalem crosses, and cross dipoles) and slotted structures (meshes, slot-Jerusalem crosses, and slot-cross dipoles). It is shown that the analytical grid-impedance expressions derived for the planar arrays of sub-wavelength elements may be successfully used to model and tailor the surface reactance of cylindrical conformal mantle cloaks. By properly tailoring the surface reactance of the cloak, the total scattering from the cylinder can be significantly reduced, thus rendering the object invisible over the range of frequencies of interest (i.e., at microwaves and far-infrared). The results obtained using our analytical model for mantle cloaks are validated against full-wave numerical simulations.

Two-dimensional symmetry-protected topological orders and their protected gapless edge excitations

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

Chen Xie; Liu Zhengxin; Wen Xiaogang

2011-12-15

Topological insulators in free fermion systems have been well characterized and classified. However, it is not clear in strongly interacting boson or fermion systems what symmetry-protected topological orders exist. In this paper, we present a model in a two-dimensional (2D) interacting spin system with nontrivial onsite Z{sub 2} symmetry-protected topological order. The order is nontrivial because we can prove that the one-dimensional (1D) system on the boundary must be gapless if the symmetry is not broken, which generalizes the gaplessness of Wess-Zumino-Witten model for Lie symmetry groups to any discrete symmetry groups. The construction of this model is related tomore » a nontrivial 3-cocycle of the Z{sub 2} group and can be generalized to any symmetry group. It potentially leads to a complete classification of symmetry-protected topological orders in interacting boson and fermion systems of any dimension. Specifically, this exactly solvable model has a unique gapped ground state on any closed manifold and gapless excitations on the boundary if Z{sub 2} symmetry is not broken. We prove the latter by developing the tool of a matrix product unitary operator to study the nonlocal symmetry transformation on the boundary and reveal the nontrivial 3-cocycle structure of this transformation. Similar ideas are used to construct a 2D fermionic model with onsite Z{sub 2} symmetry-protected topological order.« less

A multi-band, multi-level, multi-electron model for efficient FDTD simulations of electromagnetic interactions with semiconductor quantum wells

NASA Astrophysics Data System (ADS)

Ravi, Koustuban; Wang, Qian; Ho, Seng-Tiong

2015-08-01

We report a new computational model for simulations of electromagnetic interactions with semiconductor quantum well(s) (SQW) in complex electromagnetic geometries using the finite-difference time-domain method. The presented model is based on an approach of spanning a large number of electron transverse momentum states in each SQW sub-band (multi-band) with a small number of discrete multi-electron states (multi-level, multi-electron). This enables accurate and efficient two-dimensional (2-D) and three-dimensional (3-D) simulations of nanophotonic devices with SQW active media. The model includes the following features: (1) Optically induced interband transitions between various SQW conduction and heavy-hole or light-hole sub-bands are considered. (2) Novel intra sub-band and inter sub-band transition terms are derived to thermalize the electron and hole occupational distributions to the correct Fermi-Dirac distributions. (3) The terms in (2) result in an explicit update scheme which circumvents numerically cumbersome iterative procedures. This significantly augments computational efficiency. (4) Explicit update terms to account for carrier leakage to unconfined states are derived, which thermalize the bulk and SQW populations to a common quasi-equilibrium Fermi-Dirac distribution. (5) Auger recombination and intervalence band absorption are included. The model is validated by comparisons to analytic band-filling calculations, simulations of SQW optical gain spectra, and photonic crystal lasers.

Effect of Fermi surface nesting on resonant spin excitations in Ba{<_1-x}K{<_x}Fe{<_2}As{<_2}.

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

Castellan, J.-P.; Rosenkranz, S.; Goremychkin, E.A.

2011-01-01

We report inelastic neutron scattering measurements of the resonant spin excitations in Ba{sub 1-x}K{sub x}Fe{sub 2}As{sub 2} over a broad range of electron band filling. The fall in the superconducting transition temperature with hole doping coincides with the magnetic excitations splitting into two incommensurate peaks because of the growing mismatch in the hole and electron Fermi surface volumes, as confirmed by a tight-binding model with s{sub {+-}}-symmetry pairing. The reduction in Fermi surface nesting is accompanied by a collapse of the resonance binding energy and its spectral weight, caused by the weakening of electron-electron correlations.

Modelling of Surfaces. Part 2: Metallic Alloy Surfaces Using the BFS Method

NASA Technical Reports Server (NTRS)

Bozzolo, Guillermo; Ferrante, John; Kobistek, Robert J.

1994-01-01

Using BFS, a new semiempirical method for alloys, we study the surface structure of fcc ordered binary alloys. We concentrate on the calculation of surface energies and surface relaxations for the L1(sub 0) and L1(sub 2) ordered structures. Different terminations of the low-index faces are studied. Also, we present results for the interlayer relaxations for planes close to the surface, revealing different relaxations for atoms of different species producing a rippled surface layer.

Ion association at discretely-charged dielectric interfaces: Giant charge inversion [Dielectric response controlled ion association at physically heterogeneous surfaces: Giant charge reversal

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

Wang, Zhi -Yong; Wu, Jianzhong

2017-07-11

Giant charge reversal has been identified for the first time by Monte Carlo simulation for a discretely charged surface in contact with a trivalent electrolyte solution. It takes place regardless of the surface charge density under study and the monovalent salt. In stark contrast to earlier predictions based on the 2-dimensional Wigner crystal model to describe strong correlation of counterions at the macroion surface, we find that giant charge reversal reflects an intricate interplay of ionic volume effects, electrostatic correlations, surface charge heterogeneity, and the dielectric response of the confined fluids. While the novel phenomenon is yet to be confirmedmore » with experiment, the simulation results appear in excellent agreement with a wide range of existing observations in the subregime of charge inversion. Lastly, our findings may have far-reaching implications to understanding complex electrochemical phenomena entailing ionic fluids under dielectric confinements.« less

Estimation of Surface Air Temperature Over Central and Eastern Eurasia from MODIS Land Surface Temperature

NASA Technical Reports Server (NTRS)

Shen, Suhung; Leptoukh, Gregory G.

2011-01-01

Surface air temperature (T(sub a)) is a critical variable in the energy and water cycle of the Earth.atmosphere system and is a key input element for hydrology and land surface models. This is a preliminary study to evaluate estimation of T(sub a) from satellite remotely sensed land surface temperature (T(sub s)) by using MODIS-Terra data over two Eurasia regions: northern China and fUSSR. High correlations are observed in both regions between station-measured T(sub a) and MODIS T(sub s). The relationships between the maximum T(sub a) and daytime T(sub s) depend significantly on land cover types, but the minimum T(sub a) and nighttime T(sub s) have little dependence on the land cover types. The largest difference between maximum T(sub a) and daytime T(sub s) appears over the barren and sparsely vegetated area during the summer time. Using a linear regression method, the daily maximum T(sub a) were estimated from 1 km resolution MODIS T(sub s) under clear-sky conditions with coefficients calculated based on land cover types, while the minimum T(sub a) were estimated without considering land cover types. The uncertainty, mean absolute error (MAE), of the estimated maximum T(sub a) varies from 2.4 C over closed shrublands to 3.2 C over grasslands, and the MAE of the estimated minimum Ta is about 3.0 C.

Lung ventilation injures areas with discrete alveolar flooding, in a surface tension-dependent fashion.

PubMed

Wu, You; Kharge, Angana Banerjee; Perlman, Carrie E

2014-10-01

With proteinaceous-liquid flooding of discrete alveoli, a model of the edema pattern in the acute respiratory distress syndrome, lung inflation over expands aerated alveoli adjacent to flooded alveoli. Theoretical considerations suggest that the overexpansion may be proportional to surface tension, T. Yet recent evidence indicates proteinaceous edema liquid may not elevate T. Thus whether the overexpansion is injurious is not known. Here, working in the isolated, perfused rat lung, we quantify fluorescence movement from the vasculature to the alveolar liquid phase as a measure of overdistension injury to the alveolar-capillary barrier. We label the perfusate with fluorescence; micropuncture a surface alveolus and instill a controlled volume of nonfluorescent liquid to obtain a micropunctured-but-aerated region (control group) or a region with discrete alveolar flooding; image the region at a constant transpulmonary pressure of 5 cmH2O; apply five ventilation cycles with a positive end-expiratory pressure of 0-20 cmH2O and tidal volume of 6 or 12 ml/kg; return the lung to a constant transpulmonary pressure of 5 cmH2O; and image for an additional 10 min. In aerated areas, ventilation is not injurious. With discrete alveolar flooding, all ventilation protocols cause sustained injury. Greater positive end-expiratory pressure or tidal volume increases injury. Furthermore, we determine T and find injury increases with T. Inclusion of either plasma proteins or Survanta in the flooding liquid does not alter T or injury. Inclusion of 2.7-10% albumin and 1% Survanta together, however, lowers T and injury. Contrary to expectation, albumin inclusion in our model facilitates exogenous surfactant activity. Copyright © 2014 the American Physiological Society.

Lung ventilation injures areas with discrete alveolar flooding, in a surface tension-dependent fashion

PubMed Central

Wu (吴右), You; Kharge, Angana Banerjee

2014-01-01

With proteinaceous-liquid flooding of discrete alveoli, a model of the edema pattern in the acute respiratory distress syndrome, lung inflation over expands aerated alveoli adjacent to flooded alveoli. Theoretical considerations suggest that the overexpansion may be proportional to surface tension, T. Yet recent evidence indicates proteinaceous edema liquid may not elevate T. Thus whether the overexpansion is injurious is not known. Here, working in the isolated, perfused rat lung, we quantify fluorescence movement from the vasculature to the alveolar liquid phase as a measure of overdistension injury to the alveolar-capillary barrier. We label the perfusate with fluorescence; micropuncture a surface alveolus and instill a controlled volume of nonfluorescent liquid to obtain a micropunctured-but-aerated region (control group) or a region with discrete alveolar flooding; image the region at a constant transpulmonary pressure of 5 cmH2O; apply five ventilation cycles with a positive end-expiratory pressure of 0–20 cmH2O and tidal volume of 6 or 12 ml/kg; return the lung to a constant transpulmonary pressure of 5 cmH2O; and image for an additional 10 min. In aerated areas, ventilation is not injurious. With discrete alveolar flooding, all ventilation protocols cause sustained injury. Greater positive end-expiratory pressure or tidal volume increases injury. Furthermore, we determine T and find injury increases with T. Inclusion of either plasma proteins or Survanta in the flooding liquid does not alter T or injury. Inclusion of 2.7–10% albumin and 1% Survanta together, however, lowers T and injury. Contrary to expectation, albumin inclusion in our model facilitates exogenous surfactant activity. PMID:25080924

Atmospheric effects on radiometry from zenith of a plane with dark vertical protrusions

NASA Technical Reports Server (NTRS)

Otterman, J.

1983-01-01

Effects of an optically thin plane-parallel scattering atmosphere on radiometric imaging from the zenith of a specific surface-type are analyzed. The surface model was previously developed to describe arid steppe, where the sparse vegetation forms dark vertical protrusions from the bright soil-plane. The analysis is in terms of the surface reflectivity to the zenith r sub p for the direct beam, which is formulated as r sub p = r sub i exp (-s tan theta sub 0), where v sub i is the Lambert law reflectivity of the soil, the protrusions parameters s is the projection on a vertical plane of protrusions per unit area and theta sub 0 is the zenith angle. The surface reflectivity r sub p is approximately equal to that for the global irradiance (which is directly measured in the field) only for a narrow range of the solar zenith angles. The effects of the atmosphere when imaging large uniform areas of this type are comparable to those in imaging a Lambert surface with a reflectivity r sub p. Thus, the effects can be approximated by those in the case of a dark Lambert surface (analyzed previously), inasmuch as r sub p is smaller than the soil reflectivity r sub i for any off-zenith illumination. The surface becomes effectively darker with increasing solar zenith angle. Adjacency effects of a reflection from one area and scattering in the instantaneous field of view (object pixel) are analyzed as cross radiance and cross irradiance.

An extended soft-cube model for the thermal accommodation of gas atoms on solid surfaces

NASA Technical Reports Server (NTRS)

Burke, J. R.; Hollenbach, D. J.

1980-01-01

A numerical soft cube model was developed for calculating thermal accommodation coefficients alpha and trapping fractions f sub t for the interaction of gases incident upon solid surfaces. A semiempirical correction factor c which allows the calculation of alpha and f sub t when the collision times are long compared to the surface oscillator period were introduced. The processes of trapping, evaporation, and detailed balancing were discussed. The numerical method was designed to treat economically and with moderate (+ or - 20 percent) accuracy the dependence of alpha and f sub t on finite and different surface and gas temperatures for a large number of gas/surface combinations. Comparison was made with experiments of rare gases on tungsten and on alkalis, as well as one astrophysical case of H2 on graphite. The dependence of alpha on the soft cube dimensionless parameters is presented graphically.

Enhancing of catalytic properties of vanadia via surface doping with phosphorus using atomic layer deposition

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

Strempel, Verena E.; Naumann d'Alnoncourt, Raoul, E-mail: r.naumann@bascat.tu-berlin.de; Löffler, Daniel

2016-01-15

Atomic layer deposition is mainly used to deposit thin films on flat substrates. Here, the authors deposit a submonolayer of phosphorus on V{sub 2}O{sub 5} in the form of catalyst powder. The goal is to prepare a model catalyst related to the vanadyl pyrophosphate catalyst (VO){sub 2}P{sub 2}O{sub 7} industrially used for the oxidation of n-butane to maleic anhydride. The oxidation state of vanadium in vanadyl pyrophosphate is 4+. In literature, it was shown that the surface of vanadyl pyrophosphate contains V{sup 5+} and is enriched in phosphorus under reaction conditions. On account of this, V{sub 2}O{sub 5} with themore » oxidation state of 5+ for vanadium partially covered with phosphorus can be regarded as a suitable model catalyst. The catalytic performance of the model catalyst prepared via atomic layer deposition was measured and compared to the performance of catalysts prepared via incipient wetness impregnation and the original V{sub 2}O{sub 5} substrate. It could be clearly shown that the dedicated deposition of phosphorus by atomic layer deposition enhances the catalytic performance of V{sub 2}O{sub 5} by suppression of total oxidation reactions, thereby increasing the selectivity to maleic anhydride.« less

Hybrid stochastic simplifications for multiscale gene networks

PubMed Central

Crudu, Alina; Debussche, Arnaud; Radulescu, Ovidiu

2009-01-01

Background Stochastic simulation of gene networks by Markov processes has important applications in molecular biology. The complexity of exact simulation algorithms scales with the number of discrete jumps to be performed. Approximate schemes reduce the computational time by reducing the number of simulated discrete events. Also, answering important questions about the relation between network topology and intrinsic noise generation and propagation should be based on general mathematical results. These general results are difficult to obtain for exact models. Results We propose a unified framework for hybrid simplifications of Markov models of multiscale stochastic gene networks dynamics. We discuss several possible hybrid simplifications, and provide algorithms to obtain them from pure jump processes. In hybrid simplifications, some components are discrete and evolve by jumps, while other components are continuous. Hybrid simplifications are obtained by partial Kramers-Moyal expansion [1-3] which is equivalent to the application of the central limit theorem to a sub-model. By averaging and variable aggregation we drastically reduce simulation time and eliminate non-critical reactions. Hybrid and averaged simplifications can be used for more effective simulation algorithms and for obtaining general design principles relating noise to topology and time scales. The simplified models reproduce with good accuracy the stochastic properties of the gene networks, including waiting times in intermittence phenomena, fluctuation amplitudes and stationary distributions. The methods are illustrated on several gene network examples. Conclusion Hybrid simplifications can be used for onion-like (multi-layered) approaches to multi-scale biochemical systems, in which various descriptions are used at various scales. Sets of discrete and continuous variables are treated with different methods and are coupled together in a physically justified approach. PMID:19735554

Radial artery pulse waveform analysis based on curve fitting using discrete Fourier series.

PubMed

Jiang, Zhixing; Zhang, David; Lu, Guangming

2018-04-19

Radial artery pulse diagnosis has been playing an important role in traditional Chinese medicine (TCM). For its non-invasion and convenience, the pulse diagnosis has great significance in diseases analysis of modern medicine. The practitioners sense the pulse waveforms in patients' wrist to make diagnoses based on their non-objective personal experience. With the researches of pulse acquisition platforms and computerized analysis methods, the objective study on pulse diagnosis can help the TCM to keep up with the development of modern medicine. In this paper, we propose a new method to extract feature from pulse waveform based on discrete Fourier series (DFS). It regards the waveform as one kind of signal that consists of a series of sub-components represented by sine and cosine (SC) signals with different frequencies and amplitudes. After the pulse signals are collected and preprocessed, we fit the average waveform for each sample using discrete Fourier series by least squares. The feature vector is comprised by the coefficients of discrete Fourier series function. Compared with the fitting method using Gaussian mixture function, the fitting errors of proposed method are smaller, which indicate that our method can represent the original signal better. The classification performance of proposed feature is superior to the other features extracted from waveform, liking auto-regression model and Gaussian mixture model. The coefficients of optimized DFS function, who is used to fit the arterial pressure waveforms, can obtain better performance in modeling the waveforms and holds more potential information for distinguishing different psychological states. Copyright © 2018 Elsevier B.V. All rights reserved.

Role of protein kinase C isoforms in cerebral microvascular reactivity to carbon dioxide

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

Wagerle, L.C.; Sang Joo Kim

1991-03-11

Protein kinase C (PKC) system is a family of proteins with several discrete subspecies having distinct roles in processing an ultimate expression of cellular functions, including smooth muscle cell contraction. Previous inhibitor studies from this lab implicated PKC as a potential determinant of cerebral microvascular tone and reactivity. The authors studied the role of three PKC subspecies in cerebral microvascular reactivity to CO{sub 2} challenge using monoclonal antibody (MAb) specific to PKC subspecies {alpha}, {beta}, and g. Pial arterioles in anesthetized, mechanically ventilated newborn piglets were monitored via a cranial window preparation and intravital microscopy. {alpha}PKC-, {beta}PKC-, or gPKC-MAb wasmore » applied to the cortical surface for 15 minutes, washed out, and the pial arteriolar response to CO{sub 2} challenge was evaluated (N = 18). In {beta}PKC-MAb and gPKC-MAb pretreated preparations, the subsequent CO{sub 2} challenge increased pial arteriolar diameter by 18 {plus minus} 2% and 26 {plus minus} 7% which correspond to a 50% and 27% attenuation of CO{sub 2} reactivity,k respectively, as opposed to that in MAb-naive preparations. However, {alpha}PKC-MAb pretreatment did not alter CO{sub 2} reactivity. MAbs alone changed minimally pial arteriolar diameter. The authors conclude that {beta}PKC and gPKC are involved in the expression of microvascular reactivity to CO{sub 2}, providing a putative intracellular biochemical basis for CO{sub 2}/H{sup +}-induced regulation of cerebral microvascular tone.« less

Infrared and visual image fusion method based on discrete cosine transform and local spatial frequency in discrete stationary wavelet transform domain

NASA Astrophysics Data System (ADS)

Jin, Xin; Jiang, Qian; Yao, Shaowen; Zhou, Dongming; Nie, Rencan; Lee, Shin-Jye; He, Kangjian

2018-01-01

In order to promote the performance of infrared and visual image fusion and provide better visual effects, this paper proposes a hybrid fusion method for infrared and visual image by the combination of discrete stationary wavelet transform (DSWT), discrete cosine transform (DCT) and local spatial frequency (LSF). The proposed method has three key processing steps. Firstly, DSWT is employed to decompose the important features of the source image into a series of sub-images with different levels and spatial frequencies. Secondly, DCT is used to separate the significant details of the sub-images according to the energy of different frequencies. Thirdly, LSF is applied to enhance the regional features of DCT coefficients, and it can be helpful and useful for image feature extraction. Some frequently-used image fusion methods and evaluation metrics are employed to evaluate the validity of the proposed method. The experiments indicate that the proposed method can achieve good fusion effect, and it is more efficient than other conventional image fusion methods.

Metal-Folded Single-Chain Nanoparticle: Nanoclusters and Self-Assembled Reduction-Responsive Sub-5-nm Discrete Subdomains.

PubMed

Cao, Hui; Cui, Zhigang; Gao, Pan; Ding, Yi; Zhu, Xuechao; Lu, Xinhua; Cai, Yuanli

2017-09-01

Easy access to discrete nanoclusters in metal-folded single-chain nanoparticles (metal-SCNPs) and independent ultrafine sudomains in the assemblies via coordination-driven self-assembly of hydrophilic copolymer containing 9% imidazole groups is reported herein. 1 H NMR, dynamic light scattering, and NMR diffusion-ordered spectroscopy results demonstrate self-assembly into metal-SCNPs (>70% imidazole-units folded) by neutralization in the presence of Cu(II) in water to pH 4.6. Further neutralization induces self-assembly of metal-SCNPs (pH 4.6-5.0) and shrinkage (pH 5.0-5.6), with concurrent restraining residual imidazole motifs and hydrophilic segment, which organized into constant nanoparticles over pH 5.6-7.5. Atomic force microscopy results evidence discrete 1.2 nm nanoclusters and sub-5-nm subdomains in metal-SCNP and assembled nanoparticle. Reduction of metal center using sodium ascorbate induces structural rearrangement to one order lower than the precursor. Enzyme mimic catalysis required media-tunable discrete ultrafine interiors in metal-SCNPs and assemblies have hence been achieved. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Summary on several key techniques in 3D geological modeling.

PubMed

Mei, Gang

2014-01-01

Several key techniques in 3D geological modeling including planar mesh generation, spatial interpolation, and surface intersection are summarized in this paper. Note that these techniques are generic and widely used in various applications but play a key role in 3D geological modeling. There are two essential procedures in 3D geological modeling: the first is the simulation of geological interfaces using geometric surfaces and the second is the building of geological objects by means of various geometric computations such as the intersection of surfaces. Discrete geometric surfaces that represent geological interfaces can be generated by creating planar meshes first and then spatially interpolating; those surfaces intersect and then form volumes that represent three-dimensional geological objects such as rock bodies. In this paper, the most commonly used algorithms of the key techniques in 3D geological modeling are summarized.

Production of Lightning NO(x) and its Vertical Distribution Calculated from 3-D Cloud-scale Chemical Transport Model Simulations

NASA Technical Reports Server (NTRS)

Ott, Lesley; Pickering, Kenneth; Stenchikov, Georgiy; Allen, Dale; DeCaria, Alex; Ridley, Brian; Lin, Ruei-Fong; Lang, Steve; Tao, Wei-Kuo

2009-01-01

A 3-D cloud scale chemical transport model that includes a parameterized source of lightning NO(x), based on observed flash rates has been used to simulate six midlatitude and subtropical thunderstorms observed during four field projects. Production per intracloud (P(sub IC) and cloud-to-ground (P(sub CG)) flash is estimated by assuming various values of P(sub IC) and P(sub CG) for each storm and determining which production scenario yields NO(x) mixing ratios that compare most favorably with in-cloud aircraft observations. We obtain a mean P(sub CG) value of 500 moles NO (7 kg N) per flash. The results of this analysis also suggest that on average, P(sub IC) may be nearly equal to P(sub CG), which is contrary to the common assumption that intracloud flashes are significantly less productive of NO than are cloud-to-ground flashes. This study also presents vertical profiles of the mass of lightning NO(x), after convection based on 3-D cloud-scale model simulations. The results suggest that following convection, a large percentage of lightning NO(x), remains in the middle and upper troposphere where it originated, while only a small percentage is found near the surface. The results of this work differ from profiles calculated from 2-D cloud-scale model simulations with a simpler lightning parameterization that were peaked near the surface and in the upper troposphere (referred to as a "C-shaped" profile). The new model results (a backward C-shaped profile) suggest that chemical transport models that assume a C-shaped vertical profile of lightning NO(x) mass may place too much mass neat the surface and too little in the middle troposphere.

PAES study of the positron thermal desorption from a Ge(100) surface

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

Soininen, E.; Schwab, A.; Lynn, K.G.

1991-02-01

Positron induced Auger electron spectroscopy (PAES) from a clean Ge(100) surface was studied as a function of temperature. Three low-energy Auger peaks were detected at 50 eV, 90 eV and 100--150 eV, attributed to M{sub 2,3}M{sub 4}M{sub 4}, M{sub 2,3}M{sub 4}V and M{sub 1}M{sub 4}M{sub 4} Auger transitions, respectively. An estimated 4({plus minus}1)% of the surface trapped positrons annihilate with Ge 3p level electrons. The PAES yield from a Ge(100) surface is reduced at elevated temperatures, in accordance with an activation process found earlier in several Ps fraction experiments. A desorption model adopted from these studies does not accurately describemore » the PAES intensity at higher temperatures ({gt}500 {degree}C), which levels off at 5% of the room temperature value. Possible sources for the discrepancy are discussed. On a Ge(100) surface, an upper limit for the Ps emission near the melting point is 97%. The error in calibration parameters due to the earlier assumption of 100% Ps emission from Ge surfaces seems to induce only small errors to the Ps fraction measurements.« less

Modelling of discrete TDS-spectrum of hydrogen desorption

NASA Astrophysics Data System (ADS)

Rodchenkova, Natalia I.; Zaika, Yury V.

2015-12-01

High concentration of hydrogen in metal leads to hydrogen embrittlement. One of the methods to evaluate the hydrogen content is the method of thermal desorption spectroscopy (TDS). As the sample is heated under vacuumization, atomic hydrogen diffuses inside the bulk and is desorbed from the surface in the molecular form. The extraction curve (measured by a mass-spectrometric analyzer) is recorded. In experiments with monotonous external heating it is observed that background hydrogen fluxes from the extractor walls and fluxes from the sample cannot be reliably distinguished. Thus, the extraction curve is doubtful. Therefore, in this case experimenters use discrete TDS-spectrum: the sample is removed from the analytical part of the device for the specified time interval, and external temperature is then increased stepwise. The paper is devoted to the mathematical modelling and simulation of experimental studies. In the corresponding boundary-value problem with nonlinear dynamic boundary conditions physical- chemical processes in the bulk and on the surface are taken into account: heating of the sample, diffusion in the bulk, hydrogen capture by defects, penetration from the bulk to the surface and desorption. The model aimed to analyze the dynamics of hydrogen concentrations without preliminary artificial sample saturation. Numerical modelling allows to choose the point on the extraction curve that corresponds to the initial quantity of the surface hydrogen, to estimate the values of the activation energies of diffusion, desorption, parameters of reversible capture and hydride phase decomposition.

Water exchange on a geological timescale - examples from two coastal sites in the Baltic Sea.

PubMed

Eriksson, Christin; Engqvist, Anders

2013-05-01

The water turnover of two coastal areas, Forsmark and Laxemar-Simpevarp, has been modeled for 13 selected years between 6500 BC and 9000 AD by utilizing information about past, present, and future bathymetry. The Forsmark area can be described as an open-ended funnel, and is analyzed with a 3D-model (MIKE 3-FM); the Laxemar area is partitioned into clusters of sub-basins treated with a discrete coupled basin model (CouBa). In all simulations, the main variation factor is the land uplift. The 3D-model domain is successively modified. For the CouBa approach the successive basin configurations are objectively deduced based on the 3D domain modifications. The average age (AvA) of the resident water relative to the open coast is generally lower for the Forsmark area. A typical progression is that the AvA values increase until a sub-basin ceases to be connected to the coastal zone. This disconnection is often preceded by a lowered AvA.

Coupled SPH-FV method with net vorticity and mass transfer

NASA Astrophysics Data System (ADS)

Chiron, L.; Marrone, S.; Di Mascio, A.; Le Touzé, D.

2018-07-01

Recently, an algorithm for coupling a Finite Volume (FV) method, that discretize the Navier-Stokes equations on block structured Eulerian grids, with the weakly-compressible Lagrangian Smoothed Particle Hydrodynamics (SPH) was presented in [16]. The algorithm takes advantage of the SPH method to discretize flow regions close to free-surfaces and of the FV method to resolve the bulk flow and the wall regions. The continuity between the two solutions is guaranteed by overlapping zones. Here we extend the algorithm by adding the possibility to have: 1) net mass transfer between the SPH and FV sub-domains; 2) free-surface across the overlapping region. In this context, particle generation at common boundaries is required to prevent depletion or clustering of particles. This operation is not trivial, because consistency between the Lagrangian and Eulerian description of the flow must be retained to ensure mass conservation. We propose here a new coupling paradigm that extends the algorithm developed in [16] and renders it suitable to test cases where vorticity and free surface significantly pass from one domain to the other. On the SPH side, a novel technique for the creation/deletion of particle was developed. On the FV side, the information recovered from the SPH solver are exploited to improve free surface prediction in a fashion that resemble the Particle Level-Set algorithms. The combination of the two new features was tested and validated in a number of test cases where both vorticity and front evolution are important. Convergence and robustness of the algorithm are shown.

Interfacial charging phenomena of aluminum (hydr)oxides

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

Hiemstra, T.; Yong, H.; Van Riemsdijk, W.H.

1999-08-31

The interfacial charging of Al(OH){sub 3} (gibbsite and bayerite) and Al{sub 2}O{sub 3} has been studied. For Al(OH){sub 3} it can be shown that the very strong variation in charging behavior for different preparations is related to the relative presence of differently reacting crystal planes. The edge faces of the hexagonal gibbsite crystals are proton reactive over the whole pH range, in contrast to the 001 plane, which is mainly uncharged below pH = 10. On this 001 face only doubly coordinated surface groups are found, in contrast to the edges which also have singly coordinated surface groups. The resultsmore » are fully in agreement with the predictions of the Multi site complexation (MUSIC) model. The proton adsorption, electrolyte ion adsorption, and shift of the IEP of gibbsite and aluminum oxide have been modeled simultaneously. For gibbsite, the ion pair formation of Na is larger than that of Cl, as is evidenced by modeling the experimentally observed upward shift on the IEP and charge reversal at high electrolyte concentrations. All these experimental results can be satisfactorily modeled with the MUSIC model, including the experimental surface potential of aluminum oxide (ISFET).« less

A Vertically Lagrangian Finite-Volume Dynamical Core for Global Models

NASA Technical Reports Server (NTRS)

Lin, Shian-Jiann

2003-01-01

A finite-volume dynamical core with a terrain-following Lagrangian control-volume discretization is described. The vertically Lagrangian discretization reduces the dimensionality of the physical problem from three to two with the resulting dynamical system closely resembling that of the shallow water dynamical system. The 2D horizontal-to-Lagrangian-surface transport and dynamical processes are then discretized using the genuinely conservative flux-form semi-Lagrangian algorithm. Time marching is split- explicit, with large-time-step for scalar transport, and small fractional time step for the Lagrangian dynamics, which permits the accurate propagation of fast waves. A mass, momentum, and total energy conserving algorithm is developed for mapping the state variables periodically from the floating Lagrangian control-volume to an Eulerian terrain-following coordinate for dealing with physical parameterizations and to prevent severe distortion of the Lagrangian surfaces. Deterministic baroclinic wave growth tests and long-term integrations using the Held-Suarez forcing are presented. Impact of the monotonicity constraint is discussed.

An Isopycnal Box Model with predictive deep-ocean structure for biogeochemical cycling applications

NASA Astrophysics Data System (ADS)

Goodwin, Philip

2012-07-01

To simulate global ocean biogeochemical tracer budgets a model must accurately determine both the volume and surface origins of each water-mass. Water-mass volumes are dynamically linked to the ocean circulation in General Circulation Models, but at the cost of high computational load. In computationally efficient Box Models the water-mass volumes are simply prescribed and do not vary when the circulation transport rates or water mass densities are perturbed. A new computationally efficient Isopycnal Box Model is presented in which the sub-surface box volumes are internally calculated from the prescribed circulation using a diffusive conceptual model of the thermocline, in which upwelling of cold dense water is balanced by a downward diffusion of heat. The volumes of the sub-surface boxes are set so that the density stratification satisfies an assumed link between diapycnal diffusivity, κd, and buoyancy frequency, N: κd = c/(Nα), where c and α are user prescribed parameters. In contrast to conventional Box Models, the volumes of the sub-surface ocean boxes in the Isopycnal Box Model are dynamically linked to circulation, and automatically respond to circulation perturbations. This dynamical link allows an important facet of ocean biogeochemical cycling to be simulated in a highly computationally efficient model framework.

Discrete bivariate population balance modelling of heteroaggregation processes.

PubMed

Rollié, Sascha; Briesen, Heiko; Sundmacher, Kai

2009-08-15

Heteroaggregation in binary particle mixtures was simulated with a discrete population balance model in terms of two internal coordinates describing the particle properties. The considered particle species are of different size and zeta-potential. Property space is reduced with a semi-heuristic approach to enable an efficient solution. Aggregation rates are based on deterministic models for Brownian motion and stability, under consideration of DLVO interaction potentials. A charge-balance kernel is presented, relating the electrostatic surface potential to the property space by a simple charge balance. Parameter sensitivity with respect to the fractal dimension, aggregate size, hydrodynamic correction, ionic strength and absolute particle concentration was assessed. Results were compared to simulations with the literature kernel based on geometric coverage effects for clusters with heterogeneous surface properties. In both cases electrostatic phenomena, which dominate the aggregation process, show identical trends: impeded cluster-cluster aggregation at low particle mixing ratio (1:1), restabilisation at high mixing ratios (100:1) and formation of complex clusters for intermediate ratios (10:1). The particle mixing ratio controls the surface coverage extent of the larger particle species. Simulation results are compared to experimental flow cytometric data and show very satisfactory agreement.

Dynamic mortar finite element method for modeling of shear rupture on frictional rough surfaces

NASA Astrophysics Data System (ADS)

Tal, Yuval; Hager, Bradford H.

2017-09-01

This paper presents a mortar-based finite element formulation for modeling the dynamics of shear rupture on rough interfaces governed by slip-weakening and rate and state (RS) friction laws, focusing on the dynamics of earthquakes. The method utilizes the dual Lagrange multipliers and the primal-dual active set strategy concepts, together with a consistent discretization and linearization of the contact forces and constraints, and the friction laws to obtain a semi-smooth Newton method. The discretization of the RS friction law involves a procedure to condense out the state variables, thus eliminating the addition of another set of unknowns into the system. Several numerical examples of shear rupture on frictional rough interfaces demonstrate the efficiency of the method and examine the effects of the different time discretization schemes on the convergence, energy conservation, and the time evolution of shear traction and slip rate.

Discrete Roughness Effects on Shuttle Orbiter at Mach 6

NASA Technical Reports Server (NTRS)

Berry, Scott A.; Hamilton, H. Harris, II

2002-01-01

Discrete roughness boundary layer transition results on a Shuttle Orbiter model in the NASA Langley Research Center 20-Inch Mach 6 Air Tunnel have been reanalyzed with new boundary layer calculations to provide consistency for comparison to other published results. The experimental results were previously obtained utilizing the phosphor thermography system to monitor the status of the boundary layer via global heat transfer images of the Orbiter windward surface. The size and location of discrete roughness elements were systematically varied along the centerline of the 0.0075-scale model at an angle of attack of 40 deg and the boundary layer response recorded. Various correlative approaches were attempted, with the roughness transition correlations based on edge properties providing the most reliable results. When a consistent computational method is used to compute edge conditions, transition datasets for different configurations at several angles of attack have been shown to collapse to a well-behaved correlation.

Normal Incidence for Graded Index Surfaces

NASA Technical Reports Server (NTRS)

Khankhoje, Uday K.; Van Zyl, Jakob

2011-01-01

A plane wave is incident normally from vacuum (eta(sub 0) = 1) onto a smooth surface. The substrate has three layers; the top most layer has thickness d(sub 1) and permittivity epsilon(sub 1). The corresponding numbers for the next layer are d(sub 2); epsilon(sub 2), while the third layer which is semi-in nite has index eta(sub 3). The Hallikainen model [1] is used to relate volumetric soil moisture to the permittivity. Here, we consider the relation for the real part of the permittivity for a typical loam soil: acute epsilon(mv) = 2.8571 + 3.9678 x mv + 118:85 x mv(sup 2).

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

Gray, D.C.; Tepermeister, I.; Sawin, H.H.

A multiple beam apparatus has been constructed to facilitate the study of ion-enhanced fluorine chemistry on undoped polysilicon and silicon dioxide surfaces by allowing the fluxes of fluorine (F) atoms and argon (Ar{sup +}) ions to be independently varied over several orders of magnitude. The chemical nature of the etching surfaces has been investigated following the vacuum transfer of the sample dies to an adjoining x-ray photoelectron spectroscopy facility. The etching {open_quotes}enhancement{close_quotes} effect of normally incident Ar{sup +} ions has been quantified over a wide range of ion energy through the use of Kaufman and electron cyclotron resonance-type ion sources.more » The increase in per ion etching yield of fluorine saturated silicon and silicon dioxide surfaces with increasing ion energy (E{sub ion}) was found to scale as (E{sub ion}{sup 1/2}-E{sub th}{sup 1/2}), where E{sub th} is the etching threshold energy for the process. Simple near-surface site occupation models have been proposed for the quantification of the ion-enhanced etching kinetics in these systems. Acceptable agreement has been found in comparison of these Ar{sup +}/F etching model predictions with similar Ar{sup +}/XeF{sub 2} studies reported in the literature, as well as with etching rate measurements made in F-based plasmas of gases such as SF{sub 6} and NF{sub 3}. 69 refs., 12 figs., 6 tabs.« less

Development of a 3D Soil-Plant-Atmosphere Continuum (SPAC) coupled to a Land Surface Model

NASA Astrophysics Data System (ADS)

Bisht, G.; Riley, W. J.; Lorenzetti, D.; Tang, J.

2015-12-01

Exchange of water between the atmosphere and biosphere via evapotranspiration (ET) influences global hydrological, energy, and biogeochemical cycles. Isotopic analysis has shown that evapotranspiration over the continents is largely dominated by transpiration. Water is taken up from soil by plant roots, transported through the plant's vascular system, and evaporated from the leaves. Yet current Land Surface Models (LSMs) integrated into Earth System Models (ESMs) treat plant roots as passive components. These models distribute the ET sink vertically over the soil column, neglect the vertical pressure distribution along the plant vascular system, and assume that leaves can directly access water from any soil layer within the root zone. Numerous studies have suggested that increased warming due to climate change will lead drought and heat-induced tree mortality. A more mechanistic treatment of water dynamics in the soil-plant-atmosphere continuum (SPAC) is essential for investigating the fate of ecosystems under a warmer climate. In this work, we describe a 3D SPAC model that can be coupled to a LSM. The SPAC model uses the variably saturated Richards equations to simulate water transport. The model uses individual governing equations and constitutive relationships for the various SPAC components (i.e., soil, root, and xylem). Finite volume spatial discretization and backward Euler temporal discretization is used to solve the SPAC model. The Portable, Extensible Toolkit for Scientific Computation (PETSc) is used to numerically integrate the discretized system of equations. Furthermore, PETSc's multi-physics coupling capability (DMComposite) is used to solve the tightly coupled system of equations of the SPAC model. Numerical results are presented for multiple test problems.

COSMIC-RAY-MEDIATED FORMATION OF BENZENE ON THE SURFACE OF SATURN'S MOON TITAN

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

Zhou Li; Zheng Weijun; Kaiser, Ralf I.

2010-08-01

The aromatic benzene molecule (C{sub 6}H{sub 6})-a central building block of polycyclic aromatic hydrocarbon molecules-is of crucial importance for the understanding of the organic chemistry of Saturn's largest moon, Titan. Here, we show via laboratory experiments and electronic structure calculations that the benzene molecule can be formed on Titan's surface in situ via non-equilibrium chemistry by cosmic-ray processing of low-temperature acetylene (C{sub 2}H{sub 2}) ices. The actual yield of benzene depends strongly on the surface coverage. We suggest that the cosmic-ray-mediated chemistry on Titan's surface could be the dominant source of benzene, i.e., a factor of at least two ordersmore » of magnitude higher compared to previously modeled precipitation rates, in those regions of the surface which have a high surface coverage of acetylene.« less

Analysis of MAGSAT and surface data of the Indian region

NASA Technical Reports Server (NTRS)

Agarwal, G. C. (Principal Investigator)

1983-01-01

Techniques and significant results of an analysis of MAGSAT and surface data of the Indian region are described. Specific investigative tasks included: (1) use of the multilevel data at different altitudes to develop a model for variation of magnetic anomaly with altitude; (2) development of the regional model for the description of main geomagnetic field for the Indian sub-continent using MAGSAT and observatory data; (3) development of regional mathematical model of secular variations over the Indian sub-continent; and (4) downward continuation of the anomaly field obtained from MAGSAT and its combination with the existing observatory data to produce a regional anomaly map for elucidating tectonic features of the Indian sub-continent.

Modelling deuterium release from tungsten after high flux high temperature deuterium plasma exposure

NASA Astrophysics Data System (ADS)

Grigorev, Petr; Matveev, Dmitry; Bakaeva, Anastasiia; Terentyev, Dmitry; Zhurkin, Evgeny E.; Van Oost, Guido; Noterdaeme, Jean-Marie

2016-12-01

Tungsten is a primary candidate for plasma facing materials for future fusion devices. An important safety concern in the design of plasma facing components is the retention of hydrogen isotopes. Available experimental data is vast and scattered, and a consistent physical model of retention of hydrogen isotopes in tungsten is still missing. In this work we propose a model of non-equilibrium hydrogen isotopes trapping under fusion relevant plasma exposure conditions. The model is coupled to a diffusion-trapping simulation tool and is used to interpret recent experiments involving high plasma flux exposures. From the computational analysis performed, it is concluded that high flux high temperature exposures (T = 1000 K, flux = 1024 D/m2/s and fluence of 1026 D/m2) result in generation of sub-surface damage and bulk diffusion, so that the retention is driven by both sub-surface plasma-induced defects (bubbles) and trapping at natural defects. On the basis of the non-equilibrium trapping model we have estimated the amount of H stored in the sub-surface region to be ∼10-5 at-1, while the bulk retention is about 4 × 10-7 at-1, calculated by assuming the sub-surface layer thickness of about 10 μm and adjusting the trap concentration to comply with the experimental results for the integral retention.

Surface diffusion of Sb on Ge(111) monitored quantitatively with optical second harmonic microscopy

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

Schultz, K.A.; Seebauer, E.G.

Surface diffusion of Sb on Ge(111) has been measured with the newly developed technique of optical second harmonic microscopy. In this method, concentration profiles at submonolayer coverage are imaged directly by surface second harmonic generation with 5 {mu} spatial resolution. A Boltzmann--Matano analysis yields the coverage dependence of the diffusivity {ital D} without parametrization. Experiments were performed at roughly 70% of the bulk melting temperature {ital T}{sub {ital m}}. In the coverage range 0{le}{theta}{le}0.6, the activation energy {ital E}{sub diff} remains constant at 47.5{plus minus}1.5 kcal/mol, but the pre-exponential factor {ital D}{sub 0} decreases from 8.7{times}10{sup 3{plus minus}0.4} to 1.6{times}10{supmore » 2{plus minus}0.4} cm{sup 2}/s. Both {ital E}{sub diff} and {ital D}{sub 0} are quite large, which is consistent with high-temperature measurements in other systems. The inadequacies of current theories for high-temperature surface diffusion are outlined, and a new vacancy model is proposed for low-coverage diffusion. The model accounts semiquantitatively for the large values of {ital E}{sub diff} and {ital D}{sub 0}, and suggests that these quantities may be manipulated using doping levels and photon illumination. An islanding mechanism is proposed to explain the decrease in {ital D}{sub 0} with {theta}.« less

Variations and controls on crustal thermal regimes in Southeastern Australia

NASA Astrophysics Data System (ADS)

Mather, Ben; McLaren, Sandra; Taylor, David; Roy, Sukanta; Moresi, Louis

2018-01-01

The surface heat flow field in Australia has for many years been poorly constrained compared to continental regions elsewhere. 182 recent heat flow determinations and 66 new heat production measurements for Southeastern Australia significantly increase our understanding of local and regional lithospheric thermal regimes and allow for detailed thermal modelling. The new data give a mean surface heat flow for Victoria of 71 ± 15 mW m- 2 which fits within the 61-77 mW m- 2 range reported for Phanerozoic-aged crust globally. These data reveal three new thermally and compositionally distinct heat flow sub-provinces within the previously defined Eastern Heat Flow Province: the Delamerian heat flow sub-province (average surface heat flow 60 ± 9 mW m- 2); the Lachlan heat flow sub-province (average surface heat flow 74 ± 13 mW m- 2); and the Newer Volcanics heat flow sub-province (average surface heat flow 72 ± 16 mW m- 2) which includes extreme values that locally exceed 100 mW m- 2. Inversions of reduced heat flow and crustal differentiation find that the Delamerian sub-province has experienced significant crustal reworking compared to the Lachlan and Newer Volcanics sub-provinces. The latter has experienced volcanism within the last 8 Ma and the degree of variability observed in surface heat flow points (up to 8 mW m- 2 per kilometre laterally) cannot be replicated with steady-state thermal models through this sub-province. In the absence of a strong palaeoclimate signal, aquifer disturbances, or highly enriched granites, we suggest that this high variability arises from localised transient perturbations to the upper crust associated with recent intraplate volcanism. This is supported by a strong spatial correlation of high surface heat flow and known eruption points within the Newer Volcanics heat flow sub-province.

Combining surface reanalysis and remote sensing data for monitoring evapotranspiration

USGS Publications Warehouse

Marshall, M.; Tu, K.; Funk, C.; Michaelsen, J.; Williams, Pat; Williams, C.; Ardö, J.; Marie, B.; Cappelaere, B.; Grandcourt, A.; Nickless, A.; Noubellon, Y.; Scholes, R.; Kutsch, W.

2012-01-01

Climate change is expected to have the greatest impact on the world's poor. In the Sahel, a climatically sensitive region where rain-fed agriculture is the primary livelihood, expected decreases in water supply will increase food insecurity. Studies on climate change and the intensification of the water cycle in sub-Saharan Africa are few. This is due in part to poor calibration of modeled actual evapotranspiration (AET), a key input in continental-scale hydrologic models. In this study, a model driven by dynamic canopy AET was combined with the Global Land Data Assimilation System realization of the NOAH Land Surface Model (GNOAH) wet canopy and soil AET for monitoring purposes in sub-Saharan Africa. The performance of the hybrid model was compared against AET from the GNOAH model and dynamic model using eight eddy flux towers representing major biomes of sub-Saharan Africa. The greatest improvements in model performance are at humid sites with dense vegetation, while performance at semi-arid sites is poor, but better than individual models. The reduction in errors using the hybrid model can be attributed to the integration of a dynamic vegetation component with land surface model estimates, improved model parameterization, and reduction of multiplicative effects of uncertain data.

Data discretization for novel resource discovery in large medical data sets.

PubMed Central

Benoît, G.; Andrews, J. E.

2000-01-01

This paper is motivated by the problems of dealing with large data sets in information retrieval. The authors suggest an information retrieval framework based on mathematical principles to organize and permit end-user manipulation of a retrieval set. By adjusting through the interface the weights and types of relationships between query and set members, it is possible to expose unanticipated, novel relationships between the query/document pair. The retrieval set as a whole is parsed into discrete concept-oriented subsets (based on within-set similarity measures) and displayed on screen as interactive "graphic nodes" in an information space, distributed at first based on the vector model (similarity measure of set to query). The result is a visualized map wherein it is possible to identify main concept regions and multiple sub-regions as dimensions of the same data. Users may examine the membership within sub-regions. Based on this framework, a data visualization user interface was designed to encourage users to work with the data on multiple levels to find novel relationships between the query and retrieval set members. Space constraints prohibit addressing all aspects of this project. PMID:11079845

Slow positrons in the study of surface and near-surface defects

NASA Astrophysics Data System (ADS)

Lynn, K. G.

A general theoretical model is presented which includes the probability of a positron diffusing back to the surface after implantation, and thermalization in samples containing various defects. This model incorporates surface state and thermal desorption from this state, as well as reflection back into the bulk. With this model vacancy formation enthalpies, activation energies of positrons from surface states, and specific trapping rates are deduced from the positronium fraction data. An amorphous Al/sub x/O/sub y/ overlayer on Al is discussed as an example of trapping in overlayers. In well-annealed single crystal samples, the positron is shown to be freely diffusing at low temperatures, whereas in a neutron-irradiatied Al single crystal sample the positron is localized at low positron binding energy defects presumably created during irradiation.

An integrated draft gear model with the consideration of wagon body structural characteristics

NASA Astrophysics Data System (ADS)

Chang, Gao; Liangliang, Yang; Weihua, Ma; Min, Zhang; Shihui, Luo

2018-03-01

With the increase of railway wagon axle load and the growth of marshalling quantity, the problem caused by impact and vibration of vehicles is increasingly serious, which leads to the damage of vehicle structures and the components. In order to improve the reliability of longitudinal connection model for vehicle impact tests, a new railway wagon longitudinal connection model was developed to simulate and analyse vehicle impact tests. The new model is based on characteristics of longitudinal force transmission for vehicles and parts. In this model, carbodies and bogies were simplified to a particle system that can vibrate in the longitudinal direction, which corresponded to a stiffness-damping vibration system. The model consists of three sub-models, that is, coupler and draft gear sub-model, centre plate sub-model and carbody structure sub-model. Compared with conventional draft gear models, the new model was proposed with geometrical and mechanical relations of friction draft gears considered and with behaviours of sticking, sliding and impact between centre plate and centre bowl added. Besides, virtual springs between discrete carbodies were built to describe the structural deformation of carbody. A computation program for longitudinal dynamics based on vehicle impact tests was accomplished to simulate. Comparisons and analyses regarding the train dynamics outputs and vehicle impact tests were conducted. Simulation results indicate that the new wagon longitudinal connection model can provide a practical application environment for wagons, and the outputs of vehicle impact tests agree with those of field tests. The new model can also be used to study on longitudinal vibrations of different vehicles, of carbody and bogie, and of carbody itself.

Random Telegraph Signal Amplitudes in Sub 100 nm (Decanano) MOSFETs: A 3D 'Atomistic' Simulation Study

NASA Technical Reports Server (NTRS)

Asenov, Asen; Balasubramaniam, R.; Brown, A. R.; Davies, J. H.; Saini, Subhash

2000-01-01

In this paper we use 3D simulations to study the amplitudes of random telegraph signals (RTS) associated with the trapping of a single carrier in interface states in the channel of sub 100 nm (decanano) MOSFETs. Both simulations using continuous doping charge and random discrete dopants in the active region of the MOSFETs are presented. We have studied the dependence of the RTS amplitudes on the position of the trapped charge in the channel and on the device design parameters. We have observed a significant increase in the maximum RTS amplitude when discrete random dopants are employed in the simulations.

Surface oscillation of levitated liquid droplets under microgravity

NASA Astrophysics Data System (ADS)

Watanabe, Masahito; Hibiya, Taketoshi; Ozawa, Shumpei; Mizuno, Akitoshi

2012-07-01

Microgravity conditions have advantages of measurement of surface tension and viscosity of metallic liquids by the oscillating drop method with an electromagnetic levitation (EML) device. Thus, we are now planning the thermophysical properties, the surface tension, viscosity, density and etc., measurements of liquid alloys using the electromagnetic levitator named MSL-EML (Materials Science Laboratory Electromagnetic Levitator), which ahs been developed by the European Space Agency (ESA), installed in the International Space Station (ISS). The surface tension and the viscosity of liquid samples by the oscillating drop method are obtained from the surface oscillation frequency and damping time of surface oscillation respectively. However, analysis of oscillating drop method in EML must be improved even in the microgravity conditions, because on the EML conditions the electromagnetic force (EMF) cannot generate the surface oscillation with discretely oscillation mode. Since under microgravity the levitated droplet shape is completely spherical, the surface oscillation frequency with different oscillation modes degenerates into the single frequency. Therefore, surface tension will be not affected the EML condition under microgravity, but viscosity will be affected on the different oscillation mode of surface oscillations. Because dumping time of surface oscillation of liquid droplets depends on the oscillation modes, the case of surface oscillation including multi oscillation modes the viscosity values obtained from dumping time will be modified from the correct viscosity. Therefore, we investigate the dumping time of surface oscillation of levitated droplets with different oscillation modes and also with including multi oscillation modes using the electrostatic levitation (ESL) on ground and EML under microgravity conditions by the parabolic flight of airplane. The ESL can discretely generate the surface oscillation with different oscillation modes by the change of generation frequency of surface oscillation, so we can obtain dumping time of surface oscillation with discrete oscillation mode. We repot the results of the damping time of the surface oscillation of levitated liquid droplet by ESL and EML experiment with numerical simulation of the damped oscillation model.

Reconfiguration of a smart surface using heteroclinic connections

PubMed Central

McInnes, Colin R.; Xu, Ming

2017-01-01

A reconfigurable smart surface with multiple equilibria is presented, modelled using discrete point masses and linear springs with geometric nonlinearity. An energy-efficient reconfiguration scheme is then investigated to connect equal-energy unstable (but actively controlled) equilibria. In principle, zero net energy input is required to transition the surface between these unstable states, compared to transitions between stable equilibria across a potential barrier. These transitions between equal-energy unstable states, therefore, form heteroclinic connections in the phase space of the problem. Moreover, the smart surface model developed can be considered as a unit module for a range of applications, including modules which can aggregate together to form larger distributed smart surface systems. PMID:28265191

Effects of deterministic surface distortions on reflector antenna performance

NASA Technical Reports Server (NTRS)

Rahmat-Samii, Y.

1985-01-01

Systematic distortions of reflector antenna surfaces can cause antenna radiation patterns to be undesirably different from those of perfectly smooth reflector surfaces. In this paper, a simulation model for systematic distortions is described which permits an efficient computation of the effects of distortions in the reflector pattern. The model uses a vector diffraction physical optics analysis for the determination of both the co-polar and cross-polar fields. An interpolation scheme is also presented for the description of reflector surfaces which are prescribed by discrete points. Representative numerical results are presented for reflectors with sinusoidally and thermally distorted surfaces. Finally, comparisons are made between the measured and calculated patterns of a slowly-varying distorted offset parabolic reflector.

A Neural Dynamic Model Generates Descriptions of Object-Oriented Actions.

PubMed

Richter, Mathis; Lins, Jonas; Schöner, Gregor

2017-01-01

Describing actions entails that relations between objects are discovered. A pervasively neural account of this process requires that fundamental problems are solved: the neural pointer problem, the binding problem, and the problem of generating discrete processing steps from time-continuous neural processes. We present a prototypical solution to these problems in a neural dynamic model that comprises dynamic neural fields holding representations close to sensorimotor surfaces as well as dynamic neural nodes holding discrete, language-like representations. Making the connection between these two types of representations enables the model to describe actions as well as to perceptually ground movement phrases-all based on real visual input. We demonstrate how the dynamic neural processes autonomously generate the processing steps required to describe or ground object-oriented actions. By solving the fundamental problems of neural pointing, binding, and emergent discrete processing, the model may be a first but critical step toward a systematic neural processing account of higher cognition. Copyright © 2017 The Authors. Topics in Cognitive Science published by Wiley Periodicals, Inc. on behalf of Cognitive Science Society.

H{sub 2} dissociation due to collisions with He

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

Ohlinger, L.; Forrey, R. C.; Lee, Teck-Ghee

2007-10-15

Cross sections for dissociation of H{sub 2} due to collision with He are calculated for highly excited rovibrational states using the quantum-mechanical coupled-states approximation. An L{sup 2} Sturmian basis set with multiple length scales is used to provide a discrete representation of the H{sub 2} continuum which includes orbiting resonances and a nonresonant background. Cross sections are given over a range of translational energies for both resonant and nonresonant dissociation together with the most important bound-state transitions for many different initial states. The results demonstrate that it is possible to compute converged quantum-mechanical cross sections using basis sets of modestmore » size. It is found that collision-induced dissociation competes with inelastic scattering as a depopulation mechanism for the highly excited states. The relevance of the present calculations to astrophysical models is discussed.« less

Fracture Mechanics Analysis of Stitched Stiffener-Skin Debonding

NASA Technical Reports Server (NTRS)

Glaessgen, E. H.; Raju, I. S.; Poe, C. C., Jr.

1998-01-01

An analysis based on plate finite elements and the virtual crack closure technique has been implemented to study the effect of stitching on mode I and mode II strain energy release rates for debond configurations. The stitches were modeled as discrete nonlinear fastener elements with a compliance determined by experiment. The axial and shear behavior of the stitches was considered, however, the two compliances and failure loads were assumed to be independent. Both a double cantilever beam (mode I) and a mixed mode skin-stiffener debond configuration were studied. In the double cantilever beam configurations, G(sub I) began to decrease once the debond had grown beyond the first row of stitches and was reduced to zero for long debonds. In the mixed-mode skin-stiffener configurations, G(sub I) showed a similar behavior as in the double cantilever beam configurations, however, G(sub u), continued to increase with increasing debond length.

Combining point and distributed snowpack data with landscape-based discretization for hydrologic modeling of the snow-dominated Maipo River basin, in the semi-arid Andes of Central Chile.

NASA Astrophysics Data System (ADS)

McPhee, James; Videla, Yohann

2014-05-01

The 5000-km2 upper Maipo River Basin, in central Chile's Andes, has an adequate streamgage network but almost no meteorological or snow accumulation data. Therefore, hydrologic model parameterization is strongly subject to model errors stemming from input and model-state uncertainty. In this research, we apply the Cold Regions Hydrologic Model (CRHM) to the basin, force it with reanalysis data downscaled to an appropriate resolution, and inform a parsimonious basin discretization, based on the hydrologic response unit concept, with distributed data on snowpack properties obtained through snow surveys for two seasons. With minimal calibration the model is able to reproduce the seasonal accumulation and melt cycle as recorded in the one snow pillow available for the basin, and although a bias in maximum accumulation persists, snowpack persistence in time is appropriately simulated based on snow water equivalent and snow covered area observations. Blowing snow events were simulated by the model whenever daily wind speed surpassed 8 m/s, although the use of daily instead of hourly data to force the model suggests that this phenomenon could be underestimated. We investigate the representation of snow redistribution by the model, and compare it with small-scale observations of wintertime snow accumulation on glaciers, in a first step towards characterizing ice distribution within a HRU spatial discretization. Although built at a different spatial scale, we present a comparison of simulated results with distributed snow depth data obtained within a 40 km2 sub-basin of the main Maipo watershed in two snow surveys carried out at the end of winter seasons 2011 and 2012, and compare basin-wide SWE estimates with a regression tree extrapolation of the observed data.

Resection of subaortic membrane for discrete subaortic stenosis.

PubMed

Talwar, Sachin; Anand, Abhishek; Gupta, Saurabh Kumar; Ramakrishnan, Sivasubramanian; Kothari, Shyam Sunder; Saxena, Anita; Juneja, Rajnish; Choudhary, Shiv Kumar; Airan, Balram

2017-07-01

We reviewed the long-term results of surgery for discrete subaortic membrane (SubAM) from a single institute. A retrospective review of medical records of all patients (n = 146) who underwent resection of a SubAM for discrete subaortic stenosis between 1990 and 2015 at the All India Institute of Medical Sciences, New Delhi, India was undertaken. Median age at surgery was 9.0 years (9 months-47 years). There was one early death. Preoperative peak left ventricular outflow tract (LVOT) Doppler gradient was 83.4 ± 26.2 mmHg (range: 34-169 mmHg). On preoperative echocardiography, aortic regurgitation (AR) was absent in 69 (47.3%), mild in 35 (24%), moderate in 30 (20.5%), and severe in 12 (8.2%). After surgery, the LVOT gradient was reduced to 15.1 ± 6.2 mmHg (P < 0.001). Fourteen patients (9.6%) who had residual/recurrent significant gradients are currently being followed-up or awaiting surgery. There was improvement in AR for operated patients with freedom from AR of 92.6 ± 0.03% at 15 years. Kaplan-Meier survival at 25 years was 93.0 ± 3.9% (95% confidence interval: 79.6, 97.7). Freedom from re-operation at 25 years was 96.9 ± 1.8%. Long-term results of surgery for discrete SubAM are good. Resection of the membrane along with septal myectomy decreases the risk of recurrence. © 2017 Wiley Periodicals, Inc.

Modeling and inversion of the microtremor H/ V spectral ratio: physical basis behind the diffuse field approach

NASA Astrophysics Data System (ADS)

Sánchez-Sesma, Francisco J.

2017-07-01

Microtremor H/ V spectral ratio (MHVSR) has gained popularity to assess the dominant frequency of soil sites. It requires measurement of ground motion due to seismic ambient noise at a site and a relatively simple processing. Theory asserts that the ensemble average of the autocorrelation of motion components belonging to a diffuse field at a given receiver gives the directional energy densities (DEDs) which are proportional to the imaginary parts of the Green's function components when both source and receiver are the same point and the directions of force and response coincide. Therefore, the MHVSR can be modeled as the square root of 2 × Im G 11/Im G 33, where Im G 11 and Im G 33 are the imaginary parts of Green's functions at the load point for the horizontal (sub-index 1) and vertical (sub-index 3) components, respectively. This connection has physical implications that emerge from the duality DED force and allows understanding the behavior of the MHVSR. For a given model, the imaginary parts of the Green's functions are integrals along a radial wavenumber. To deal with these integrals, we have used either the popular discrete wavenumber method or the Cauchy's residue theorem at the poles that account for surface waves normal modes giving the contributions due to Rayleigh and Love waves. For the retrieval of the velocity structure, one can minimize the weighted differences between observations and calculated values using the strategy of an inversion scheme. In this research, we used simulated annealing but other optimization techniques can be used as well. This last approach allows computing separately the contributions of different wave types. An example is presented for the mouth of Andarax River at Almería, Spain. [Figure not available: see fulltext.

A simple robust and accurate a posteriori sub-cell finite volume limiter for the discontinuous Galerkin method on unstructured meshes

NASA Astrophysics Data System (ADS)

Dumbser, Michael; Loubère, Raphaël

2016-08-01

In this paper we propose a simple, robust and accurate nonlinear a posteriori stabilization of the Discontinuous Galerkin (DG) finite element method for the solution of nonlinear hyperbolic PDE systems on unstructured triangular and tetrahedral meshes in two and three space dimensions. This novel a posteriori limiter, which has been recently proposed for the simple Cartesian grid case in [62], is able to resolve discontinuities at a sub-grid scale and is substantially extended here to general unstructured simplex meshes in 2D and 3D. It can be summarized as follows: At the beginning of each time step, an approximation of the local minimum and maximum of the discrete solution is computed for each cell, taking into account also the vertex neighbors of an element. Then, an unlimited discontinuous Galerkin scheme of approximation degree N is run for one time step to produce a so-called candidate solution. Subsequently, an a posteriori detection step checks the unlimited candidate solution at time t n + 1 for positivity, absence of floating point errors and whether the discrete solution has remained within or at least very close to the bounds given by the local minimum and maximum computed in the first step. Elements that do not satisfy all the previously mentioned detection criteria are flagged as troubled cells. For these troubled cells, the candidate solution is discarded as inappropriate and consequently needs to be recomputed. Within these troubled cells the old discrete solution at the previous time tn is scattered onto small sub-cells (Ns = 2 N + 1 sub-cells per element edge), in order to obtain a set of sub-cell averages at time tn. Then, a more robust second order TVD finite volume scheme is applied to update the sub-cell averages within the troubled DG cells from time tn to time t n + 1. The new sub-grid data at time t n + 1 are finally gathered back into a valid cell-centered DG polynomial of degree N by using a classical conservative and higher order accurate finite volume reconstruction technique. Consequently, if the number Ns is sufficiently large (Ns ≥ N + 1), the subscale resolution capability of the DG scheme is fully maintained, while preserving at the same time an essentially non-oscillatory behavior of the solution at discontinuities. Many standard DG limiters only adjust the discrete solution in troubled cells, based on the limiting of higher order moments or by applying a nonlinear WENO/HWENO reconstruction on the data at the new time t n + 1. Instead, our new DG limiter entirely recomputes the troubled cells by solving the governing PDE system again starting from valid data at the old time level tn, but using this time a more robust scheme on the sub-grid level. In other words, the piecewise polynomials produced by the new limiter are the result of a more robust solution of the PDE system itself, while most standard DG limiters are simply based on a mere nonlinear data post-processing of the discrete solution. Technically speaking, the new method corresponds to an element-wise checkpointing and restarting of the solver, using a lower order scheme on the sub-grid. As a result, the present DG limiter is even able to cure floating point errors like NaN values that have occurred after divisions by zero or after the computation of roots from negative numbers. This is a unique feature of our new algorithm among existing DG limiters. The new a posteriori sub-cell stabilization approach is developed within a high order accurate one-step ADER-DG framework on multidimensional unstructured meshes for hyperbolic systems of conservation laws as well as for hyperbolic PDE with non-conservative products. The method is applied to the Euler equations of compressible gas dynamics, to the ideal magneto-hydrodynamics equations (MHD) as well as to the seven-equation Baer-Nunziato model of compressible multi-phase flows. A large set of standard test problems is solved in order to assess the accuracy and robustness of the new limiter.

Quantum dots as contrast agents for endoscopy: mathematical modeling and experimental validation of the optimal excitation wavelength

NASA Astrophysics Data System (ADS)

Roy, Mathieu; DaCosta, Ralph S.; Weersink, Robert; Netchev, George; Davidson, Sean R. H.; Chan, Warren; Wilson, Brian C.

2007-02-01

Our group is investigating the use of ZnS-capped CdSe quantum dot (QD) bioconjugates combined with fluorescence endoscopy for improved early cancer detection in the esophagus, colon and lung. A major challenge in using fluorescent contrast agents in vivo is to extract the relevant signal from the tissue autofluorescence (AF). Our studies are aimed at maximizing the QD signal to AF background ratio (SBR) to facilitate detection. This work quantitatively evaluates the effect of the excitation wavelength on the SBR, using both experimental measurements and mathematical modeling. Experimental SBR measurements were done by imaging QD solutions placed onto (surface) or embedded in (sub-surface) ex vivo murine tissue samples (brain, kidney, liver, lung), using a polymethylmethacrylate (PMMA) microchannel phantom. The results suggest that the maximum contrast is reached when the excitation wavelength is set at 400+/-20 μm for the surface configuration. For the sub-surface configuration, the optimal excitation wavelength varies with the tissue type and QD emission wavelengths. Our mathematical model, based on an approximation to the diffusion equation, successfully predicts the optimal excitation wavelength for the surface configuration, but needs further modifications to be accurate in the sub-surface configuration.

Interface and Electronic Characterization of Thin Epitaxial Co3O4 Films

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

Vaz, C.A.; Zhu, Y.; Wang, H.-Q.

2009-01-15

The interface and electronic structure of thin ({approx} 20-74 nm) Co{sub 3}O{sub 4}(1 1 0) epitaxial films grown by oxygen-assisted molecular beam epitaxy on MgAl{sub 2}O{sub 4}(1 1 0) single crystal substrates have been investigated by means of real and reciprocal space techniques. As-grown film surfaces are found to be relatively disordered and exhibit an oblique low energy electron diffraction (LEED) pattern associated with the O-rich CoO{sub 2} bulk termination of the (1 1 0) surface. Interface and bulk film structure are found to improve significantly with post-growth annealing at 820 K in air and display sharp rectangular LEED patterns,more » suggesting a surface stoichiometry of the alternative Co{sub 2}O{sub 2} bulk termination of the (1 1 0) surface. Non-contact atomic force microscopy demonstrates the presence of wide terraces separated by atomic steps in the annealed films that are not present in the as-grown structures; the step height of {approx}2.7 {angstrom} corresponds to two atomic layers and confirms a single termination for the annealed films, consistent with the LEED results. A model of the (1 x 1) surfaces that allows for compensation of the polar surfaces is presented.« less

Summary on Several Key Techniques in 3D Geological Modeling

PubMed Central

2014-01-01

Several key techniques in 3D geological modeling including planar mesh generation, spatial interpolation, and surface intersection are summarized in this paper. Note that these techniques are generic and widely used in various applications but play a key role in 3D geological modeling. There are two essential procedures in 3D geological modeling: the first is the simulation of geological interfaces using geometric surfaces and the second is the building of geological objects by means of various geometric computations such as the intersection of surfaces. Discrete geometric surfaces that represent geological interfaces can be generated by creating planar meshes first and then spatially interpolating; those surfaces intersect and then form volumes that represent three-dimensional geological objects such as rock bodies. In this paper, the most commonly used algorithms of the key techniques in 3D geological modeling are summarized. PMID:24772029

Conservative DEC Discretization of Incompressible Navier-Stokes Equations on Arbitrary Surface Simplicial Meshes

NASA Astrophysics Data System (ADS)

Mohamed, Mamdouh; Hirani, Anil; Samtaney, Ravi

2017-11-01

A conservative discretization of incompressible Navier-Stokes equations over surfaces is developed using discrete exterior calculus (DEC). The mimetic character of many of the DEC operators provides exact conservation of both mass and vorticity, in addition to superior kinetic energy conservation. The employment of signed diagonal Hodge star operators, while using the circumcentric dual defined on arbitrary meshes, is shown to produce correct solutions even when many non-Delaunay triangles pairs exist. This allows the DEC discretization to admit arbitrary surface simplicial meshes, in contrast to the previously held notion that DEC was limited only to Delaunay meshes. The discretization scheme is presented along with several numerical test cases demonstrating its numerical convergence and conservation properties. Recent developments regarding the extension to conservative higher order methods are also presented. KAUST Baseline Research Funds of R. Samtaney.

A PERFORMANCE EVALUATION OF THE ETA- CMAQ AIR QUALITY FORECAST SYSTEM FOR THE SUMMER OF 2005

EPA Science Inventory

This poster presents an evaluation of the Eta-CMAQ Air Quality Forecast System's experimental domain using O₃ observations obtained from EPA's AIRNOW program and a suite of statistical metrics examining both discrete and categorical forecasts.

Debond Analyses for Stitched Composite Structures

NASA Technical Reports Server (NTRS)

Glaessgen, E. H.; Raju, I. S.; Poe, C. C., Jr.

1998-01-01

The effect of stitching on mode I and mode II strain energy release rates for debond configurations is studied using an analysis based on plate finite elements and the virtual crack closure technique. The stitches were modeled as discrete nonlinear fastener elements with a compliance determined by experiment. The axial and shear behavior of the stitches was considered with both the compliances and failure loads assumed to be independent. The mode I strain energy release rate, G(sub I), was shown to decrease once the debond had grown beyond the first row of stitches and was reduced to zero for long debonds, however, the mode II strain energy release rate, G(sub II), continued to be of significant magnitude over the range of debond lengths considered.

DEM Particle Fracture Model

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

Zhang, Boning; Herbold, Eric B.; Homel, Michael A.

2015-12-01

An adaptive particle fracture model in poly-ellipsoidal Discrete Element Method is developed. The poly-ellipsoidal particle will break into several sub-poly-ellipsoids by Hoek-Brown fracture criterion based on continuum stress and the maximum tensile stress in contacts. Also Weibull theory is introduced to consider the statistics and size effects on particle strength. Finally, high strain-rate split Hopkinson pressure bar experiment of silica sand is simulated using this newly developed model. Comparisons with experiments show that our particle fracture model can capture the mechanical behavior of this experiment very well, both in stress-strain response and particle size redistribution. The effects of density andmore » packings o the samples are also studied in numerical examples.« less

Surface roughness manifestations of deep-seated landslide processes

NASA Astrophysics Data System (ADS)

Booth, A. M.; Roering, J. J.; Lamb, M. P.

2012-12-01

In many mountainous drainage basins, deep-seated landslides evacuate large volumes of sediment from small surface areas, leaving behind a strong topographic signature that sets landscape roughness over a range of spatial scales. At long spatial wavelengths of hundreds to thousands of meters, landslides tend to inhibit channel incision and limit topographic relief, effectively smoothing the topography at this length scale. However, at short spatial wavelengths on the order of meters, deformation of deep-seated landslides generates surface roughness that allows expert mappers or automated algorithms to distinguish landslides from the surrounding terrain. Here, we directly connect the characteristic spatial wavelengths and amplitudes of this fine scale surface roughness to the underlying landslide deformation processes. We utilize the two-dimensional wavelet transform with high-resolution, airborne LiDAR-derived digital elevation models to systematically document the characteristic length scales and amplitudes of different kinematic units within slow moving earthflows, a common type of deep-seated landslide. In earthflow source areas, discrete slumped blocks generate high surface roughness, reflecting an extensional deformation regime. In earthflow transport zones, where material translates with minimal surface deformation, roughness decreases as other surface processes quickly smooth short wavelength features. In earthflow depositional toes, compression folds and thrust faults again increase short wavelength surface roughness. When an earthflow becomes inactive, roughness in all of these kinematic zones systematically decreases with time, allowing relative dating of earthflow deposits. We also document how each of these roughness expressions depends on earthflow velocity, using sub-pixel change detection software (COSI-Corr) and pairs of orthorectified aerial photographs to determine spatially extensive landslide surface displacements. In source areas, the wavelength of slumped blocks tends to correlate with velocity as predicted by a simple sliding block model, but the amplitude is insensitive to velocity, suggesting that landslide depth rather than velocity sets this characteristic block amplitude. In both transport zones and depositional toes, the amplitude of the surface roughness is higher where the longitudinal gradient in velocity is higher, confirming that differential movement generates and maintains this fine scale roughness.

Rate equation analysis of hydrogen uptake on Si (100) surfaces

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

Inanaga, S.; Rahman, F.; Khanom, F.

2005-09-15

We have studied the uptake process of H on Si (100) surfaces by means of rate equation analysis. Flowers' quasiequilibrium model for adsorption and desorption of H [M. C. Flowers, N. B. H. Jonathan, A. Morris, and S. Wright, Surf. Sci. 396, 227 (1998)] is extended so that in addition to the H abstraction (ABS) and {beta}{sub 2}-channel thermal desorption (TD) the proposed rate equation further includes the adsorption-induced desorption (AID) and {beta}{sub 1}-TD. The validity of the model is tested by the experiments of ABS and AID rates in the reaction system H+D/Si (100). Consequently, we find it canmore » well reproduce the experimental results, validating the proposed model. We find the AID rate curve as a function of surface temperature T{sub s} exhibits a clear anti-correlation with the bulk dangling bond density versus T{sub s} curve reported in the plasma-enhanced chemical vapor deposition (CVD) for amorphous Si films. The significance of the H chemistry in plasma-enhanced CVD is discussed.« less

Experimental validation of a sub-surface model of solar power for distributed marine sensor systems

NASA Astrophysics Data System (ADS)

Hahn, Gregory G.; Cantin, Heather P.; Shafer, Michael W.

2016-04-01

The capabilities of distributed sensor systems such as marine wildlife telemetry tags could be significantly enhanced through the integration of photovoltaic modules. Photovoltaic cells could be used to supplement the primary batteries for wildlife telemetry tags to allow for extended tag deployments, wherein larger amounts of data could be collected and transmitted in near real time. In this article, we present experimental results used to validate and improve key aspects of our original model for sub-surface solar power. We discuss the test methods and results, comparing analytic predictions to experimental results. In a previous work, we introduced a model for sub-surface solar power that used analytic models and empirical data to predict the solar irradiance available for harvest at any depth under the ocean's surface over the course of a year. This model presented underwater photovoltaic transduction as a viable means of supplementing energy for marine wildlife telemetry tags. The additional data provided by improvements in daily energy budgets would enhance the temporal and spatial comprehension of the host's activities and/or environments. Photovoltaic transduction is one method that has not been widely deployed in the sub-surface marine environments despite widespread use on terrestrial and avian species wildlife tag systems. Until now, the use of photovoltaic cells for underwater energy harvesting has generally been disregarded as a viable energy source in this arena. In addition to marine telemetry systems, photovoltaic energy harvesting systems could also serve as a means of energy supply for autonomous underwater vehicles (AUVs), as well as submersible buoys for oceanographic data collection.

Computer simulation of surface and film processes

NASA Technical Reports Server (NTRS)

Tiller, W. A.; Halicioglu, M. T.

1983-01-01

Adequate computer methods, based on interactions between discrete particles, provide information leading to an atomic level understanding of various physical processes. The success of these simulation methods, however, is related to the accuracy of the potential energy function representing the interactions among the particles. The development of a potential energy function for crystalline SiO2 forms that can be employed in lengthy computer modelling procedures was investigated. In many of the simulation methods which deal with discrete particles, semiempirical two body potentials were employed to analyze energy and structure related properties of the system. Many body interactions are required for a proper representation of the total energy for many systems. Many body interactions for simulations based on discrete particles are discussed.

Discrete Jordan curve theorem

NASA Astrophysics Data System (ADS)

Chen, Li

1999-09-01

According to a general definition of discrete curves, surfaces, and manifolds (Li Chen, 'Generalized discrete object tracking algorithms and implementations, ' In Melter, Wu, and Latecki ed, Vision Geometry VI, SPIE Vol. 3168, pp 184 - 195, 1997.). This paper focuses on the Jordan curve theorem in 2D discrete spaces. The Jordan curve theorem says that a (simply) closed curve separates a simply connected surface into two components. Based on the definition of discrete surfaces, we give three reasonable definitions of simply connected spaces. Theoretically, these three definition shall be equivalent. We have proved the Jordan curve theorem under the third definition of simply connected spaces. The Jordan theorem shows the relationship among an object, its boundary, and its outside area. In continuous space, the boundary of an mD manifold is an (m - 1)D manifold. The similar result does apply to regular discrete manifolds. The concept of a new regular nD-cell is developed based on the regular surface point in 2D, and well-composed objects in 2D and 3D given by Latecki (L. Latecki, '3D well-composed pictures,' In Melter, Wu, and Latecki ed, Vision Geometry IV, SPIE Vol 2573, pp 196 - 203, 1995.).

Signatures of Hot Molecular Hydrogen Absorption from Protoplanetary Disks. I. Non-thermal Populations

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

Hoadley, Keri; France, Kevin; Arulanantham, Nicole

2017-09-01

The environment around protoplanetary disks (PPDs) regulates processes that drive the chemical and structural evolution of circumstellar material. We perform a detailed empirical survey of warm molecular hydrogen (H{sub 2}) absorption observed against H i-Ly α (Ly α : λ 1215.67) emission profiles for 22 PPDs, using archival Hubble Space Telescope ultraviolet (UV) spectra to identify H{sub 2} absorption signatures and quantify the column densities of H{sub 2} ground states in each sightline. We compare thermal equilibrium models of H{sub 2} to the observed H{sub 2} rovibrational level distributions. We find that, for the majority of targets, there is amore » clear deviation in high-energy states ( T {sub exc} ≳ 20,000 K) away from thermal equilibrium populations ( T (H{sub 2}) ≳ 3500 K). We create a metric to estimate the total column density of non-thermal H{sub 2} ( N (H{sub 2}){sub nLTE}) and find that the total column densities of thermal ( N (H{sub 2})) and N (H{sub 2}){sub nLTE} correlate for transition disks and targets with detectable C iv-pumped H{sub 2} fluorescence. We compare N (H{sub 2}) and N (H{sub 2}){sub nLTE} to circumstellar observables and find that N (H{sub 2}){sub nLTE} correlates with X-ray and far-UV luminosities, but no correlations are observed with the luminosities of discrete emission features (e.g., Ly α , C iv). Additionally, N (H{sub 2}) and N (H{sub 2}){sub nLTE} are too low to account for the H{sub 2} fluorescence observed in PPDs, so we speculate that this H{sub 2} may instead be associated with a diffuse, hot, atomic halo surrounding the planet-forming disk. We create a simple photon-pumping model for each target to test this hypothesis and find that Ly α efficiently pumps H{sub 2} levels with T {sub exc} ≥ 10,000 K out of thermal equilibrium.« less

Surface diffusion of Sb on Ge(111) investigated by second harmonic microscopy

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

Schultz, K.A.

Surface diffusion of Sb on Ge(111) has been measured with the newly-developed technique of second harmonic microscopy. In this method, concentration profiles at submonolayer coverage are imaged directly by second harmonic generation with 5 [mu]m spatial resolution. A Boltzmann-Matano analysis of the concentration profiles yields the coverage dependence of the diffusivity D without parameterization. Experiments were performed at roughly 70% of the bulk melting temperature T[sub m]. In the coverage range of 0 < [theta] < 0.6, the activation energy E[sub diff] remains constant at 47.5 [+-] 1.5 kcal/mol. The corresponding pre-exponential factor decreases from 8.7 [times] 10[sup 3[+-]0.4] tomore » 1.6 [times] 10[sup 2[+-]0.4] cm[sup 2]/sec. The results are explained in terms of a new vacancy model for surface diffusion at high-temperatures. The model accounts semiquantitatively for the large values of E[sub diff] and D[sub o], and suggest that these quantities may be manipulated by bulk doping levels and photon illumination of the surface.« less

Azole energetic materials: Initial mechanisms for the energy release from electronical excited nitropyrazoles

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

Yuan, Bing; Yu, Zijun; Bernstein, Elliot R., E-mail: erb@lamar.Colostate.edu

2014-01-21

Decomposition of energetic material 3,4-dinitropyrazole (DNP) and two model molecules 4-nitropyrazole and 1-nitropyrazole is investigated both theoretically and experimentally. The initial decomposition mechanisms for these three nitropyrazoles are explored with complete active space self-consistent field (CASSCF) level. The NO molecule is observed as an initial decomposition product from all three materials subsequent to UV excitation. Observed NO products are rotationally cold (<50 K) for all three systems. The vibrational temperature of the NO product from DNP is (3850 ± 50) K, 1350 K hotter than that of the two model species. Potential energy surface calculations at the CASSCF(12,8)/6-31+G(d) level illustratemore » that conical intersections plays an essential role in the decomposition mechanism. Electronically excited S{sub 2} nitropyraozles can nonradiatively relax to lower electronic states through (S{sub 2}/S{sub 1}){sub CI} and (S{sub 1}/S{sub 0}){sub CI} conical intersection and undergo a nitro-nitrite isomerization to generate NO product either in the S{sub 1} state or S{sub 0} state. In model systems, NO is generated in the S{sub 1} state, while in the energetic material DNP, NO is produced on the ground state surface, as the S{sub 1} decomposition pathway is energetically unavailable. The theoretically predicted mechanism is consistent with the experimental results, as DNP decomposes in a lower electronic state than do the model systems and thus the vibrational energy in the NO product from DNP should be hotter than from the model systems. The observed rotational energy distributions for NO are consistent with the final structures of the respective transition states for each molecule.« less

Structure and kinematics of segment-scale crustal accretion processes in Iceland and implications for analogous mid-ocean ridge systems

NASA Astrophysics Data System (ADS)

Siler, Drew Lorenz

2011-12-01

The sub-surface geologic structure of the crust is controlled by the magmatic and tectonic processes that construct the crust during plate spreading. As a result, geologic structure provides constraints on the processes that occur during plate spreading. The crust of the Skagi region of northern Iceland, where this study was focused, was accreted by magmatic construction to Iceland ˜7-10 Ma and subsequently glacially eroded, exhuming ˜1-3 km of structural relief. Continuous spreading-parallel and spreading-orthogonal mountain ranges expose the crust accreted at discrete spreading segments, the fundamental intervals upon which plate spreading and crustal accretion occur. As a result, Skagi is an ideal location to employ geologic structure analysis to study magmatic rifting processes. Within spreading segments structural patterns vary significantly between segment centers and distal fissure swarms. While segment centers are characterized by focused magmatic construction and km-scale sub-volcanic subsidence, fissure swarms are characterized by limited magmatic construction, minor sub-axial subsidence and lateral dike injection. Such along-strike variation indicates that both magma in the upper crust and gabbroic material in the lower crust must be redistributed along-strike within spreading segments during plate spreading. Material flow is directed from beneath segment centers towards distal fissure swarms. At the regional scale, each spreading segment is a structurally discrete interval of Iceland's Neovolcanic Zone. As a result of west-northwestward movement of Iceland relative to the Iceland hotspot, the rift zone axis has progressively relocated to the east-southeast with time, leaving a series of abandoned rift zones throughout western Iceland. A compilation of published K/Ar and 40Ar/39Ar age data and geologic data from across northern Iceland shows that rift relocation occurs via frequent (2-3 Ma), small-scale (˜20 km) rift propagations rather than rare, 100s of km 'rift jumps' as is conventional models suggest. The structure relationships we define in the Icelandic crust are similar to that of other magmatic rift systems including Mid-Ocean Ridges, continental rifts and ancient volcanic rift margins. As such, we suggest that many of the crustal accretion processes we have inferred from Icelandic data may be important in these analogous environments as well.

The effect of anthropogenic emissions corrections on the seasonal cycle of atmospheric CO2

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

Hoffman, Forrest M; Erickson III, David J; Blasing, T J

A previous study (Erickson et al. 2008) approximated the monthly global emission estimates of anthropogenic CO{sub 2} by applying a 2-harmonic Fourier expansion with coefficients as a function of latitude to annual CO{sub 2} flux estimates derived from United States data (Blasing et al. 2005) that were extrapolated globally. These monthly anthropogenic CO{sub 2} flux estimates were used to model atmospheric concentrations using the NASA GEOS-4 data assimilation system. Local variability in the amplitude of the simulated CO{sub 2} seasonal cycle were found to be on the order of 2-6 ppmv. Here we used the same Fourier expansion to seasonallymore » adjust the global annual fossil fuel CO{sub 2} emissions from the SRES A2 scenario. For a total of four simulations, both the annual and seasonalized fluxes were advected in two configurations of the NCAR Community Atmosphere Model (CAM) used in the Carbon-Land Model Intercomparison Project (C-LAMP). One configuration used the NCAR Community Land Model (CLM) coupled with the CASA (carbon only) biogeochemistry model and the other used CLM coupled with the CN (coupled carbon and nitrogen cycles) biogeochemistry model. All four simulations were forced with observed sea surface temperatures and sea ice concentrations from the Hadley Centre and a prescribed transient atmospheric CO{sub 2} concentration for the radiation and land forcing over the 20th century. The model results exhibit differences in the seasonal cycle of CO{sub 2} between the seasonally corrected and uncorrected simulations. Moreover, because of differing energy and water feedbacks between the atmosphere model and the two land biogeochemistry models, features of the CO{sub 2} seasonal cycle were different between these two model configurations. This study reinforces previous findings that suggest that regional near-surface atmospheric CO{sub 2} concentrations depend strongly on the natural sources and sinks of CO{sub 2}, but also on the strength of local anthropogenic CO{sub 2} emissions and geographic position. This work further attests to the need for remotely sensed CO{sub 2} observations from space.« less

Parameterization of N2O5 Reaction Probabilities on the Surface of Particles Containing Ammonium, Sulfate, and Nitrate

EPA Science Inventory

A comprehensive parameterization was developed for the heterogeneous reaction probability (γ) of N₂O₅ as a function of temperature, relative humidity, particle composition, and phase state, for use in advanced air quality models. The reaction probabilities o...

An XPS study on the chemical bond structure at the interface between SiO{sub x}N{sub y} and N doped polyethylene terephthalate

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

Ding Wanyu; Key Laboratory of Materials Modification by Laser, Ion and Electron Beams, Ministry of Education, Dalian University of Technology, Dalian 116024; Li Li

2013-03-14

The super-thin silicon oxynitride (SiO{sub x}N{sub y}) films were deposited onto the N doped polyethylene terephthalate (PET) surface. Varying the N doping parameters, the different chemical bond structures were obtained at the interface between the SiO{sub x}N{sub y} film and the PET surface. X-ray photoelectron spectra results showed that at the initial stage of SiO{sub x}N{sub y} film growth, the C=N bonds could be broken and C-N-Si crosslink bonds could be formed at the interface of SiO{sub x}N{sub y}/PET, which C=N bonds could be formed onto the PET surface during the N doping process. At these positions, the SiO{sub x}N{submore » y} film could be crosslinked well onto the PET surface. Meanwhile, the doped N could crosslink the [SiO{sub 4}] and [SiN{sub 4}] tetrahedrons, which could easily form the dense layer structure at the initial stage of SiO{sub x}N{sub y} film growth, instead of the ring and/or chain structures of [SiO{sub 4}] tetrahedrons crosslinked by O. Finally, from the point of applying SiO{sub x}N{sub y}/PET complex as the substrate, the present work reveals a simple way to crosslink them, as well as the crosslink model and physicochemical mechanism happened at the interface of complex.« less

A Discontinuous Galerkin Method for Parabolic Problems with Modified hp-Finite Element Approximation Technique

NASA Technical Reports Server (NTRS)

Kaneko, Hideaki; Bey, Kim S.; Hou, Gene J. W.

2004-01-01

A recent paper is generalized to a case where the spatial region is taken in R(sup 3). The region is assumed to be a thin body, such as a panel on the wing or fuselage of an aerospace vehicle. The traditional h- as well as hp-finite element methods are applied to the surface defined in the x - y variables, while, through the thickness, the technique of the p-element is employed. Time and spatial discretization scheme based upon an assumption of certain weak singularity of double vertical line u(sub t) double vertical line 2, is used to derive an optimal a priori error estimate for the current method.

Measurement of evapotranspiration with combined reflective and thermal infrared radiance observations

NASA Technical Reports Server (NTRS)

Hope, Allen S.

1993-01-01

The broad goal of the research summarized in this report was 'To facilitate the evaluation of regional evapotranspiration (ET) through the combined use of solar reflective and thermal infrared radiance observations.' The specific objectives stated by Goward and Hope (1986) were to: (1) investigate the nature of the relationship between surface temperature (T(sub S)) and the normalized difference vegetation index (NDVI) and develop an understanding of this relationship in terms of energy exchange processes, particularly latent flux heat (LE); (2) develop procedures to estimate large area LE using combined T(sub S) and NDVI observations obtained from AVHRR data; and (3) determine whether measurements derived from satellite observations relate directly to measurements made at the surface or from aircraft platforms. Both empirical and modeling studies were used to develop an understanding of the T(sub S)-NDVI relationship. Most of the modeling was based on the Tergra model as originally proposed by Goward. This model, and modified versions developed in this project, simulates the flows of water and energy in the soil-plant-atmosphere system using meteorological, soil and vegetation inputs. Model outputs are the diurnal course of soil moisture, T(sub S), LE and the other individual components of the surface energy balance.

Thermal remote sensing of surface soil water content with partial vegetation cover for incorporation into climate models

NASA Technical Reports Server (NTRS)

Gillies, Robert R.; Carlson, Toby N.

1995-01-01

This study outlines a method for the estimation of regional patterns of surface moisture availability (M(sub 0)) and fractional vegetation (Fr) in the presence of spatially variable vegetation cover. The method requires relating variations in satellite-derived (NOAA, Advanced Very High Resolution Radiometer (AVHRR)) surface radiant temperature to a vegetation index (computed from satellite visible and near-infrared data) while coupling this association to an inverse modeling scheme. More than merely furnishing surface soil moisture values, the method constitues a new conceptual and practical approach for combining thermal infrared and vegetation index measurements for incorporating the derived values of M(sub 0) into hydrologic and atmospheric prediction models. Application of the technique is demonstrated for a region in and around the city of Newcastle upon Tyne situated in the northeast of England. A regional estimate of M(sub 0) is derived and is probabbly good for fractional vegetation cover up to 80% before errors in the estimated soil water content become unacceptably large. Moreover, a normalization scheme is suggested from which a nomogram, `universal triangle,' is constructed and is seen to fit the observed data well. The universal triangle also simplifies the inclusion of remotely derived M(sub 0) in hydrology and meteorological models and is perhaps a practicable step toward integrating derived data from satellite measurements in weather forecasting.

Effect of manufacturing defects on optical performance of discontinuous freeform lenses.

PubMed

Wang, Kai; Liu, Sheng; Chen, Fei; Liu, Zongyuan; Luo, Xiaobing

2009-03-30

Discontinuous freeform lens based secondary optics are essential to LED illumination systems. Surface roughness and smooth transition between two discrete sub-surfaces are two of the most common manufacturing defects existing in discontinuous freeform lenses. The effects of these two manufacturing defects on the optical performance of two discontinuous freeform lenses were investigated by comparing the experimental results with the numerical simulation results based on Monte Carlo ray trace method. The results demonstrated that manufacturing defects induced surface roughness had small effect on the light output efficiency and the shape of light pattern of the PMMA lens but significantly affected the uniformity of light pattern, which declined from 0.644 to 0.313. The smooth transition surfaces with deviation angle more than 60 degrees existing in the BK7 glass lens, not only reduced the uniformity of light pattern, but also reduced the light output efficiency from 96.9% to 91.0% and heavily deformed the shape of the light pattern. Comparing with the surface roughness, the smooth transition surface had a much more adverse effect on the optical performance of discontinuous freeform lenses. Three methods were suggested to improve the illumination performance according to the analysis and discussion.

Lessons Learned from Assimilating Altimeter Data into a Coupled General Circulation Model with the GMAO Augmented Ensemble Kalman Filter

NASA Technical Reports Server (NTRS)

Keppenne, Christian; Vernieres, Guillaume; Rienecker, Michele; Jacob, Jossy; Kovach, Robin

2011-01-01

Satellite altimetry measurements have provided global, evenly distributed observations of the ocean surface since 1993. However, the difficulties introduced by the presence of model biases and the requirement that data assimilation systems extrapolate the sea surface height (SSH) information to the subsurface in order to estimate the temperature, salinity and currents make it difficult to optimally exploit these measurements. This talk investigates the potential of the altimetry data assimilation once the biases are accounted for with an ad hoc bias estimation scheme. Either steady-state or state-dependent multivariate background-error covariances from an ensemble of model integrations are used to address the problem of extrapolating the information to the sub-surface. The GMAO ocean data assimilation system applied to an ensemble of coupled model instances using the GEOS-5 AGCM coupled to MOM4 is used in the investigation. To model the background error covariances, the system relies on a hybrid ensemble approach in which a small number of dynamically evolved model trajectories is augmented on the one hand with past instances of the state vector along each trajectory and, on the other, with a steady state ensemble of error estimates from a time series of short-term model forecasts. A state-dependent adaptive error-covariance localization and inflation algorithm controls how the SSH information is extrapolated to the sub-surface. A two-step predictor corrector approach is used to assimilate future information. Independent (not-assimilated) temperature and salinity observations from Argo floats are used to validate the assimilation. A two-step projection method in which the system first calculates a SSH increment and then projects this increment vertically onto the temperature, salt and current fields is found to be most effective in reconstructing the sub-surface information. The performance of the system in reconstructing the sub-surface fields is particularly impressive for temperature, but not as satisfactory for salt.

Hyper-resistivity and electron thermal conductivity due to destroyed magnetic surfaces in axisymmetric plasma equilibria

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

Weening, R. H.

2012-06-15

In order to model the effects of small-scale current-driven magnetic fluctuations in a mean-field theoretical description of a large-scale plasma magnetic field B(x,t), a space and time dependent hyper-resistivity {Lambda}(x,t) can be incorporated into the Ohm's law for the parallel electric field E Dot-Operator B. Using Boozer coordinates, a theoretical method is presented that allows for a determination of the hyper-resistivity {Lambda}({psi}) functional dependence on the toroidal magnetic flux {psi} for arbitrary experimental steady-state Grad-Shafranov axisymmetric plasma equilibria, if values are given for the parallel plasma resistivity {eta}({psi}) and the local distribution of any auxiliary plasma current. Heat transport inmore » regions of plasma magnetic surfaces destroyed by resistive tearing modes can then be modeled by an electron thermal conductivity k{sub e}({psi})=({epsilon}{sub 0}{sup 2}m{sub e}/e{sup 2}){Lambda}({psi}), where e and m{sub e} are the electron charge and mass, respectively, while {epsilon}{sub 0} is the permittivity of free space. An important result obtained for axisymmetric plasma equilibria is that the {psi}{psi}-component of the metric tensor of Boozer coordinates is given by the relation g{sup {psi}{psi}}({psi}){identical_to}{nabla}{psi} Dot-Operator {nabla}{psi}=[{mu}{sub 0}G({psi})][{mu}{sub 0}I({psi})]/{iota}({psi}), with {mu}{sub 0} the permeability of free space, G({psi}) the poloidal current outside a magnetic surface, I({psi}) the toroidal current inside a magnetic surface, and {iota}({psi}) the rotational transform.« less

Dielectric properties of inorganic fillers filled epoxy thin film

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

Norshamira, A., E-mail: myra.arshad@gmail.com; Mariatti, M., E-mail: mariatti@usm.my

2015-07-22

The demand on the small size and high performance electronics has driven changes in the electronic packaging requirements from discrete capacitor to embedded capacitor. Embedded capacitor can improve electrical performance compared with discrete capacitor. This study aimed to achieve high dielectric of epoxy thin film composite that were targeted for application as embedded capacitor. In this study, inorganic fillers such as Calcium Copper Titanate (CCTO), Iron(III) Oxide (Fe{sub 2}O{sub 3}) and Titanium Dioxide (TiO{sub 2}) were loaded in epoxy system at 5 and 20vol%. Morphology and dielectric properties were investigated to identify the effect of fillers loading and types ofmore » fillers on the properties of epoxy thin film composite. Based on the study, CCTO with 20vol% loading was found to have good dielectric properties compared to other type of fillers.« less

Energy transport in weakly nonlinear wave systems with narrow frequency band excitation.

PubMed

Kartashova, Elena

2012-10-01

A novel discrete model (D model) is presented describing nonlinear wave interactions in systems with small and moderate nonlinearity under narrow frequency band excitation. It integrates in a single theoretical frame two mechanisms of energy transport between modes, namely, intermittency and energy cascade, and gives the conditions under which each regime will take place. Conditions for the formation of a cascade, cascade direction, conditions for cascade termination, etc., are given and depend strongly on the choice of excitation parameters. The energy spectra of a cascade may be computed, yielding discrete and continuous energy spectra. The model does not require statistical assumptions, as all effects are derived from the interaction of distinct modes. In the example given-surface water waves with dispersion function ω(2)=gk and small nonlinearity-the D model predicts asymmetrical growth of side-bands for Benjamin-Feir instability, while the transition from discrete to continuous energy spectrum, excitation parameters properly chosen, yields the saturated Phillips' power spectrum ~g(2)ω(-5). The D model can be applied to the experimental and theoretical study of numerous wave systems appearing in hydrodynamics, nonlinear optics, electrodynamics, plasma, convection theory, etc.

The electrical resistivity of rough thin films: A model based on electron reflection at discrete step edges

NASA Astrophysics Data System (ADS)

Zhou, Tianji; Zheng, Pengyuan; Pandey, Sumeet C.; Sundararaman, Ravishankar; Gall, Daniel

2018-04-01

The effect of the surface roughness on the electrical resistivity of metallic thin films is described by electron reflection at discrete step edges. A Landauer formalism for incoherent scattering leads to a parameter-free expression for the resistivity contribution from surface mound-valley undulations that is additive to the resistivity associated with bulk and surface scattering. In the classical limit where the electron reflection probability matches the ratio of the step height h divided by the film thickness d, the additional resistivity Δρ = √{3 /2 } /(g0d) × ω/ξ, where g0 is the specific ballistic conductance and ω/ξ is the ratio of the root-mean-square surface roughness divided by the lateral correlation length of the surface morphology. First-principles non-equilibrium Green's function density functional theory transport simulations on 1-nm-thick Cu(001) layers validate the model, confirming that the electron reflection probability is equal to h/d and that the incoherent formalism matches the coherent scattering simulations for surface step separations ≥2 nm. Experimental confirmation is done using 4.5-52 nm thick epitaxial W(001) layers, where ω = 0.25-1.07 nm and ξ = 10.5-21.9 nm are varied by in situ annealing. Electron transport measurements at 77 and 295 K indicate a linear relationship between Δρ and ω/(ξd), confirming the model predictions. The model suggests a stronger resistivity size effect than predictions of existing models by Fuchs [Math. Proc. Cambridge Philos. Soc. 34, 100 (1938)], Sondheimer [Adv. Phys. 1, 1 (1952)], Rossnagel and Kuan [J. Vac. Sci. Technol., B 22, 240 (2004)], or Namba [Jpn. J. Appl. Phys., Part 1 9, 1326 (1970)]. It provides a quantitative explanation for the empirical parameters in these models and may explain the recently reported deviations of experimental resistivity values from these models.

Fast method for reactor and feature scale coupling in ALD and CVD

DOEpatents

Yanguas-Gil, Angel; Elam, Jeffrey W.

2017-08-08

Transport and surface chemistry of certain deposition techniques is modeled. Methods provide a model of the transport inside nanostructures as a single-particle discrete Markov chain process. This approach decouples the complexity of the surface chemistry from the transport model, thus allowing its application under general surface chemistry conditions, including atomic layer deposition (ALD) and chemical vapor deposition (CVD). Methods provide for determination of determine statistical information of the trajectory of individual molecules, such as the average interaction time or the number of wall collisions for molecules entering the nanostructures as well as to track the relative contributions to thin-film growth of different independent reaction pathways at each point of the feature.

Effects of dynamically variable saturation and matrix-conduit coupling of flow in karst aquifers

USGS Publications Warehouse

Reimann, T.; Geyer, T.; Shoemaker, W.B.; Liedl, R.; Sauter, M.

2011-01-01

Well-developed karst aquifers consist of highly conductive conduits and a relatively low permeability fractured and/or porous rock matrix and therefore behave as a dual-hydraulic system. Groundwater flow within highly permeable strata is rapid and transient and depends on local flow conditions, i.e., pressurized or nonpressurized flow. The characterization of karst aquifers is a necessary and challenging task because information about hydraulic and spatial conduit properties is poorly defined or unknown. To investigate karst aquifers, hydraulic stresses such as large recharge events can be simulated with hybrid (coupled discrete continuum) models. Since existing hybrid models are simplifications of the system dynamics, a new karst model (ModBraC) is presented that accounts for unsteady and nonuniform discrete flow in variably saturated conduits employing the Saint-Venant equations. Model performance tests indicate that ModBraC is able to simulate (1) unsteady and nonuniform flow in variably filled conduits, (2) draining and refilling of conduits with stable transition between free-surface and pressurized flow and correct storage representation, (3) water exchange between matrix and variably filled conduits, and (4) discharge routing through branched and intermeshed conduit networks. Subsequently, ModBraC is applied to an idealized catchment to investigate the significance of free-surface flow representation. A parameter study is conducted with two different initial conditions: (1) pressurized flow and (2) free-surface flow. If free-surface flow prevails, the systems is characterized by (1) a time lag for signal transmission, (2) a typical spring discharge pattern representing the transition from pressurized to free-surface flow, and (3) a reduced conduit-matrix interaction during free-surface flow. Copyright 2011 by the American Geophysical Union.

Taylor O(h³) Discretization of ZNN Models for Dynamic Equality-Constrained Quadratic Programming With Application to Manipulators.

PubMed

Liao, Bolin; Zhang, Yunong; Jin, Long

2016-02-01

In this paper, a new Taylor-type numerical differentiation formula is first presented to discretize the continuous-time Zhang neural network (ZNN), and obtain higher computational accuracy. Based on the Taylor-type formula, two Taylor-type discrete-time ZNN models (termed Taylor-type discrete-time ZNNK and Taylor-type discrete-time ZNNU models) are then proposed and discussed to perform online dynamic equality-constrained quadratic programming. For comparison, Euler-type discrete-time ZNN models (called Euler-type discrete-time ZNNK and Euler-type discrete-time ZNNU models) and Newton iteration, with interesting links being found, are also presented. It is proved herein that the steady-state residual errors of the proposed Taylor-type discrete-time ZNN models, Euler-type discrete-time ZNN models, and Newton iteration have the patterns of O(h(3)), O(h(2)), and O(h), respectively, with h denoting the sampling gap. Numerical experiments, including the application examples, are carried out, of which the results further substantiate the theoretical findings and the efficacy of Taylor-type discrete-time ZNN models. Finally, the comparisons with Taylor-type discrete-time derivative model and other Lagrange-type discrete-time ZNN models for dynamic equality-constrained quadratic programming substantiate the superiority of the proposed Taylor-type discrete-time ZNN models once again.

Crosslinking of surface antibodies and Fc sub. gamma. receptors: Theory and application

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

Wofsy, C.; Goldstein, B.

1991-03-15

In an immune response, the crosslinking of surface immunoglobulin (sIg) on B cells by multiply-bound ligand activates a range of cell responses, culminating in the production of antibody-secreting cells. However, when the crosslinking agent is itself an antibody, B cell activation is inhibited. Solution antibody (IgG) can bind simultaneously to sIg and to another cell surface receptor, Fc{sub {gamma}}R, co-crosslinking' the distinct receptors. Experiments point to co-crosslinking as the inhibitory signal. It is not clear how co-crosslinking inhibits B cell stimulation. The authors construct and analyze a mathematical model aimed at clarifying the nature and mechanisms of action of themore » separate cell signals controlling B cell responses to antibodies. Basophils and mast cells respond to the crosslinking of cell surface antibody by releasing histamine. Like B cells, basophils also express FC{sub {gamma}}R. They use their model to analyze new data on the effect of antibody-induced co-crosslinking of the two types of receptor on this family of cells. Predictions of the model indicate that an observed difference between the response patterns induced by antibodies and by antibody fragments that cannot bind to FC{sub {gamma}}R can be explained if co-crosslinking is neither inhibitory nor stimulatory in this system.« less

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

Hasanah, Lilik, E-mail: lilikhasanah@upi.edu; Suhendi, Endi; Tayubi, Yuyu Rahmat

In this work we discuss the surface roughness of Si interface impact to the tunneling current of the Si/Si{sub 1-x}Ge{sub x}/Si heterojunction bipolar transistor. The Si interface surface roughness can be analyzed from electrical characteristics through the transversal electron velocity obtained as fitting parameter factor. The results showed that surface roughness increase as Ge content of virtual substrate increase This model can be used to investigate the effect of Ge content of the virtual substrate to the interface surface condition through current-voltage characteristic.

Light-Sharing Interface for dMiCE Detectors Using Sub-Surface Laser Engraving

PubMed Central

Hunter, William C. J.; Miyaoka, Robert S.; MacDonald, Lawrence; McDougald, Wendy; Lewellen, Thomas K.

2015-01-01

We have previously reported on dMiCE, a method of resolving depth or interaction (DOI) in a pair of discrete crystals by encoding light sharing properties as a function of depth in the interface of a crystal-element pair. A challenge for this method is the cost and repeatability of interface treatment for each crystal pair. In this work, we report our preliminary results on using sub-surface laser engraving (SSLE) as a means of forming this depth-dependent interface in a dMiCE detector. A surplus first-generation SSLE system was used to create a partially reflective layer 100-microns thick at the boundary between two halves of a 1.4-by-2.9-by-20 mm3 LYSO crystal. The boundary of these paired crystal elements was positioned between two 3-mm wide Silicon photomultiplier arrays. The responses of these two photodetectors were acquired for an ensemble of 511-keV photons collimated to interact at a fixed depth in just one crystal element. Interaction position was then varied to measure detector response as a function of depth, which was then used to maximum-likelihood positions. Despite use of sub-optimal SSLE processing we found an average DOI resolution of 3.4 mm for front-sided readout and 3.9 mm for back-sided readout while obtaining energy resolutions on the order of 10%. We expect DOI resolution can be improved significantly by optimizing the SSLE process and pattern. PMID:25914421

Light-Sharing Interface for dMiCE Detectors using Sub-Surface Laser Engraving.

PubMed

Hunter, William C J; Miyaoka, Robert S; MacDonald, Lawrence; McDougald, Wendy; Lewellen, Thomas K

2013-10-01

We have previously reported on dMiCE, a method of resolving depth or interaction (DOI) in a pair of discrete crystals by encoding light sharing properties as a function of depth in the interface of this crystal-element pair. A challenge for this method is the cost and repeatability of interface treatment for a crystal pair. In this work, we report our preliminary results on using sub-surface laser engraving (SSLE) as a means of forming this depth-dependent interface in a dMiCE detector. A surplus first-generation SSLE system was used to create a partially reflective layer 100-microns thick at the boundary between two halves of a 1.4-by-2.9-by-20 mmˆ3 LYSO crystal. The boundary of these paired crystal elements was positioned between two 3-mm wide Geiger-Müller avalanche photodiodes from Hamamatsu. The responses of these two photodetectors were acquired for an ensemble of 511-keV photons collimated to interact at a fixed depth in just one crystal element. Interaction position was then varied to measure detector response as a function of depth, which was then used to maximum-likelihood positions events. Despite use of sub-optimal SSLE processing we found an average DOI resolution of 3.4 mm for front-sided readout and 3.9 mm for back-sided readout. We expect DOI resolution can be improved significantly by optimizing the SSLE process and pattern.

Light-Sharing Interface for dMiCE Detectors using Sub-Surface Laser Engraving

PubMed Central

Hunter, William C.J.; Miyaoka, Robert S.; MacDonald, Lawrence; McDougald, Wendy; Lewellen, Thomas K.

2014-01-01

We have previously reported on dMiCE, a method of resolving depth or interaction (DOI) in a pair of discrete crystals by encoding light sharing properties as a function of depth in the interface of this crystal-element pair. A challenge for this method is the cost and repeatability of interface treatment for a crystal pair. In this work, we report our preliminary results on using sub-surface laser engraving (SSLE) as a means of forming this depth-dependent interface in a dMiCE detector. A surplus first-generation SSLE system was used to create a partially reflective layer 100-microns thick at the boundary between two halves of a 1.4-by-2.9-by-20 mmˆ3 LYSO crystal. The boundary of these paired crystal elements was positioned between two 3-mm wide Geiger-Müller avalanche photodiodes from Hamamatsu. The responses of these two photodetectors were acquired for an ensemble of 511-keV photons collimated to interact at a fixed depth in just one crystal element. Interaction position was then varied to measure detector response as a function of depth, which was then used to maximum-likelihood positions events. Despite use of sub-optimal SSLE processing we found an average DOI resolution of 3.4 mm for front-sided readout and 3.9 mm for back-sided readout. We expect DOI resolution can be improved significantly by optimizing the SSLE process and pattern. PMID:25506194

Light-Sharing Interface for dMiCE Detectors Using Sub-Surface Laser Engraving.

PubMed

Hunter, William C J; Miyaoka, Robert S; MacDonald, Lawrence; McDougald, Wendy; Lewellen, Thomas K

2015-02-06

We have previously reported on dMiCE, a method of resolving depth or interaction (DOI) in a pair of discrete crystals by encoding light sharing properties as a function of depth in the interface of a crystal-element pair. A challenge for this method is the cost and repeatability of interface treatment for each crystal pair. In this work, we report our preliminary results on using sub-surface laser engraving (SSLE) as a means of forming this depth-dependent interface in a dMiCE detector. A surplus first-generation SSLE system was used to create a partially reflective layer 100-microns thick at the boundary between two halves of a 1.4-by-2.9-by-20 mm 3 LYSO crystal. The boundary of these paired crystal elements was positioned between two 3-mm wide Silicon photomultiplier arrays. The responses of these two photodetectors were acquired for an ensemble of 511-keV photons collimated to interact at a fixed depth in just one crystal element. Interaction position was then varied to measure detector response as a function of depth, which was then used to maximum-likelihood positions. Despite use of sub-optimal SSLE processing we found an average DOI resolution of 3.4 mm for front-sided readout and 3.9 mm for back-sided readout while obtaining energy resolutions on the order of 10%. We expect DOI resolution can be improved significantly by optimizing the SSLE process and pattern.

Origin of the pulse-like signature of shallow long-period volcano seismicity

USGS Publications Warehouse

Chouet, Bernard A.; Dawson, Phillip B.

2016-01-01

Short-duration, pulse-like long-period (LP) events are a characteristic type of seismicity accompanying eruptive activity at Mount Etna in Italy in 2004 and 2008 and at Turrialba Volcano in Costa Rica and Ubinas Volcano in Peru in 2009. We use the discrete wave number method to compute the free surface response in the near field of a rectangular tensile crack embedded in a homogeneous elastic half space and to gain insights into the origin of the LP pulses. Two source models are considered, including (1) a vertical fluid-driven crack and (2) a unilateral tensile rupture growing at a fixed sub-Rayleigh velocity with constant opening on a vertical crack. We apply cross correlation to the synthetics and data to demonstrate that a fluid-driven crack provides a natural explanation for these data with realistic source sizes and fluid properties. Our modeling points to shallow sources (<1 km depth), whose signatures are representative of the Rayleigh pulse sampled at epicentral distances >∼1 km. While a slow-rupture failure provides another potential model for these events, the synthetics and resulting fits to the data are not optimal in this model compared to a fluid-driven source. We infer that pulse-like LP signatures are parts of the continuum of responses produced by shallow fluid-driven sources in volcanoes.

An integrated model for assessing both crop productivity and agricultural water resources at a large scale

NASA Astrophysics Data System (ADS)

Okada, M.; Sakurai, G.; Iizumi, T.; Yokozawa, M.

2012-12-01

Agricultural production utilizes regional resources (e.g. river water and ground water) as well as local resources (e.g. temperature, rainfall, solar energy). Future climate changes and increasing demand due to population increases and economic developments would intensively affect the availability of water resources for agricultural production. While many studies assessed the impacts of climate change on agriculture, there are few studies that dynamically account for changes in water resources and crop production. This study proposes an integrated model for assessing both crop productivity and agricultural water resources at a large scale. Also, the irrigation management to subseasonal variability in weather and crop response varies for each region and each crop. To deal with such variations, we used the Markov Chain Monte Carlo technique to quantify regional-specific parameters associated with crop growth and irrigation water estimations. We coupled a large-scale crop model (Sakurai et al. 2012), with a global water resources model, H08 (Hanasaki et al. 2008). The integrated model was consisting of five sub-models for the following processes: land surface, crop growth, river routing, reservoir operation, and anthropogenic water withdrawal. The land surface sub-model was based on a watershed hydrology model, SWAT (Neitsch et al. 2009). Surface and subsurface runoffs simulated by the land surface sub-model were input to the river routing sub-model of the H08 model. A part of regional water resources available for agriculture, simulated by the H08 model, was input as irrigation water to the land surface sub-model. The timing and amount of irrigation water was simulated at a daily step. The integrated model reproduced the observed streamflow in an individual watershed. Additionally, the model accurately reproduced the trends and interannual variations of crop yields. To demonstrate the usefulness of the integrated model, we compared two types of impact assessment of climate change on crop productivity in a watershed. The first was carried out by the large-scale crop model alone. The second was carried out by the integrated model of the large-scale crop model and the H08 model. The former projected that changes in temperature and precipitation due to future climate change would give rise to increasing the water stress in crops. Nevertheless, the latter projected that the increasing amount of agricultural water resources in the watershed would supply sufficient amount of water for irrigation, consequently reduce the water stress. The integrated model demonstrated the importance of taking into account the water circulation in watershed when predicting the regional crop production.

Growth Kinetics of the S Sub H Center on Magnesium Oxide Using Electron Paramagnetic Resonance

NASA Technical Reports Server (NTRS)

Jayne, J. P.

1971-01-01

Electron paramagnetic resonance spectroscopy was used to study the growth of S sub H centers on magnesium oxide powder which had hydrogen adsorbed on its surface. The centers were produced by ultraviolet radiation. The effects of both radiation intensity and hydrogen pressure were also studied. At constant hydrogen pressure and radiation dose, the initial S sub H center growth rate was found to be zero order. Beyond the initial region the growth rate deviated from zero order and finally approached saturation. The results are interpreted in terms of a model which assumes that the S sub H center is a hydrogen atom associated with a surface vacancy. Saturation appears to result from a limited supply of surface vacancies.

Dust cloud evolution in sub-stellar atmospheres via plasma deposition and plasma sputtering

NASA Astrophysics Data System (ADS)

Stark, C. R.; Diver, D. A.

2018-04-01

Context. In contemporary sub-stellar model atmospheres, dust growth occurs through neutral gas-phase surface chemistry. Recently, there has been a growing body of theoretical and observational evidence suggesting that ionisation processes can also occur. As a result, atmospheres are populated by regions composed of plasma, gas and dust, and the consequent influence of plasma processes on dust evolution is enhanced. Aim. This paper aims to introduce a new model of dust growth and destruction in sub-stellar atmospheres via plasma deposition and plasma sputtering. Methods: Using example sub-stellar atmospheres from DRIFT-PHOENIX, we have compared plasma deposition and sputtering timescales to those from neutral gas-phase surface chemistry to ascertain their regimes of influence. We calculated the plasma sputtering yield and discuss the circumstances where plasma sputtering dominates over deposition. Results: Within the highest dust density cloud regions, plasma deposition and sputtering dominates over neutral gas-phase surface chemistry if the degree of ionisation is ≳10-4. Loosely bound grains with surface binding energies of the order of 0.1-1 eV are susceptible to destruction through plasma sputtering for feasible degrees of ionisation and electron temperatures; whereas, strong crystalline grains with binding energies of the order 10 eV are resistant to sputtering. Conclusions: The mathematical framework outlined sets the foundation for the inclusion of plasma deposition and plasma sputtering in global dust cloud formation models of sub-stellar atmospheres.

Groundwater-surface water interactions across scales in a boreal landscape investigated using a numerical modelling approach

NASA Astrophysics Data System (ADS)

Jutebring Sterte, Elin; Johansson, Emma; Sjöberg, Ylva; Huseby Karlsen, Reinert; Laudon, Hjalmar

2018-05-01

Groundwater and surface-water interactions are regulated by catchment characteristics and complex inter- and intra-annual variations in climatic conditions that are not yet fully understood. Our objective was to investigate the influence of catchment characteristics and freeze-thaw processes on surface and groundwater interactions in a boreal landscape, the Krycklan catchment in Sweden. We used a numerical modelling approach and sub-catchment evaluation method to identify and evaluate fundamental catchment characteristics and processes. The model reproduced observed stream discharge patterns of the 14 sub-catchments and the dynamics of the 15 groundwater wells with an average accumulated discharge error of 1% (15% standard deviation) and an average groundwater-level mean error of 0.1 m (0.23 m standard deviation). We show how peatland characteristics dampen the effect of intense rain, and how soil freeze-thaw processes regulate surface and groundwater partitioning during snowmelt. With these results, we demonstrate the importance of defining, understanding and quantifying the role of landscape heterogeneity and sub-catchment characteristics for accurately representing catchment hydrological functioning.

In Vitro Spoilation of Silicone-Hydrogel Soft Contact Lenses in a Model-Blink Cell.

PubMed

Peng, Cheng-Chun; Fajardo, Neil P; Razunguzwa, Trust; Radke, Clayton J

2015-07-01

We developed an in vitro model-blink cell that reproduces the mechanism of in vivo fouling of soft contact lenses. In the model-blink cell, model tear lipid directly contacts the lens surface after forced aqueous rupture, mirroring the pre-lens tear-film breakup during interblink. Soft contact lenses are attached to a Teflon holder and immersed in artificial tear solution with protein, salts, and mucins. Artificial tear-lipid solution is spread over the air/tear interface as a duplex lipid layer. The aqueous tear film is periodically ruptured and reformed by withdrawing and reinjecting tear solution into the cell, mimicking the blink-rupture process. Fouled deposits appear on the lenses after cycling, and their compositions and spatial distributions are subsequently analyzed by optical microscopy, laser ablation electrospray ionization mass spectrometry, and two-photon fluorescence confocal scanning laser microscopy. Discrete deposit (white) spots with an average size of 20 to 300 μm are observed on the studied lenses, confirming what is seen in vivo and validating the in vitro model-blink cell. Targeted lipids (cholesterol) and proteins (albumin from bovine serum) are identified in the discrete surface deposits. Both lipid and protein occur simultaneously in the surface deposits and overlap with the white spots observed by optical microscopy. Additionally, lipid and protein penetrate into the bulk of tested silicone-hydrogel lenses, likely attributed to the bicontinuous microstructure of oleophilic silicone and hydrophilic polymer phases of the lens. In vitro spoilation of soft contact lenses is successfully achieved by the model-blink cell confirming the tear rupture/deposition mechanism of lens fouling. The model-blink cell provides a reliable laboratory tool for screening new antifouling lens materials, surface coatings, and care solutions.

Resolving the Chemically Discrete Structure of Synthetic Borophene Polymorphs.

PubMed

Campbell, Gavin P; Mannix, Andrew J; Emery, Jonathan D; Lee, Tien-Lin; Guisinger, Nathan P; Hersam, Mark C; Bedzyk, Michael J

2018-05-09

Atomically thin two-dimensional (2D) materials exhibit superlative properties dictated by their intralayer atomic structure, which is typically derived from a limited number of thermodynamically stable bulk layered crystals (e.g., graphene from graphite). The growth of entirely synthetic 2D crystals, those with no corresponding bulk allotrope, would circumvent this dependence upon bulk thermodynamics and substantially expand the phase space available for structure-property engineering of 2D materials. However, it remains unclear if synthetic 2D materials can exist as structurally and chemically distinct layers anchored by van der Waals (vdW) forces, as opposed to strongly bound adlayers. Here, we show that atomically thin sheets of boron (i.e., borophene) grown on the Ag(111) surface exhibit a vdW-like structure without a corresponding bulk allotrope. Using X-ray standing wave-excited X-ray photoelectron spectroscopy, the positions of boron in multiple chemical states are resolved with sub-angström spatial resolution, revealing that the borophene forms a single planar layer that is 2.4 Å above the unreconstructed Ag surface. Moreover, our results reveal that multiple borophene phases exhibit these characteristics, denoting a unique form of polymorphism consistent with recent predictions. This observation of synthetic borophene as chemically discrete from the growth substrate suggests that it is possible to engineer a much wider variety of 2D materials than those accessible through bulk layered crystal structures.

Discrete exterior calculus discretization of incompressible Navier-Stokes equations over surface simplicial meshes

NASA Astrophysics Data System (ADS)

Mohamed, Mamdouh S.; Hirani, Anil N.; Samtaney, Ravi

2016-05-01

A conservative discretization of incompressible Navier-Stokes equations is developed based on discrete exterior calculus (DEC). A distinguishing feature of our method is the use of an algebraic discretization of the interior product operator and a combinatorial discretization of the wedge product. The governing equations are first rewritten using the exterior calculus notation, replacing vector calculus differential operators by the exterior derivative, Hodge star and wedge product operators. The discretization is then carried out by substituting with the corresponding discrete operators based on the DEC framework. Numerical experiments for flows over surfaces reveal a second order accuracy for the developed scheme when using structured-triangular meshes, and first order accuracy for otherwise unstructured meshes. By construction, the method is conservative in that both mass and vorticity are conserved up to machine precision. The relative error in kinetic energy for inviscid flow test cases converges in a second order fashion with both the mesh size and the time step.

Discrete impurity band from surface danging bonds in nitrogen and phosphorus doped SiC nanowires

NASA Astrophysics Data System (ADS)

Li, Yan-Jing; Li, Shu-Long; Gong, Pei; Li, Ya-Lin; Cao, Mao-Sheng; Fang, Xiao-Yong

2018-04-01

The electronic structure and optical properties of the nitrogen and phosphorus doped silicon carbide nanowires (SiCNWs) are investigated using first-principle calculations based on density functional theory. The results show doping can change the type of the band gap and improve the conductivity. However, the doped SiCNWs form a discrete impurity levels at the Fermi energy, and the dispersion degree decreases with the diameter increasing. In order to reveal the root of this phenomenon, we hydrogenated the doped SiCNWs, found that the surface dangling bonds were saturated, and the discrete impurity levels are degeneracy, which indicates that the discrete impurity band of the doped SiCNWs is derived from the dangling bonds. The surface passivation can degenerate the impurity levels. Therefore, both doping and surface passivation can better improve the photoelectric properties of the SiCNWs. The result can provide additional candidates in producing nano-optoelectronic devices.

Discretized modeling of beads-on-a-string morphology from electrically driven, conducting, and viscoelastic polymer jets

NASA Astrophysics Data System (ADS)

Divvela, Mounica Jyothi; Joo, Yong Lak

2017-04-01

In this paper, we provide a theoretical investigation of axisymmetric instabilities observed during electrospinning, which lead to beads-on-a-string morphology. We used a discretized method to model the instability phenomena observed in the jet. We considered the fluid to be analogous to a bead-spring model. The motion of these beads is governed by the electrical, viscoelastic, surface tension, aerodynamic drag, and gravitational forces. The bead is perturbed at the nozzle, and the growth of the instability is observed over time, and along the length of the jet. We considered both lower electrical conducting polyisobutylene (PIB)-based Boger fluids and highly electrical conducting, polyethylene oxide (PEO)/water systems. In PIB fluids, the onset of the axisymmetric instability is predominantly based on the capillary mode, and the growth rate of the instability is decreased with the viscoelasticity of the jet. However, in the PEO/water system, the instability is electrically driven, and a significant increase in the growth rate of the instability is observed with the increase in the voltage. Our predictions from the discretized model are in good agreement with the previous linear stability analysis and experimental results. Our results also revealed the non-stationary behavior of the disturbance, where the amplitude of the perturbation is observed to be oscillating. Furthermore, we showed that the discretized model is also used to observe the non-axisymmetric behavior of the jet, which can be further used to study the bending instability in electrospinning.

Discrete choice modeling of season choice for Minnesota turkey hunters

USGS Publications Warehouse

Schroeder, Susan A.; Fulton, David C.; Cornicelli, Louis; Merchant, Steven S.

2018-01-01

Recreational turkey hunting exemplifies the interdisciplinary nature of modern wildlife management. Turkey populations in Minnesota have reached social or biological carrying capacities in many areas, and changes to turkey hunting regulations have been proposed by stakeholders and wildlife managers. This study employed discrete stated choice modeling to enhance understanding of turkey hunter preferences about regulatory alternatives. We distributed mail surveys to 2,500 resident turkey hunters. Results suggest that, compared to season structure and lotteries, additional permits and level of potential interference from other hunters most influenced hunter preferences for regulatory alternatives. Low hunter interference was preferred to moderate or high interference. A second permit issued only to unsuccessful hunters was preferred to no second permit or permits for all hunters. Results suggest that utility is not strictly defined by harvest or an individual's material gain but can involve preference for other outcomes that on the surface do not materially benefit an individual. Discrete stated choice modeling offers wildlife managers an effective way to assess constituent preferences related to new regulations before implementing them. 

Product layer development during sulfation and sulfidation of uncalcined limestone particles at elevated pressures

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

Zevenhoven, C.A.P.; Yrjas, K.P.; Hupa, M.M.

1998-07-01

Fluidized bed combustion or gasification allows for in-bed sulfur capture with a calcium-based sorbent such as limestone or dolomite. Sorbent particle size, porosity, internal surface, and their variation during conversion have great influence on the conversion of the sorbent. The uptake of SO{sub 2} and H{sub 2}S by five physically different limestones is discussed, for typical pressurized fluidized bed combustor or gasifier conditions: 850/950 C, 15/20 bar. Tests were done in a pressurized thermogravimetric apparatus (P-TGA), the size of the limestone particles was 250--300 {micro}m. It is stressed that the limestones remain uncalcined. A changing internal structure (CIS) model ismore » presented in which reaction kinetics and product layer diffusion are related to the intraparticle surface of reaction, instead of the outer particle surface as in unreacted shrinking core (USC)-type models. The random pore model was used for describing the changing internal pore and reaction surfaces. Rate parameters were extracted for all five limestones using the CIS model and a USC model with variable effective diffusivity. Differences in the sulfur capture performance of the limestones were evaluated. Plots of the CaSO{sub 4} or CaS product layer thickness as a function of conversion are given, and the relative importance of limestone porosity and internal surface is discussed.« less

Plastic deformation behaviors of Ni- and Zr-based bulk metallic glasses subjected to nanoindentation

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

Weizhong, Liang, E-mail: wzliang1966@126.com; Zhiliang, Ning; Zhenqian, Dang

2013-12-15

Plastic deformation behaviors of Ni{sub 42}Ti{sub 20}Zr{sub 21.5}Al{sub 8}Cu{sub 5}Si{sub 3.5} and Zr{sub 51}Ti{sub 5}Ni{sub 10}Cu{sub 25}Al{sub 9} bulk metallic glasses at room temperature were studied by nanoindentation testing and atomic force microscopy under equivalent indentation experimental conditions. The different chemical composition of these two bulk metallic glasses produced variant tendencies for displacement serrated flow to occur during the loading process. The nanoindentation strain rate was calculated as a function of indentation displacement in order to verify the occurrence of displacement serrated flow at different loading rates. Atomic force microscopy revealed decreasing numbers of discrete shear bands around the indentationmore » sites as loading rates increased from 0.025 to 2.5 mNs{sup −1}. Variations in plastic deformation behaviors between Ni and Zr-based glasses materials can be explained by the different metastable microstructures and thermal stabilities of the two materials. The mechanism governing plastic deformation of these metallic glasses was analyzed in terms of an established model of the shear transformation zone. - Highlights: • Plastic deformation of Ni- and Zr-based BMG is studied under identical conditions • Zr-based BMG undergoes a greater extent of plastic deformation than Ni-based BMG • Nanoindentation strain rate is studied to clarify variation in plastic deformation • Metastable microstructure, thermal stability affect BMG plastic deformation.« less

Thin film lubrication of hexadecane confined by iron and iron oxide surfaces: A crucial role of surface structure

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

Ta, D. T.; Tieu, A. K.; Zhu, H. T., E-mail: hongtao@uow.edu.au

2015-10-28

A comparative analysis of thin film lubrication of hexadecane between different iron and its oxide surfaces has been carried out using classical molecular dynamic simulation. An ab initio force-field, COMPASS, was applied for n-hexadecane using explicit atom model. An effective potential derived from density functional theory calculation was utilized for the interfacial interaction between hexadecane and the tribo-surfaces. A quantitative surface parameterization was introduced to investigate the influence of surface properties on the structure, rheological properties, and tribological performance of the lubricant. The results show that although the wall-fluid attraction of hexadecane on pure iron surfaces is significantly stronger thanmore » its oxides, there is a considerable reduction of shear stress of confined n-hexadecane film between Fe(100) and Fe(110) surfaces compared with FeO(110), FeO(111), Fe{sub 2}O{sub 3}(001), and Fe{sub 2}O{sub 3}(012). It was found that, in thin film lubrication of hexadecane between smooth iron and iron oxide surfaces, the surface corrugation plays a role more important than the wall-fluid adhesion strength.« less

Remote measurement of surface roughness, surface reflectance, and body reflectance with LiDAR.

PubMed

Li, Xiaolu; Liang, Yu

2015-10-20

Light detection and ranging (LiDAR) intensity data are attracting increasing attention because of the great potential for use of such data in a variety of remote sensing applications. To fully investigate the data potential for target classification and identification, we carried out a series of experiments with typical urban building materials and employed our reconstructed built-in-lab LiDAR system. Received intensity data were analyzed on the basis of the derived bidirectional reflectance distribution function (BRDF) model and the established integration method. With an improved fitting algorithm, parameters involved in the BRDF model can be obtained to depict the surface characteristics. One of these parameters related to surface roughness was converted to a most used roughness parameter, the arithmetical mean deviation of the roughness profile (R_a), which can be used to validate the feasibility of the BRDF model in surface characterizations and performance evaluations.

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

PubMed

Zibordi, Giuseppe

2016-03-21

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

Evaluating the Effects of Climate Change on Summertime Ozone using a Relative Response Factor approach for Policy Makers

EPA Science Inventory

The impact of climate change on surface level ozone is examined through a multi-scale modeling effort that linked global and regional climate models to drive air quality model simulations. Results are quantified in terms of the Relative Response Factor (RRF_E), which es...

Finite Difference Model of a Four-Electrode Conductivity Measurement System

DTIC Science & Technology

2016-05-27

for an infinite half space with electrodes placed on the air/media boundary : 1 Less...8) The left hand side of Equation (8) can be converted to a surface integral using Green’s theorem : − � ∇ ∙ �σ���∇ϕ...adjacent to a boundary between two conductivities. The discretized solutions for each face are summed to comprise the surface integral: − � σ

Evolution of the Contact Area with Normal Load for Rough Surfaces: from Atomic to Macroscopic Scales.

PubMed

Huang, Shiping

2017-11-13

The evolution of the contact area with normal load for rough surfaces has great fundamental and practical importance, ranging from earthquake dynamics to machine wear. This work bridges the gap between the atomic scale and the macroscopic scale for normal contact behavior. The real contact area, which is formed by a large ensemble of discrete contacts (clusters), is proven to be much smaller than the apparent surface area. The distribution of the discrete contact clusters and the interaction between them are key to revealing the mechanism of the contacting solids. To this end, Green's function molecular dynamics (GFMD) is used to study both how the contact cluster evolves from the atomic scale to the macroscopic scale and the interaction between clusters. It is found that the interaction between clusters has a strong effect on their formation. The formation and distribution of the contact clusters is far more complicated than that predicted by the asperity model. Ignorance of the interaction between them leads to overestimating the contacting force. In real contact, contacting clusters are smaller and more discrete due to the interaction between the asperities. Understanding the exact nature of the contact area with the normal load is essential to the following research on friction.

Evolution of the Contact Area with Normal Load for Rough Surfaces: from Atomic to Macroscopic Scales

NASA Astrophysics Data System (ADS)

Huang, Shiping

2017-11-01

The evolution of the contact area with normal load for rough surfaces has great fundamental and practical importance, ranging from earthquake dynamics to machine wear. This work bridges the gap between the atomic scale and the macroscopic scale for normal contact behavior. The real contact area, which is formed by a large ensemble of discrete contacts (clusters), is proven to be much smaller than the apparent surface area. The distribution of the discrete contact clusters and the interaction between them are key to revealing the mechanism of the contacting solids. To this end, Green's function molecular dynamics (GFMD) is used to study both how the contact cluster evolves from the atomic scale to the macroscopic scale and the interaction between clusters. It is found that the interaction between clusters has a strong effect on their formation. The formation and distribution of the contact clusters is far more complicated than that predicted by the asperity model. Ignorance of the interaction between them leads to overestimating the contacting force. In real contact, contacting clusters are smaller and more discrete due to the interaction between the asperities. Understanding the exact nature of the contact area with the normal load is essential to the following research on friction.

The Kaon B-parameter in mixed action chiral perturbation theory

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

Aubin, C.; /Columbia U.; Laiho, Jack

2006-09-01

We calculate the kaon B-parameter, B{sub K}, in chiral perturbation theory for a partially quenched, mixed action theory with Ginsparg-Wilson valence quarks and staggered sea quarks. We find that the resulting expression is similar to that in the continuum, and in fact has only two additional unknown parameters. At one-loop order, taste-symmetry violations in the staggered sea sector only contribute to flavor-disconnected diagrams by generating an {Omicron}(a{sup 2}) shift to the masses of taste-singlet sea-sea mesons. Lattice discretization errors also give rise to an analytic term which shifts the tree-level value of B{sub K} by an amount of {Omicron}(a{sup 2}).more » This term, however, is not strictly due to taste-breaking, and is therefore also present in the expression for B{sub K} for pure G-W lattice fermions. We also present a numerical study of the mixed B{sub K} expression in order to demonstrate that both discretization errors and finite volume effects are small and under control on the MILC improved staggered lattices.« less

Kaon B-parameter in mixed action chiral perturbation theory

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

Aubin, C.; Laiho, Jack; Water, Ruth S. van de

2007-02-01

We calculate the kaon B-parameter, B{sub K}, in chiral perturbation theory for a partially quenched, mixed-action theory with Ginsparg-Wilson valence quarks and staggered sea quarks. We find that the resulting expression is similar to that in the continuum, and in fact has only two additional unknown parameters. At 1-loop order, taste-symmetry violations in the staggered sea sector only contribute to flavor-disconnected diagrams by generating an O(a{sup 2}) shift to the masses of taste-singlet sea-sea mesons. Lattice discretization errors also give rise to an analytic term which shifts the tree-level value of B{sub K} by an amount of O(a{sup 2}). Thismore » term, however, is not strictly due to taste breaking, and is therefore also present in the expression for B{sub K} for pure Ginsparg-Wilson lattice fermions. We also present a numerical study of the mixed B{sub K} expression in order to demonstrate that both discretization errors and finite volume effects are small and under control on the MILC improved staggered lattices.« less

Nanocrystalline Si pathway induced unipolar resistive switching behavior from annealed Si-rich SiN{sub x}/SiN{sub y} multilayers

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

Jiang, Xiaofan; Ma, Zhongyuan, E-mail: zyma@nju.edu.cn; Yang, Huafeng

2014-09-28

Adding a resistive switching functionality to a silicon microelectronic chip is a new challenge in materials research. Here, we demonstrate that unipolar and electrode-independent resistive switching effects can be realized in the annealed Si-rich SiN{sub x}/SiN{sub y} multilayers with high on/off ratio of 10{sup 9}. High resolution transmission electron microscopy reveals that for the high resistance state broken pathways composed of discrete nanocrystalline silicon (nc-Si) exist in the Si nitride multilayers. While for the low resistance state the discrete nc-Si regions is connected, forming continuous nc-Si pathways. Based on the analysis of the temperature dependent I-V characteristics and HRTEM photos,more » we found that the break-and-bridge evolution of nc-Si pathway is the origin of resistive switching memory behavior. Our findings provide insights into the mechanism of the resistive switching behavior in nc-Si films, opening a way for it to be utilized as a material in Si-based memories.« less

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

USGS Publications Warehouse

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

2011-01-01

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

North Atlantic sub-decadal variability in climate models

NASA Astrophysics Data System (ADS)

Reintges, Annika; Martin, Thomas; Latif, Mojib; Park, Wonsun

2017-04-01

The North Atlantic Oscillation (NAO) is the dominant variability mode for the winter climate of the North Atlantic sector. During a positive (negative) NAO phase, the sea level pressure (SLP) difference between the subtropical Azores high and the subpolar Icelandic low is anomalously strong (weak). This affects, for example, temperature, precipitation, wind, and surface heat flux over the North Atlantic, and over large parts of Europe. In observations we find enhanced sub-decadal variability of the NAO index that goes along with a dipolar sea surface temperature (SST) pattern. The corresponding SLP and SST patterns are reproduced in a control experiment of the Kiel Climate Model (KCM). Large-scale air-sea interaction is suggested to be essential for the North Atlantic sub-decadal variability in the KCM. The Atlantic Meridional Overturning Circulation (AMOC) plays a key role, setting the timescale of the variability by providing a delayed negative feedback to the NAO. The interplay of the NAO and the AMOC on the sub-decadal timescale is further investigated in the CMIP5 model ensemble. For example, the average CMIP5 model AMOC pattern associated with sub-decadal variability is characterized by a deep-reaching dipolar structure, similar to the KCM's sub-decadal AMOC variability pattern. The results suggest that dynamical air-sea interactions are crucial to generate enhanced sub-decadal variability in the North Atlantic climate.

Application of the Baxter model for hard-spheres with surface adhesion to SANS data for the U(VI) - HNO{sub 3}, TBP-n-dodecane system.

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

Chiarizia, R.; Nash, K. L.; Jensen, M. P.

2003-11-11

Small-angle neutron scattering (SANS) data for the tri-n-butyl phosphate (TBP)-n-dodecane, HNO{sub 3}-UO{sub 2}(NO{sub 3}){sub 2} solvent extraction system have been interpreted using the Baxter model for hard spheres with surface adhesion. The increase in the scattering intensity in the low Q range observed when increasing amounts of HNO{sub 3} or UO{sub 2}(NO{sub 3}){sub 2} are transferred into the organic phase has been interpreted as arising from interactions between solute particles. The SANS data have been reproduced using a 12--16 {angstrom} diameter of the hard sphere, d{sub hs}, and a 5.6k{sub B}T-7.1k{sub B}T stickiness parameter, {tau}{sup -1}. When in contact withmore » an aqueous phase, TBP in n-dodecane forms small reverse micelles containing three TBP molecules. Upon extraction of water, HNO{sub 3}, and UO{sub 2}(NO{sub 3}){sub 2}, the swollen micelles interact through attractive forces between their polar cores with a potential energy of about 2k{sub B}T and an effective Hamaker constant of about 4k{sub B}T. The intermicellar attraction, under suitable conditions, leads to third-phase formation. Upon phase splitting, most of the solutes in the original organic phase (water, TBP, HNO{sub 3}, and UO{sub 2}(NO{sub 3}){sub 2}) separate in a continuous phase containing interspersed layers of n-dodecane.« less

Matrix theory interpretation of discrete light cone quantization string worldsheets

PubMed

Grignani; Orland; Paniak; Semenoff

2000-10-16

We study the null compactification of type-IIA string perturbation theory at finite temperature. We prove a theorem about Riemann surfaces establishing that the moduli spaces of infinite-momentum-frame superstring worldsheets are identical to those of branched-cover instantons in the matrix-string model conjectured to describe M theory. This means that the identification of string degrees of freedom in the matrix model proposed by Dijkgraaf, Verlinde, and Verlinde is correct and that its natural generalization produces the moduli space of Riemann surfaces at all orders in the genus expansion.

Diffraction peak profiles of surface relaxed spherical nanocrystals

NASA Astrophysics Data System (ADS)

Perez-Demydenko, C.; Scardi, P.

2017-09-01

A model is proposed for surface relaxation of spherical nanocrystals. Besides reproducing the primary effect of changing the average unit cell parameter, the model accounts for the inhomogeneous atomic displacement caused by surface relaxation and its effect on the diffraction line profiles. Based on three parameters with clear physical meanings - extension of the sub-coordination effect, maximum radial displacement due to sub-coordination, and effective hydrostatic pressure - the model also considers elastic anisotropy and provides parametric expressions of the diffraction line profiles directly applicable in data analysis. The model was tested on spherical nanocrystals of several fcc metals, matching atomic positions with those provided by Molecular Dynamics (MD) simulations based on embedded atom potentials. Agreement was also verified between powder diffraction patterns generated by the Debye scattering equation, using atomic positions from MD and the proposed model.

Reactivity of Transition Metals (Pd Pt Cu Ag Au) toward Molecular Hydrogen Dissociation: Extended Surfaces versus Particles Supported on TiC(001) or Small Is Not Always Better and Large Is Not Always Bad

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

Rodriguez J. A.; Gomez T.; Florez E.

2011-06-16

The reactivity of Pd{sub 4}, Pt{sub 4}, Cu{sub 4}, Ag{sub 4}, and Au{sub 4} clusters supported on TiC(001) toward molecular hydrogen dissociation has been studied by means of density functional based theory and periodic models and compared to that of the (111) and (001) surfaces. Pd{sub 4} and Pt{sub 4} interact rather strongly with the TiC(001) substrate, but the interaction of molecular hydrogen with the Pd{sub 4}/TiC and Pt{sub 4}/TiC systems is also very strong. As a consequence of the substantial admetal {leftrightarrow} carbide interactions, the adsorbed H{sub 2} molecule becomes more difficult to dissociate than on the corresponding extendedmore » (111) and (001) surfaces. Here, having a small supported particle does not lead to an enhanced chemical activity. On the contrary, for the Cu{sub 4}/TiC, Ag{sub 4}/TiC, and Au{sub 4}/TiC systems the combination of the small size of the particle and the polarization induced by the underlying carbide facilitates the dissociation of the hydrogen molecule with respect to the case of the extended surfaces. Here, the reduced size effectively enhances the activity of the supported particle. Thus, our results for the M(111), M(100), and M{sub 4}/TiC(001) systems show the complex interplay that can take place among the nature of the admetal, particle size effects, and support interactions.« less

Reactivity of Transition Metals (Pd, Pt, Cu, Ag, Au) toward Molecular Hydrogen Dissociation: Extended Surfaces versus Particles Supported on TiC(001) or Small Is Not Always Better and Large Is Not Always Bad

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

Rodriguez, J.A.; Gomez, T.; Florez, E.

2011-05-11

The reactivity of Pd{sub 4}, Pt{sub 4}, Cu{sub 4}, Ag{sub 4}, and Au{sub 4} clusters supported on TiC(001) toward molecular hydrogen dissociation has been studied by means of density functional based theory and periodic models and compared to that of the (111) and (001) surfaces. Pd{sub 4} and Pt{sub 4} interact rather strongly with the TiC(001) substrate, but the interaction of molecular hydrogen with the Pd{sub 4}/TiC and Pt{sub 4}/TiC systems is also very strong. As a consequence of the substantial admetal {leftrightarrow} carbide interactions, the adsorbed H{sub 2} molecule becomes more difficult to dissociate than on the corresponding extendedmore » (111) and (001) surfaces. Here, having a small supported particle does not lead to an enhanced chemical activity. On the contrary, for the Cu{sub 4}/TiC, Ag{sub 4}/TiC, and Au{sub 4}/TiC systems the combination of the small size of the particle and the polarization induced by the underlying carbide facilitates the dissociation of the hydrogen molecule with respect to the case of the extended surfaces. Here, the reduced size effectively enhances the activity of the supported particle. Thus, our results for the M(111), M(100), and M{sub 4}/TiC(001) systems show the complex interplay that can take place among the nature of the admetal, particle size effects, and support interactions.« less

Dust emission modelling around a stockpile by using computational fluid dynamics and discrete element method

NASA Astrophysics Data System (ADS)

Derakhshani, S. M.; Schott, D. L.; Lodewijks, G.

2013-06-01

Dust emissions can have significant effects on the human health, environment and industry equipment. Understanding the dust generation process helps to select a suitable dust preventing approach and also is useful to evaluate the environmental impact of dust emission. To describe these processes, numerical methods such as Computational Fluid Dynamics (CFD) are widely used, however nowadays particle based methods like Discrete Element Method (DEM) allow researchers to model interaction between particles and fluid flow. In this study, air flow over a stockpile, dust emission, erosion and surface deformation of granular material in the form of stockpile are studied by using DEM and CFD as a coupled method. Two and three dimensional simulations are respectively developed for CFD and DEM methods to minimize CPU time. The standard κ-ɛ turbulence model is used in a fully developed turbulent flow. The continuous gas phase and the discrete particle phase link to each other through gas-particle void fractions and momentum transfer. In addition to stockpile deformation, dust dispersion is studied and finally the accuracy of stockpile deformation results obtained by CFD-DEM modelling will be validated by the agreement with the existing experimental data.

Nonlinear diffusion filtering of the GOCE-based satellite-only MDT

NASA Astrophysics Data System (ADS)

Čunderlík, Róbert; Mikula, Karol

2015-04-01

A combination of the GRACE/GOCE-based geoid models and mean sea surface models provided by satellite altimetry allows modelling of the satellite-only mean dynamic topography (MDT). Such MDT models are significantly affected by a stripping noise due to omission errors of the spherical harmonics approach. Appropriate filtering of this kind of noise is crucial in obtaining reliable results. In our study we use the nonlinear diffusion filtering based on a numerical solution to the nonlinear diffusion equation on closed surfaces (e.g. on a sphere, ellipsoid or the discretized Earth's surface), namely the regularized surface Perona-Malik model. A key idea is that the diffusivity coefficient depends on an edge detector. It allows effectively reduce the noise while preserve important gradients in filtered data. Numerical experiments present nonlinear filtering of the satellite-only MDT obtained as a combination of the DTU13 mean sea surface model and GO_CONS_GCF_2_DIR_R5 geopotential model. They emphasize an adaptive smoothing effect as a principal advantage of the nonlinear diffusion filtering. Consequently, the derived velocities of the ocean geostrophic surface currents contain stronger signal.

A compatible high-order meshless method for the Stokes equations with applications to suspension flows

NASA Astrophysics Data System (ADS)

Trask, Nathaniel; Maxey, Martin; Hu, Xiaozhe

2018-02-01

A stable numerical solution of the steady Stokes problem requires compatibility between the choice of velocity and pressure approximation that has traditionally proven problematic for meshless methods. In this work, we present a discretization that couples a staggered scheme for pressure approximation with a divergence-free velocity reconstruction to obtain an adaptive, high-order, finite difference-like discretization that can be efficiently solved with conventional algebraic multigrid techniques. We use analytic benchmarks to demonstrate equal-order convergence for both velocity and pressure when solving problems with curvilinear geometries. In order to study problems in dense suspensions, we couple the solution for the flow to the equations of motion for freely suspended particles in an implicit monolithic scheme. The combination of high-order accuracy with fully-implicit schemes allows the accurate resolution of stiff lubrication forces directly from the solution of the Stokes problem without the need to introduce sub-grid lubrication models.

Quantum dynamics of water dissociative chemisorption on rigid Ni(111): An approximate nine-dimensional treatment

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

Jiang, Bin, E-mail: bjiangch@ustc.edu.cn, E-mail: hguo@unm.edu; Department of Chemistry and Chemical Biology, University of New Mexico, Albuquerque, New Mexico 87131; Song, Hongwei

The quantum dynamics of water dissociative chemisorption on the rigid Ni(111) surface is investigated using a recently developed nine-dimensional potential energy surface. The quantum dynamical model includes explicitly seven degrees of freedom of D{sub 2}O at fixed surface sites, and the final results were obtained with a site-averaging model. The mode specificity in the site-specific results is reported and analyzed. Finally, the approximate sticking probabilities for various vibrationally excited states of D{sub 2}O are obtained considering surface lattice effects and formally all nine degrees of freedom. The comparison with experiment reveals the inaccuracy of the density functional theory and suggestsmore » the need to improve the potential energy surface.« less

The effect of surface and interface on Neel transition temperature of low-dimensional antiferromagnetic materials

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

Zhang, Wen; Zhou, Zhaofeng, E-mail: zfzhou@xtu.edu.cn; Zhong, Yuan

2015-11-15

Incorporating the bond order-length-strength (BOLS) notion with the Ising premise, we have modeled the size dependence of the Neel transition temperature (T{sub N}) of antiferromagnetic nanomaterials. Reproduction of the size trends reveals that surface atomic undercoordination induces bond contraction, and interfacial hetero-coordination induces bond nature alteration. Both surface and interface of nanomaterials modulate the T{sub N} by adjusting the atomic cohesive energy. The T{sub N} is related to the atomic cohesive/exchange energy that is lowered by the coordination number (CN) imperfection of the undercoordinated atoms near the surface and altered by the changed bond nature of epitaxial interface. A numericalmore » match between predictions and measurements reveals that the T{sub N} of antiferromagnetic nanomaterials declines with reduced size and increases with both the strengthening of heterogeneous bond and the increase of the bond number.« less

Analytical approximation of a distorted reflector surface defined by a discrete set of points

NASA Technical Reports Server (NTRS)

Acosta, Roberto J.; Zaman, Afroz A.

1988-01-01

Reflector antennas on Earth orbiting spacecrafts generally cannot be described analytically. The reflector surface is subjected to a large temperature fluctuation and gradients, and is thus warped from its true geometrical shape. Aside from distortion by thermal stresses, reflector surfaces are often purposely shaped to minimize phase aberrations and scanning losses. To analyze distorted reflector antennas defined by discrete surface points, a numerical technique must be applied to compute an interpolatory surface passing through a grid of discrete points. In this paper, the distorted reflector surface points are approximated by two analytical components: an undistorted surface component and a surface error component. The undistorted surface component is a best fit paraboloid polynomial for the given set of points and the surface error component is a Fourier series expansion of the deviation of the actual surface points, from the best fit paraboloid. By applying the numerical technique to approximate the surface normals of the distorted reflector surface, the induced surface current can be obtained using physical optics technique. These surface currents are integrated to find the far field radiation pattern.

Sol–gel auto-combustion synthesis of PVP/CoFe{sub 2}O{sub 4} nanocomposite and its magnetic characterization

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

Kurtan, U.; Topkaya, R., E-mail: rtopkaya@gyte.edu.tr; Baykal, A.

2013-11-15

Graphical abstract: - Highlights: • The Poly(vinyl pyrrolidone) (PVP) was used as a surface capping agent. • PVP/CoFe{sub 2}O{sub 4} nanocomposite was synthesized by a sol-gel auto-combustion method. • The existence of the spin-disordered surface layer was established. - Abstract: Poly(vinyl pyrrolidone)/CoFe{sub 2}O{sub 4} nanocomposite has been fabricated by a sol–gel auto-combustion method. Poly(vinyl pyrrolidone) was used as a reducing agent as well as a surface capping agent to prevent particle aggregation and stabilize the particles. The average crystallite size estimated from X-ray line profile fitting was found to be 20 ± 7 nm. The high field irreversibility and unsaturatedmore » magnetization behaviours indicate the presence of the core–shell structure in the sample. The exchange bias effect observed at 10 K suggests the existence of the magnetically aligned core surrounded by spin-disordered surface layer. The reduced remanent magnetization value of 0.6 at 10 K (higher than the theoretical value of 0.5) shows the PVP/CoFe{sub 2}O{sub 4} nanocomposite to have cubic magnetocrystalline anisotropy according to the Stoner–Wohlfarth model.« less

Accurate green water loads calculation using naval hydro pack

NASA Astrophysics Data System (ADS)

Jasak, H.; Gatin, I.; Vukčević, V.

2017-12-01

An extensive verification and validation of Finite Volume based CFD software Naval Hydro based on foam-extend is presented in this paper for green water loads. Two-phase numerical model with advanced methods for treating the free surface is employed. Pressure loads on horizontal deck of Floating Production Storage and Offloading vessel (FPSO) model are compared to experimental results from [1] for three incident regular waves. Pressure peaks and integrals of pressure in time are measured on ten different locations on deck for each case. Pressure peaks and integrals are evaluated as average values among the measured incident wave periods, where periodic uncertainty is assessed for both numerical and experimental results. Spatial and temporal discretization refinement study is performed providing numerical discretization uncertainties.

Experimental confirmation of a PDE-based approach to design of feedback controls

NASA Technical Reports Server (NTRS)

Banks, H. T.; Smith, Ralph C.; Brown, D. E.; Silcox, R. J.; Metcalf, Vern L.

1995-01-01

Issues regarding the experimental implementation of partial differential equation based controllers are discussed in this work. While the motivating application involves the reduction of vibration levels for a circular plate through excitation of surface-mounted piezoceramic patches, the general techniques described here will extend to a variety of applications. The initial step is the development of a PDE model which accurately captures the physics of the underlying process. This model is then discretized to yield a vector-valued initial value problem. Optimal control theory is used to determine continuous-time voltages to the patches, and the approximations needed to facilitate discrete time implementation are addressed. Finally, experimental results demonstrating the control of both transient and steady state vibrations through these techniques are presented.

Non-local thermodynamic equilibrium 1.5D modeling of red giant stars

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

Young, Mitchell E.; Short, C. Ian, E-mail: myoung@ap.smu.ca

Spectra for two-dimensional (2D) stars in the 1.5D approximation are created from synthetic spectra of one-dimensional (1D) non-local thermodynamic equilibrium (NLTE) spherical model atmospheres produced by the PHOENIX code. The 1.5D stars have the spatially averaged Rayleigh-Jeans flux of a K3-4 III star while varying the temperature difference between the two 1D component models (ΔT {sub 1.5D}) and the relative surface area covered. Synthetic observable quantities from the 1.5D stars are fitted with quantities from NLTE and local thermodynamic equilibrium (LTE) 1D models to assess the errors in inferred T {sub eff} values from assuming horizontal homogeneity and LTE. Fivemore » different quantities are fit to determine the T {sub eff} of the 1.5D stars: UBVRI photometric colors, absolute surface flux spectral energy distributions (SEDs), relative SEDs, continuum normalized spectra, and TiO band profiles. In all cases except the TiO band profiles, the inferred T {sub eff} value increases with increasing ΔT {sub 1.5D}. In all cases, the inferred T {sub eff} value from fitting 1D LTE quantities is higher than from fitting 1D NLTE quantities and is approximately constant as a function of ΔT {sub 1.5D} within each case. The difference between LTE and NLTE for the TiO bands is caused indirectly by the NLTE temperature structure of the upper atmosphere, as the bands are computed in LTE. We conclude that the difference between T {sub eff} values derived from NLTE and LTE modeling is relatively insensitive to the degree of the horizontal inhomogeneity of the star being modeled and largely depends on the observable quantity being fit.« less

Sub-surface structure of La Soufrière of Guadeloupe lava dome deduced from a ground-based magnetic survey

NASA Astrophysics Data System (ADS)

Bouligand, Claire; Coutant, Olivier; Glen, Jonathan M. G.

2016-07-01

In this study, we present the analysis and interpretation of a new ground magnetic survey acquired at the Soufrière volcano on Guadeloupe Island. Observed short-wavelength magnetic anomalies are compared to those predicted assuming a constant magnetization within the sub-surface. The good correlation between modeled and observed data over the summit of the dome indicates that the shallow sub-surface displays relatively constant and high magnetization intensity. In contrast, the poor correlation at the base of the dome suggests that the underlying material is non- to weakly-magnetic, consistent with what is expected for a talus comprised of randomly oriented and highly altered and weathered boulders. The new survey also reveals a dipole anomaly that is not accounted for by a constant magnetization in the sub-surface and suggests the existence of material with decreased magnetization beneath the Soufrière lava dome. We construct simple models to constrain its dimensions and propose that this body corresponds to hydrothermally altered material within and below the dome. The very large inferred volume for such material may have implications on the stability of the dome.

Development of a modular streamflow model to quantify runoff contributions from different land uses in tropical urban environments using Genetic Programming

NASA Astrophysics Data System (ADS)

Meshgi, Ali; Schmitter, Petra; Chui, Ting Fong May; Babovic, Vladan

2015-06-01

The decrease of pervious areas during urbanization has severely altered the hydrological cycle, diminishing infiltration and therefore sub-surface flows during rainfall events, and further increasing peak discharges in urban drainage infrastructure. Designing appropriate waster sensitive infrastructure that reduces peak discharges requires a better understanding of land use specific contributions towards surface and sub-surface processes. However, to date, such understanding in tropical urban environments is still limited. On the other hand, the rainfall-runoff process in tropical urban systems experiences a high degree of non-linearity and heterogeneity. Therefore, this study used Genetic Programming to establish a physically interpretable modular model consisting of two sub-models: (i) a baseflow module and (ii) a quick flow module to simulate the two hydrograph flow components. The relationship between the input variables in the model (i.e. meteorological data and catchment initial conditions) and its overall structure can be explained in terms of catchment hydrological processes. Therefore, the model is a partial greying of what is often a black-box approach in catchment modelling. The model was further generalized to the sub-catchments of the main catchment, extending the potential for more widespread applications. Subsequently, this study used the modular model to predict both flow components of events as well as time series, and applied optimization techniques to estimate the contributions of various land uses (i.e. impervious, steep grassland, grassland on mild slope, mixed grasses and trees and relatively natural vegetation) towards baseflow and quickflow in tropical urban systems. The sub-catchment containing the highest portion of impervious surfaces (40% of the area) contributed the least towards the baseflow (6.3%) while the sub-catchment covered with 87% of relatively natural vegetation contributed the most (34.9%). The results from the quickflow module revealed average runoff coefficients between 0.12 and 0.80 for the various land uses and decreased from impervious (0.80), grass on steep slopes (0.56), grass on mild slopes (0.48), mixed grasses and trees (0.42) to relatively natural vegetation (0.12). The established modular model, reflecting the driving hydrological processes, enables the quantification of land use specific contributions towards the baseflow and quickflow components. This quantification facilitates the integration of water sensitive urban infrastructure for the sustainable development of water in tropical megacities.

Simulation of urban land surface temperature based on sub-pixel land cover in a coastal city

NASA Astrophysics Data System (ADS)

Zhao, Xiaofeng; Deng, Lei; Feng, Huihui; Zhao, Yanchuang

2014-11-01

The sub-pixel urban land cover has been proved to have obvious correlations with land surface temperature (LST). Yet these relationships have seldom been used to simulate LST. In this study we provided a new approach of urban LST simulation based on sub-pixel land cover modeling. Landsat TM/ETM+ images of Xiamen city, China on both the January of 2002 and 2007 were used to acquire land cover and then extract the transformation rule using logistic regression. The transformation possibility was taken as its percent in the same pixel after normalization. And cellular automata were used to acquire simulated sub-pixel land cover on 2007 and 2017. On the other hand, the correlations between retrieved LST and sub-pixel land cover achieved by spectral mixture analysis in 2002 were examined and a regression model was built. Then the regression model was used on simulated 2007 land cover to model the LST of 2007. Finally the LST of 2017 was simulated for urban planning and management. The results showed that our method is useful in LST simulation. Although the simulation accuracy is not quite satisfactory, it provides an important idea and a good start in the modeling of urban LST.

An optimized digital watermarking algorithm in wavelet domain based on differential evolution for color image.

PubMed

Cui, Xinchun; Niu, Yuying; Zheng, Xiangwei; Han, Yingshuai

2018-01-01

In this paper, a new color watermarking algorithm based on differential evolution is proposed. A color host image is first converted from RGB space to YIQ space, which is more suitable for the human visual system. Then, apply three-level discrete wavelet transformation to luminance component Y and generate four different frequency sub-bands. After that, perform singular value decomposition on these sub-bands. In the watermark embedding process, apply discrete wavelet transformation to a watermark image after the scrambling encryption processing. Our new algorithm uses differential evolution algorithm with adaptive optimization to choose the right scaling factors. Experimental results show that the proposed algorithm has a better performance in terms of invisibility and robustness.

Graphite fiber surface treatment to improve impact strength and fracture resistance in subsequent composites

NASA Technical Reports Server (NTRS)

Paul, J. T., Jr.; Buntin, G. A.

1982-01-01

Graphite (or carbon) fiber composite impact strength improvement was attempted by modifying the fiber surface. Elastomeric particles were made into lattices and deposited ionically on surface treated graphite fiber in an attempt to prepare a surface containing discrete rubber particles. With hard, nonelastomeric polystyrene discrete particle coverage was achieved. All the elastomeric containing lattices resulted in elastomer flow and filament agglomeration during drying.

Roughness Versus Charge Contributions to Representative Discrete Heterogeneity Underlying Mechanistic Prediction of Colloid Attachment, Detachment and Breakthrough-Elution Behavior Under Environmental Conditions.

NASA Astrophysics Data System (ADS)

Johnson, William; Farnsworth, Anna; Vanness, Kurt; Hilpert, Markus

2017-04-01

The key element of a mechanistic theory to predict colloid attachment in porous media under environmental conditions where colloid-collector repulsion exists (unfavorable conditions for attachment) is representation of the nano-scale surface heterogeneity (herein called discrete heterogeneity) that drives colloid attachment under unfavorable conditions. The observed modes of colloid attachment under unfavorable conditions emerge from simulations that incorporate discrete heterogeneity. Quantitative prediction of attachment (and detachment) requires capturing the sizes, spatial frequencies, and other properties of roughness asperities and charge heterodomains in discrete heterogeneity representations of different surfaces. The fact that a given discrete heterogeneity representation will interact differently with different-sized colloids as well as different ionic strengths for a given sized colloid allows backing out representative discrete heterogeneity via comparison of simulations to experiments performed across a range of colloid size, solution IS, and fluid velocity. This has been achieved on unfavorable smooth surfaces yielding quantitative prediction of attachment, and qualitative prediction of detachment in response to ionic strength or flow perturbations. Extending this treatment to rough surfaces, and representing the contributions of nanoscale roughness as well as charge heterogeneity is a focus of this talk. Another focus of this talk is the upscaling the pore scale simulations to produce contrasting breakthrough-elution behaviors at the continuum (column) scale that are observed, for example, for different-sized colloids, or same-sized colloids under different ionic strength conditions. The outcome of mechanistic pore scale simulations incorporating discrete heterogeneity and subsequent upscaling is that temporal processes such as blocking and ripening will emerge organically from these simulations, since these processes fundamentally stem from the limited sites available for attachment as represented in discrete heterogeneity.

Economics and planning in the veterinary undergraduate programme: a model for sub-Saharan Africa.

PubMed

Mlangwa, J E; Kisauzi, D N

1993-09-01

Veterinarians in sub-Saharan Africa work in resource-deficient environments. Decisions taken by veterinarians in this sub-region, on animal health, animal husbandry and public health issues, are therefore influenced by economic factors including macro-economic considerations related to the current structural adjustment programmes being implemented in the sub-region. In turn, decisions or advice given by veterinarians have socio-economic consequences on clients, on the effectiveness of the delivery systems for veterinary services and on the growth of national economies. For these reasons, economics and planning should be essential components of all modern veterinary undergraduate programmes in sub-Saharan Africa, in order to give veterinarians a basis for making decisions and giving advice which is both technically and economically sound. The authors argue that principles of livestock economics, livestock enterprise management, livestock investment analysis and economics of animal health care are necessary elements in economics and planning courses. They propose a division of these elements into discrete course units to allow for flexibility and adaptability to the different curriculum structures of schools in sub-Saharan Africa and, possibly, continuing professional development courses. The resource requirement for teaching the courses, the integration of the units in the undergraduate programme and the problems which are likely to be encountered in developing the courses are discussed.

Prediction of Nanoparticle and Colloid Attachment on Unfavorable Mineral Surfaces Using Representative Discrete Heterogeneity.

PubMed

Trauscht, Jacob; Pazmino, Eddy; Johnson, William P

2015-09-01

Despite several decades of research there currently exists no mechanistic theory to predict colloid attachment in porous media under environmental conditions where colloid-collector repulsion exists (unfavorable conditions for attachment). It has long been inferred that nano- to microscale surface heterogeneity (herein called discrete heterogeneity) drives colloid attachment under unfavorable conditions. Incorporating discrete heterogeneity into colloid-collector interaction calculations in particle trajectory simulations predicts colloid attachment under unfavorable conditions. As yet, discrete heterogeneity cannot be independently measured by spectroscopic or other approaches in ways directly relevant to colloid-surface interaction. This, combined with the fact that a given discrete heterogeneity representation will interact differently with differently sized colloids as well as different ionic strengths for a given sized colloid, suggests a strategy to back out representative discrete heterogeneity by a comparison of simulations to experiments performed across a range of colloid size, solution IS, and fluid velocity. This has recently been performed for interaction of carboxylate-modified polystyrene latex (CML) microsphere attachment to soda lime glass at pH 6.7 with NaCl electrolyte. However, extension to other surfaces, pH values, and electrolytes is needed. For this reason, the attachment of CML (0.25, 1.1, and 2.0 μm diameters) from aqueous suspension onto a variety of unfavorable mineral surfaces (soda lime glass, muscovite, and albite) was examined for pH values of 6.7 and 8.0), fluid velocities (1.71 × 10(-3) and 5.94 × 10(-3) m s(-1)), IS (6.0 and 20 mM), and electrolytes (NaCl, CaSO4, and multivalent mixtures). The resulting representative heterogeneities (heterodomain size and surface coverage, where heterodomain refers to nano- to microscale attractive domains) yielded colloid attachment predictions that were compared to predictions from existing applicable semiempirical expressions in order to examine the strengths and weaknesses of the discrete heterogeneity approach and opportunities for improvement.

Control System for Prosthetic Devices

NASA Technical Reports Server (NTRS)

Bozeman, Richard J. (Inventor)

1996-01-01

A control system and method for prosthetic devices is provided. The control system comprises a transducer for receiving movement from a body part for generating a sensing signal associated with that of movement. The sensing signal is processed by a linearizer for linearizing the sensing signal to be a linear function of the magnitude of the distance moved by the body part. The linearized sensing signal is normalized to be a function of the entire range of body part movement from the no-shrug position of the moveable body part through the full-shrg position of the moveable body part. The normalized signal is divided into a plurality of discrete command signals. The discrete command signals are used by typical converter devices which are in operational association with the prosthetic device. The converter device uses the discrete command signals for driving the moveable portions of the prosthetic device and its sub-prosthesis. The method for controlling a prosthetic device associated with the present invention comprises the steps of receiving the movement from the body part, generating a sensing signal in association with the movement of the body part, linearizing the sensing signal to be a linear function of the magnitude of the distance moved by the body part, normalizing the linear signal to be a function of the entire range of the body part movement, dividing the normalized signal into a plurality of discrete command signals, and implementing the plurality of discrete command signals for driving the respective moveable prosthesis device and its sub-prosthesis.

Control method for prosthetic devices

NASA Technical Reports Server (NTRS)

Bozeman, Richard J., Jr. (Inventor)

1995-01-01

A control system and method for prosthetic devices is provided. The control system comprises a transducer for receiving movement from a body part for generating a sensing signal associated with that movement. The sensing signal is processed by a linearizer for linearizing the sensing signal to be a linear function of the magnitude of the distance moved by the body part. The linearized sensing signal is normalized to be a function of the entire range of body part movement from the no-shrug position of the moveable body part. The normalized signal is divided into a plurality of discrete command signals. The discrete command signals are used by typical converter devices which are in operational association with the prosthetic device. The converter device uses the discrete command signals for driving the moveable portions of the prosthetic device and its sub-prosthesis. The method for controlling a prosthetic device associated with the present invention comprises the steps of receiving the movement from the body part, generating a sensing signal in association with the movement of the body part, linearizing the sensing signal to be a linear function of the magnitude of the distance moved by the body part, normalizing the linear signal to be a function of the entire range of the body part movement, dividing the normalized signal into a plurality of discrete command signals, and implementing the plurality of discrete command signals for driving the respective moveable prosthesis device and its sub-prosthesis.

Control system and method for prosthetic devices

NASA Technical Reports Server (NTRS)

Bozeman, Richard J., Jr. (Inventor)

1992-01-01

A control system and method for prosthetic devices is provided. The control system comprises a transducer for receiving movement from a body part for generating a sensing signal associated with that movement. The sensing signal is processed by a linearizer for linearizing the sensing signal to be a linear function of the magnitude of the distance moved by the body part. The linearized sensing signal is normalized to be a function of the entire range of body part movement from the no-shrug position of the movable body part through the full-shrug position of the movable body part. The normalized signal is divided into a plurality of discrete command signals. The discrete command signals are used by typical converter devices which are in operational association with the prosthetic device. The converter device uses the discrete command signals for driving the movable portions of the prosthetic device and its sub-prosthesis. The method for controlling a prosthetic device associated with the present invention comprises the steps of receiving the movement from the body part, generating a sensing signal in association with the movement of the body part, linearizing the sensing signal to be a linear function of the magnitude of the distance moved by the body part, normalizing the linear signal to be a function of the entire range of the body part movement, dividing the normalized signal into a plurality of discrete command signals, and implementing the plurality of discrete command signals for driving the respective movable prosthesis device and its sub-prosthesis.

Retention capacity of correlated surfaces.

PubMed

Schrenk, K J; Araújo, N A M; Ziff, R M; Herrmann, H J

2014-06-01

We extend the water retention model [C. L. Knecht et al., Phys. Rev. Lett. 108, 045703 (2012)] to correlated random surfaces. We find that the retention capacity of discrete random landscapes is strongly affected by spatial correlations among the heights. This phenomenon is related to the emergence of power-law scaling in the lake volume distribution. We also solve the uncorrelated case exactly for a small lattice and present bounds on the retention of uncorrelated landscapes.

Using the Multilayer Free-Surface Flow Model to Solve Wave Problems

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

Prokof’ev, V. A., E-mail: ProkofyevVA@vniig.ru

2017-01-15

A method is presented for changing over from a single-layer shallow-water model to a multilayer model with hydrostatic pressure profile and, then, to a multilayer model with nonhydrostatic pressure profile. The method does not require complex procedures for solving the discrete Poisson’s equation and features high computation efficiency. The results of validating the algorithm against experimental data critical for the numerical dissipation of the numerical scheme are presented. Examples are considered.

EVALUATION OF SEVERAL PM 2.5 FORECAST MODELS USING DATA COLLECTED DURING THE ICARTT/NEAQS 2004 FIELD STUDY

EPA Science Inventory

Real-time forecasts of PM_2.5 aerosol mass from seven air-quality forecast models (AQFMs) are statistically evaluated against observations collected in the northeastern U.S. and southeastern Canada from two surface networks and aircraft data during the summer of 2004 IC...

On small values of the Riemann zeta-function at Gram points

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

Korolev, M A

In this paper, we prove the existence of a large set of Gram points t{sub n} such that the values ζ(0.5+it{sub n}) are 'anomalously' close to zero. A lower bound for the negative 'discrete' moment of the Riemann zeta-function on the critical line is also given. Bibliography: 13 titles.

A fast algorithm for forward-modeling of gravitational fields in spherical coordinates with 3D Gauss-Legendre quadrature

NASA Astrophysics Data System (ADS)

Zhao, G.; Liu, J.; Chen, B.; Guo, R.; Chen, L.

2017-12-01

Forward modeling of gravitational fields at large-scale requires to consider the curvature of the Earth and to evaluate the Newton's volume integral in spherical coordinates. To acquire fast and accurate gravitational effects for subsurface structures, subsurface mass distribution is usually discretized into small spherical prisms (called tesseroids). The gravity fields of tesseroids are generally calculated numerically. One of the commonly used numerical methods is the 3D Gauss-Legendre quadrature (GLQ). However, the traditional GLQ integration suffers from low computational efficiency and relatively poor accuracy when the observation surface is close to the source region. We developed a fast and high accuracy 3D GLQ integration based on the equivalence of kernel matrix, adaptive discretization and parallelization using OpenMP. The equivalence of kernel matrix strategy increases efficiency and reduces memory consumption by calculating and storing the same matrix elements in each kernel matrix just one time. In this method, the adaptive discretization strategy is used to improve the accuracy. The numerical investigations show that the executing time of the proposed method is reduced by two orders of magnitude compared with the traditional method that without these optimized strategies. High accuracy results can also be guaranteed no matter how close the computation points to the source region. In addition, the algorithm dramatically reduces the memory requirement by N times compared with the traditional method, where N is the number of discretization of the source region in the longitudinal direction. It makes the large-scale gravity forward modeling and inversion with a fine discretization possible.

The Cancer Cluster - An unbound collection of groups

NASA Technical Reports Server (NTRS)

Geller, M. J.; Beers, T. C.; Bothun, G. D.; Huchra, J. P.

1983-01-01

A surface density contour map of the Cancer Cluster derived from galaxy counts in the Zwicky catalog is presented. The contour map shows that the galaxy distribution is clumpy. When this spatial distribution is combined with nearly complete velocity information, the clumps stand out more clearly; there are significant differences in the mean velocities of the clumps which exceed their internal velocity dispersions. The Cancer Cluster is not a proper 'cluster' but is a collection of discrete groups, each with a velocity dispersion of approximately 300 km/s, separating from one another with the cosmological flow. The mass-to-light ratio for galaxies in the main concentration is approximately 320 solar masses/solar luminosities (H sub 0 = 100 km/s Mpc).

Dynamic frequency tuning of electric and magnetic metamaterial response

DOEpatents

O'Hara, John F; Averitt, Richard; Padilla, Willie; Chen, Hou-Tong

2014-09-16

A geometrically modifiable resonator is comprised of a resonator disposed on a substrate, and a means for geometrically modifying the resonator. The geometrically modifiable resonator can achieve active optical and/or electronic control of the frequency response in metamaterials and/or frequency selective surfaces, potentially with sub-picosecond response times. Additionally, the methods taught here can be applied to discrete geometrically modifiable circuit components such as inductors and capacitors. Principally, controlled conductivity regions, using either reversible photodoping or voltage induced depletion activation, are used to modify the geometries of circuit components, thus allowing frequency tuning of resonators without otherwise affecting the bulk substrate electrical properties. The concept is valid over any frequency range in which metamaterials are designed to operate.

Changes in the extremes of the climate simulated by CCC GCM2 under CO{sub 2} doubling

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

Zwiers, F.W.; Kharin, V.V.

Changes due to CO{sub 2} doubling in the extremes of the surface climate as simulated by the second-generation circulation model of the Canadian Centre for Climate Modelling and Analysis are studied in two 20-yr equilibrium simulations. Extreme values of screen temperature, precipitation, and near-surface wind in the control climate are compared to those estimated from 17 yr of the NCEP-NCAR reanalysis data and from some Canadian station data. The extremes of screen temperature are reasonably well reproduced in the control climate. Their changes under CO{sub 2} doubling can be connected with other physical changes such as surface albedo changes duemore » to the reduction of snow and sea ice cover as well as a decrease of soil moisture in the warmer world. The signal in the extremes of daily precipitation and near-surface wind speed due to CO{sub 2} doubling is less obvious. The precipitation extremes increase almost everywhere over the globe. The strongest change, over northwest India, is related to the intensification of the summer monsoon in this region in the warmer world. The modest reduction of wind extremes in the Tropics and middle latitudes is consistent with the reduction of the meridional temperature gradient in the 2{times}CO{sub 2} climate. The larger wind extremes occur in the areas where sea ice has retreated.« less

The wet solidus of silica: Predictions from the scaled particle theory and polarized continuum model

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

Ottonello, G., E-mail: giotto@dipteris.unige.it; Vetuschi Zuccolini, M.; Richet, P.

2015-02-07

We present an application of the Scaling Particle Theory (SPT) coupled with an ab initio assessment of the electronic, dispersive, and repulsive energy terms based on the Polarized Continuum Model (PCM) aimed at reproducing the observed solubility behavior of OH{sub 2} over the entire compositional range from pure molten silica to pure water and wide pressure and temperature regimes. It is shown that the solution energy is dominated by cavitation terms, mainly entropic in nature, which cause a large negative solution entropy and a consequent marked increase of gas phase fugacity with increasing temperatures. Besides, the solution enthalpy is negativemore » and dominated by electrostatic terms which depict a pseudopotential well whose minimum occurs at a low water fraction (X{sub H{sub 2O}}) of about 6 mol. %. The fine tuning of the solute-solvent interaction is achieved through very limited adjustments of the electrostatic scaling factor γ{sub el} which, in pure water, is slightly higher than the nominal value (i.e., γ{sub el}  =  1.224 against 1.2), it attains its minimum at low H{sub 2}O content (γ{sub el} = 0.9958) and then rises again at infinite dilution (γ{sub el}   =  1.0945). The complex solution behavior is interpreted as due to the formation of energetically efficient hydrogen bonding when OH functionals are in appropriate amount and relative positioning with respect to the discrete OH{sub 2} molecules, reinforcing in this way the nominal solute-solvent inductive interaction. The interaction energy derived from the SPT-PCM calculations is then recast in terms of a sub-regular Redlich-Kister expansion of appropriate order whereas the thermodynamic properties of the H{sub 2}O component at its standard state (1-molal solution referred to infinite dilution) are calculated from partial differentiation of the solution energy over the intensive variables.« less

Sub-core permeability and relative permeability characterization with Positron Emission Tomography

NASA Astrophysics Data System (ADS)

Zahasky, C.; Benson, S. M.

2017-12-01

This study utilizes preclinical micro-Positron Emission Tomography (PET) to image and quantify the transport behavior of pulses of a conservative aqueous radiotracer injected during single and multiphase flow experiments in a Berea sandstone core with axial parallel bedding heterogeneity. The core is discretized into streamtubes, and using the micro-PET data, expressions are derived from spatial moment analysis for calculating sub-core scale tracer flux and pore water velocity. Using the flux and velocity data, it is then possible to calculate porosity and saturation from volumetric flux balance, and calculate permeability and water relative permeability from Darcy's law. Full 3D simulations are then constructed based on this core characterization. Simulation results are compared with experimental results in order to test the assumptions of the simple streamtube model. Errors and limitations of this analysis will be discussed. These new methods of imaging and sub-core permeability and relative permeability measurements enable experimental quantification of transport behavior across scales.

Pore-level numerical analysis of the infrared surface temperature of metallic foam

NASA Astrophysics Data System (ADS)

Li, Yang; Xia, Xin-Lin; Sun, Chuang; Tan, He-Ping; Wang, Jing

2017-10-01

Open-cell metallic foams are increasingly used in various thermal systems. The temperature distributions are significant for the comprehensive understanding of these foam-based engineering applications. This study aims to numerically investigate the modeling of the infrared surface temperature (IRST) of open-cell metallic foam measured by an infrared camera placed above the sample. Two typical approaches based on Backward Monte Carlo simulation are developed to estimate the IRSTs: the first one, discrete-scale approach (DSA), uses a realistic discrete representation of the foam structure obtained from a computed tomography reconstruction while the second one, continuous-scale approach (CSA), assumes that the foam sample behaves like a continuous homogeneous semi-transparent medium. The radiative properties employed in CSA are directly determined by a ray-tracing process inside the discrete foam representation. The IRSTs for different material properties (material emissivity, specularity parameter) are computed by the two approaches. The results show that local IRSTs can vary according to the local compositions of the foam surface (void and solid). The temperature difference between void and solid areas is gradually attenuated with increasing material emissivity. In addition, the annular void space near to the foam surface behaves like a black cavity for thermal radiation, which is ensued by copious neighboring skeletons. For most of the cases studied, the mean IRSTs computed by the DSA and CSA are close to each other, except when the material emissivity is highly weakened and the sample temperature is extremely high.

Linkage Of A Finite Element Flow Model With A Soil Moisture Model: Challanges Under Semiarid Conditions

NASA Astrophysics Data System (ADS)

Roediger, T.; Siebert, C.; Krause, P.

2008-12-01

The arid to semiarid Middle East is a region of extreme growth of population. Hence, the rare and over- expoitated water resources in that region have to be more protected against antropogenic and geogenic pollution. One way to help solving that complex issue is to develop an intelligent and integrated strategy to manage all available water resources, which is the aim of the multilateral SMART-project in the Lower Jordan Valley. To generate such an IWRM, all water resources (groundwater, surface runoff, waste water) of the valley and its shoulders have to be quanti- and qualitatively evaluated. The strategy of SMART is to upscale knowledge, extracted from local catchment areas to the project scale, which covers the area between Sea of Galilee, Jerusalem, Dead Sea and Amman. The study areas of the here presented sub-project are the Wadis Qilt (Palestine) and Al Arab (Jordan). The aim of the sub-project is to evaluate natural resources on catchment scale by combining hydrochemical and hydraulical methods to develop a high precision model. Concerning the quantification of the system, two seperated models will be linked: a numerical finite element flow-model for the groundwater passage and a new devolped hydrological model JAMS, which is excellently prepared for humid conditions. The power of JAMS is the highly accurate assessment of soil moisture balance and consequently of surface runoff and groundwater recharge. However, the empirical equations and input parameters have to be adjusted onto the conditions of the semiarid Wadi Al Arab and the arid Wadi Qilt. After the adaption of JAMS, the spatially and temporarily differentiated calculation of runoff and groundwater recharge is possible. Beside climatic gradients, the key issue is, to correctly evaluate the evapotranspiration in respect to the different classes of landuse. In the study area Wadi Al Arab, the groundwater recharge was calculated as area-indicated output parameter of JAMS. This output was used to be the spatial differentiated input parameter of the numerical flow model. The advantage is the direct comparability of the finite-element meshs of JAMS and FeFlow. However, the individual definitions of values (recharge, base flow, exfiltration of JAMS, infiltration of FeFlow, etc.) of both models have to be linked by an interface between both systems. One of the biggest challenges is the temporal discretization of recharge between leaving soilcrust and entering groundwater table. In fact, the target was to evaluate the effects of retardation of the unsaturated zone in dependence to the hydraulic parameters of the entire groundwater reservoir.

Kinetic multi-layer model of aerosol surface and bulk chemistry (KM-SUB): the influence of interfacial transport and bulk diffusion on the oxidation of oleic acid by ozone

NASA Astrophysics Data System (ADS)

Shiraiwa, Manabu; Pfrang, Christian; Pöschl, Ulrich

2010-05-01

Aerosols are ubiquitous in the atmosphere and have strong effects on climate and public health. Gas-particle interactions can significantly change the physical and chemical properties of aerosols such as toxicity, reactivity, hygroscopicity and radiative properties. Chemical reactions and mass transport lead to continuous transformation and changes in the composition of atmospheric aerosols ("chemical aging"). Resistor model formulations are widely used to describe and investigate heterogeneous reactions and multiphase processes in laboratory, field and model studies of atmospheric chemistry. The traditional resistor models, however, are usually based on simplifying assumptions such as steady state conditions, homogeneous mixing, and limited numbers of non-interacting species and processes. In order to overcome these limitations, Pöschl, Rudich and Ammann have developed a kinetic model framework (PRA framework) with a double-layer surface concept and universally applicable rate equations and parameters for mass transport and chemical reactions at the gas-particle interface of aerosols and clouds [1]. Based on the PRA framework, we present a novel kinetic multi-layer model that explicitly resolves mass transport and chemical reaction at the surface and in the bulk of aerosol particles (KM-SUB) [2]. The model includes reversible adsorption, surface reactions and surface-bulk exchange as well as bulk diffusion and reaction. Unlike earlier models, KM-SUB does not require simplifying assumptions about steady-state conditions and radial mixing. The temporal evolution and concentration profiles of volatile and non-volatile species at the gas-particle interface and in the particle bulk can be modeled along with surface concentrations and gas uptake coefficients. In this study we explore and exemplify the effects of bulk diffusion on the rate of reactive gas uptake for a simple reference system, the ozonolysis of oleic acid particles, in comparison to experimental data and earlier model studies. We demonstrate how KM-SUB can be used to interpret and analyze experimental data from laboratory studies, and how the results can be extrapolated to atmospheric conditions. In particular, we show how interfacial transport and bulk transport, i.e., surface accommodation, bulk accommodation and bulk diffusion, influence the kinetics of the chemical reaction. Sensitivity studies suggest that in fine air particulate matter oleic acid and compounds with similar reactivity against ozone (C=C double bonds) can reach chemical life-times of multiple hours only if they are embedded in a (semi-)solid matrix with very low diffusion coefficients (~10-10 cm2 s-1). Depending on the complexity of the investigated system, unlimited numbers of volatile and non-volatile species and chemical reactions can be flexibly added and treated with KM-SUB. We propose and intend to pursue the application of KM-SUB as a basis for the development of a detailed master mechanism of aerosol chemistry as well as for the derivation of simplified but realistic parameterizations for large-scale atmospheric and climate models. References [1] Pöschl et al., Atmos. Chem. and Phys., 7, 5989-6023 (2007). [2] Shiraiwa et al., Atmos. Chem. Phys. Discuss., 10, 281-326 (2010).

Angular distributions for a model system of nonadiabatic molecular collisions: The quenching of Na*(3p) by H/sub 2/ and D/sub 2/

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

Reiland, W.; Tittes, U.; Hertel, I.V.

Angular distributions for the electronic to vibrational rotational and translational energy (E-VRT) transfer process Na*(3p)+H/sub 2/,D/sub 2/..-->..Na(3s)+H/sub 2/(v',j') with product energy analysis have been measured for the first time. The differential cross sections are forward peaked, constant but small between 35/sup 0/ and 160/sup 0/ and very slightly increasing at 180/sup 0/. The observations can be qualitatively understood by a simple model for the particle motion on the attractive A/sup 2/B/sub 2/ excited-state surface with a hop to the repulsive X/sup 2/A/sub 1/ ground state.

A four-layer model for the heat budget of homogeneous land surfaces

NASA Technical Reports Server (NTRS)

Choudhury, B. J.; Monteith, J. L.

1988-01-01

The present model envisions the heat balance of a homogeneous land surface in terms of available energy, a set of driving potentials, and parameters for the physical state of the soil and vegetation. Two unique features of the model are: (1) the expression of the interaction of evaporation from the soil and from foliage by changes in the value of the saturation vapor pressure deficit of air in the canopy (the conclusions of this interaction being consistent with field observations); and (2) the treatment of sensible and latent heat exchange between the atmosphere and a soil consisting of two discrete layers.

Seismic response of rock slopes: Numerical investigations on the role of internal structure

NASA Astrophysics Data System (ADS)

Arnold, L.; Applegate, K.; Gibson, M.; Wartman, J.; Adams, S.; Maclaughlin, M.; Smith, S.; Keefer, D. K.

2013-12-01

The stability of rock slopes is significantly influenced and often controlled by the internal structure of the slope created by such discontinuities as joints, shear zones, and faults. Under seismic conditions, these discontinuities influence both the resistance of a slope to failure and its response to dynamic loading. The dynamic response, which can be characterized by the slope's natural frequency and amplification of ground motion, governs the loading experienced by the slope in a seismic event and, therefore, influences the slope's stability. In support of the Network for Earthquake Engineering Simulation (NEES) project Seismically-Induced Rock Slope Failure: Mechanisms and Prediction (NEESROCK), we conducted a 2D numerical investigation using the discrete element method (DEM) coupled with simple discrete fracture networks (DFNs). The intact rock mass is simulated with a bonded assembly of discrete particles, commonly referred to as the bonded-particle model (BPM) for rock. Discontinuities in the BPM are formed by the insertion of smooth, unbonded contacts along specified planes. The influence of discontinuity spacing, orientation, and stiffness on slope natural frequency and amplification was investigated with the commercially available Particle Flow Code (PFC2D). Numerical results indicate that increased discontinuity spacing has a non-linear effect in decreasing the amplification and increasing the natural frequency of the slope. As discontinuity dip changes from sub-horizontal to sub-vertical, the slope's level of amplification increases while the natural frequency of the slope decreases. Increased joint stiffness decreases amplification and increases natural frequency. The results reveal that internal structure has a strong influence on rock slope dynamics that can significantly change the system's dynamic response and stability during seismic loading. Financial support for this research was provided by the United States National Science Foundation (NSF) under grant CMMI-1156413.

Discrete ellipsoidal statistical BGK model and Burnett equations

NASA Astrophysics Data System (ADS)

Zhang, Yu-Dong; Xu, Ai-Guo; Zhang, Guang-Cai; Chen, Zhi-Hua; Wang, Pei

2018-06-01

A new discrete Boltzmann model, the discrete ellipsoidal statistical Bhatnagar-Gross-Krook (ESBGK) model, is proposed to simulate nonequilibrium compressible flows. Compared with the original discrete BGK model, the discrete ES-BGK has a flexible Prandtl number. For the discrete ES-BGK model in the Burnett level, two kinds of discrete velocity model are introduced and the relations between nonequilibrium quantities and the viscous stress and heat flux in the Burnett level are established. The model is verified via four benchmark tests. In addition, a new idea is introduced to recover the actual distribution function through the macroscopic quantities and their space derivatives. The recovery scheme works not only for discrete Boltzmann simulation but also for hydrodynamic ones, for example, those based on the Navier-Stokes or the Burnett equations.

THE DISTRIBUTION AND CHEMISTRY OF H{sub 2}CO IN THE DM TAU PROTOPLANETARY DISK

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

Loomis, Ryan A.; Öberg, Karin I.; Guzman, Viviana V.

H{sub 2}CO ice on dust grains is an important precursor of complex organic molecules (COMs). H{sub 2}CO gas can be readily observed in protoplanetary disks and may be used to trace COM chemistry. However, its utility as a COM probe is currently limited by a lack of constraints on the relative contributions of two different formation pathways: on icy grain surfaces and in the gas phase. We use archival Atacama Large (sub-)Millimeter Array observations of the resolved distribution of H{sub 2}CO emission in the disk around the young low-mass star DM Tau to assess the relative importance of these formationmore » routes. The observed H{sub 2}CO emission has a centrally peaked and radially broad brightness profile (extending out to 500 AU). We compare these observations with disk chemistry models with and without grain-surface formation reactions and find that both gas and grain-surface chemistry are necessary to explain the spatial distribution of the emission. Gas-phase H{sub 2}CO production is responsible for the observed central peak, while grain-surface chemistry is required to reproduce the emission exterior to the CO snow line (where H{sub 2}CO mainly forms through the hydrogenation of CO ice before being non-thermally desorbed). These observations demonstrate that both gas and grain-surface pathways contribute to the observed H{sub 2}CO in disks and that their relative contributions depend strongly on distance from the host star.« less

Effects of Discrete Charge Clustering in Simulations of Charged Interfaces.

PubMed

Grime, John M A; Khan, Malek O

2010-10-12

A system of counterions between charged surfaces is investigated, with the surfaces represented by uniform charged planes and three different arrangements of discrete surface charges - an equispaced grid and two different clustered arrangements. The behaviors of a series of systems with identical net surface charge density are examined, with particular emphasis placed on the long ranged corrections via the method of "charged slabs" and the effects of the simulation cell size. Marked differences are observed in counterion distributions and the osmotic pressure dependent on the particular representation of the charged surfaces; the uniformly charged surfaces and equispaced grids of discrete charge behave in a broadly similar manner, but the clustered systems display a pronounced decrease in osmotic pressure as the simulation size is increased. The influence of the long ranged correction is shown to be minimal for all but the very smallest of system sizes.

An investigation of the adsorption characteristics of 5 prime ATP and 5 prime AMP onto the surface of CaSO sub 4 x 2H sub 2 O

NASA Technical Reports Server (NTRS)

Calderon, J.; Sweeney, M. A.

1986-01-01

A model has been proposed (Lahev and Chans, 1982) in which solid surfaces can act as a site for catalytic activity of condensation reactions for certain biomolecules. From this model, the adsorption characteristics of 5'ATP and 5'AMP onto the surface of CaSO4 2H2O was chosen for study. It has been proven that 5'ATP and 5'AMP do adsorb onto the surface of CaSO4. Studies were then made to determine the dependence of adsorption versus time, concentration, ionic strength and pH. It was found that the adsorption of the nucleotides is highly pH dependent, primarily determined by the phosphate acid groups of the nucleic acid molecule. From this investigation, the data obtained are discussed in relation to the model for the prebiotic earth.

An advanced approach for computer modeling and prototyping of the human tooth.

PubMed

Chang, Kuang-Hua; Magdum, Sheetalkumar; Khera, Satish C; Goel, Vijay K

2003-05-01

This paper presents a systematic and practical method for constructing accurate computer and physical models that can be employed for the study of human tooth mechanics. The proposed method starts with a histological section preparation of a human tooth. Through tracing outlines of the tooth on the sections, discrete points are obtained and are employed to construct B-spline curves that represent the exterior contours and dentino-enamel junction (DEJ) of the tooth using a least square curve fitting technique. The surface skinning technique is then employed to quilt the B-spline curves to create a smooth boundary and DEJ of the tooth using B-spline surfaces. These surfaces are respectively imported into SolidWorks via its application protocol interface to create solid models. The solid models are then imported into Pro/MECHANICA Structure for finite element analysis (FEA). The major advantage of the proposed method is that it first generates smooth solid models, instead of finite element models in discretized form. As a result, a more advanced p-FEA can be employed for structural analysis, which usually provides superior results to traditional h-FEA. In addition, the solid model constructed is smooth and can be fabricated with various scales using the solid freeform fabrication technology. This method is especially useful in supporting bioengineering applications, where the shape of the object is usually complicated. A human maxillary second molar is presented to illustrate and demonstrate the proposed method. Note that both the solid and p-FEA models of the molar are presented. However, comparison between p- and h-FEA models is out of the scope of the paper.

Investigation of growth fault bend folding using discrete element modeling: Implications for signatures of active folding above blind thrust faults

NASA Astrophysics Data System (ADS)

Benesh, N. P.; Plesch, A.; Shaw, J. H.; Frost, E. K.

2007-03-01

Using the discrete element modeling method, we examine the two-dimensional nature of fold development above an anticlinal bend in a blind thrust fault. Our models were composed of numerical disks bonded together to form pregrowth strata overlying a fixed fault surface. This pregrowth package was then driven along the fault surface at a fixed velocity using a vertical backstop. Additionally, new particles were generated and deposited onto the pregrowth strata at a fixed rate to produce sequential growth layers. Models with and without mechanical layering were used, and the process of folding was analyzed in comparison with fold geometries predicted by kinematic fault bend folding as well as those observed in natural settings. Our results show that parallel fault bend folding behavior holds to first order in these models; however, a significant decrease in limb dip is noted for younger growth layers in all models. On the basis of comparisons to natural examples, we believe this deviation from kinematic fault bend folding to be a realistic feature of fold development resulting from an axial zone of finite width produced by materials with inherent mechanical strength. These results have important implications for how growth fold structures are used to constrain slip and paleoearthquake ages above blind thrust faults. Most notably, deformation localized about axial surfaces and structural relief across the fold limb seem to be the most robust observations that can readily constrain fault activity and slip. In contrast, fold limb width and shallow growth layer dips appear more variable and dependent on mechanical properties of the strata.

Methane dissociative chemisorption and detailed balance on Pt(111): Dynamical constraints and the modest influence of tunneling

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

Donald, S. B.; Navin, J. K.; Harrison, I., E-mail: harrison@virginia.edu

A dynamically biased (d-) precursor mediated microcanonical trapping (PMMT) model of the activated dissociative chemisorption of methane on Pt(111) is applied to a wide range of dissociative sticking experiments, and, by detailed balance, to the methane product state distributions from the thermal associative desorption of adsorbed hydrogen with coadsorbed methyl radicals. Tunneling pathways were incorporated into the d-PMMT model to better replicate the translational energy distribution of the desorbing methane product from the laser induced thermal reaction of coadsorbed hydrogen and methyl radicals occurring near T{sub s} = 395 K. Although tunneling is predicted to be inconsequential to the thermalmore » dissociative chemisorption of CH{sub 4} on Pt(111) at the high temperatures of catalytic interest, once the temperature drops to 395 K the tunneling fraction of the reactive thermal flux reaches 15%, and as temperatures drop below 275 K the tunneling fraction exceeds 50%. The d-PMMT model parameters of (E{sub 0} = 58.9 kJ/mol, s = 2, η{sub v} = 0.40) describe the apparent threshold energy for CH{sub 4}/Pt(111) dissociative chemisorption, the number of surface oscillators involved in the precursor complex, and the efficacy of molecular vibrational energy to promote reaction, relative to translational energy directed along the surface normal. Molecular translations parallel to the surface and rotations are treated as spectator degrees of freedom. Transition state vibrational frequencies are derived from generalized gradient approximation-density functional theory electronic structure calculations. The d-PMMT model replicates the diverse range of experimental data available with good fidelity, including some new effusive molecular beam and ambient gas dissociative sticking measurements. Nevertheless, there are some indications that closer agreement between theory and experiments could be achieved if a surface efficacy less than one was introduced into the modeling as an additional dynamical constraint.« less

Collisions of excited Na atoms with H/sub 2/ molecules. I. Ab initio potential energy surfaces and qualitative discussion of the quenching process

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

Botschwina, P.; Meyer, W.; Hertel, I.V.

Potential energy surfaces have been calculated for the four lowest electronic states of Na (3 /sup 2/S, 3 /sup 2/P)+H/sub 2/(/sup 1/..sigma../sup +//sub g/) by means of the RHF--SCF and PNO--CEPA methods. For the so-called quenching process of Na (3 /sup 2/P) by H/sub 2/ at low initial translational energies (E--VRT energy transfer) the energetically most favorable path occurs in C/sub 2v/ symmetry, since: at intermediate Na--H/sub 2/ separation: the A /sup 2/B/sub 2/ potential energy surface is attractive. From the CEPA calculations, the crossing point of minimal energy between the X /sup 2/A/sub 1/ and A /sup 2/B/sub 2/more » surfaces is obtained at R/sub c/ = 3.57 a.u. and r/sub c/ = 2.17 a.u. with an energy difference to the asymptotic limit (R = infinity, r = r/sub e/) of -0.06 eV. It is thus classically accessible without any initial translational energy, but at low initial translational energies (approx.0.1 eV) quenching will be efficient only for arrangements of collision partners close to C/sub 2v/ symmetry. There is little indication of an avoiding crossing with an ionic intermediate correlating asymptotically with Na/sup +/ and H/sub 2//sup -/ as was assumed in previous discussions of the quenching process. The dependence of the total quenching cross sections on the initial translational energy is discussed by means of the ''absorbing sphere'' model, taking the initial zero-point vibrational energy of the hydrogen molecule into account. New experimental data of the product channel distribution in H/sub 2/ for center-of-mass forward scattering are presented. The final vibrational states v' = 3, 2, 1, and 0 of H/sub 2/ are populated to about 26%, 61%, 13%, and 0%, respectively. The observed distributions in H/sub 2/ (and D/sub 2/) may be rationalized by simple dynamic considerations on the basis of the calculated surfaces.« less

Sensitivity of High-Resolution Simulations of Hurricane Bob (1991) to Planetary Boundary Layer Parameterizations

NASA Technical Reports Server (NTRS)

Braun, Scott A.; Tao, Wei-Kuo

1999-01-01

The MM5 mesoscale model is used to simulate Hurricane Bob (1991) using grids nested to high resolution (4 km). Tests are conducted to determine the sensitivity of the simulation to the available planetary boundary layer parameterizations, including the bulk-aerodynamic, Blackadar, Medium-RanGe Forecast (MRF) model, and Burk-Thompson boundary-layer schemes. Significant sensitivity is seen, with minimum central pressures varying by up to 17 mb. The Burk-Thompson and bulk-aerodynamic boundary-layer schemes produced the strongest storms while the MRF scheme produced the weakest storm. Precipitation structure of the simulated hurricanes also varied substantially with the boundary layer parameterizations. Diagnostics of boundary-layer variables indicated that the intensity of the simulated hurricanes generally increased as the ratio of the surface exchange coefficients for heat and momentum, C(sub h)/C(sub M), although the manner in which the vertical mixing takes place was also important. Findings specific to the boundary-layer schemes include: 1) the MRF scheme produces mixing that is too deep and causes drying of the lower boundary layer in the inner-core region of the hurricane; 2) the bulk-aerodynamic scheme produces mixing that is probably too shallow, but results in a strong hurricane because of a large value of C(sub h)/C(sub M) (approximately 1.3); 3) the MRF and Blackadar schemes are weak partly because of smaller surface moisture fluxes that result in a reduced value of C(sub h)/C(sub M) (approximately 0.7); 4) the Burk-Thompson scheme produces a strong storm with C(sub h)/C(sub M) approximately 1; and 5) the formulation of the wind-speed dependence of the surface roughness parameter, z(sub 0), is important for getting appropriate values of the surface exchange coefficients in hurricanes based upon current estimates of these parameters.

The Next Generation in Subsidence and Aquifer-System Compaction Modeling within the MODFLOW Software Family: A New Package for MODFLOW-2005 and MODFLOW-OWHM

NASA Astrophysics Data System (ADS)

Boyce, S. E.; Leake, S. A.; Hanson, R. T.; Galloway, D. L.

2015-12-01

The Subsidence and Aquifer-System Compaction Packages, SUB and SUB-WT, for MODFLOW are two currently supported subsidence packages within the MODFLOW family of software. The SUB package allows the calculation of instantaneous and delayed releases of water from distributed interbeds (relatively more compressible fine-grained sediments) within a saturated aquifer system or discrete confining beds. The SUB-WT package does not include delayed releases, but does perform a more rigorous calculation of vertical stresses that can vary the effective stress that causes compaction. This calculation of instantaneous compaction can include the effect of water-table fluctuations for unconfined aquifers on effective stress, and can optionally adjust the elastic and inelastic storage properties based on the changes in effective stress. The next generation of subsidence modeling in MODFLOW is under development, and will merge and enhance the capabilities of the SUB and SUB-WT Packages for MODFLOW-2005 and MODFLOW-OWHM. This new version will also provide some additional features such as stress dependent vertical hydraulic conductivity of interbeds, time-varying geostatic loads, and additional attributes related to aquifer-system compaction and subsidence that will broaden the class of problems that can be simulated. The new version will include a redesigned source code, a new user friendly input file structure, more output options, and new subsidence solution options. This presentation will discuss progress in developing the new package and the new features being implemented and their potential applications. By Stanley Leake, Scott E. Boyce, Randall T. Hanson, and Devin Galloway

Improvements, testing and development of the ADM-τ sub-grid surface tension model for two-phase LES

NASA Astrophysics Data System (ADS)

Aniszewski, Wojciech

2016-12-01

In this paper, a specific subgrid term occurring in Large Eddy Simulation (LES) of two-phase flows is investigated. This and other subgrid terms are presented, we subsequently elaborate on the existing models for those and re-formulate the ADM-τ model for sub-grid surface tension previously published by these authors. This paper presents a substantial, conceptual simplification over the original model version, accompanied by a decrease in its computational cost. At the same time, it addresses the issues the original model version faced, e.g. introduces non-isotropic applicability criteria based on resolved interface's principal curvature radii. Additionally, this paper introduces more throughout testing of the ADM-τ, in both simple and complex flows.

Flexible histone tails in a new mesoscopic oligonucleosome model.

PubMed

Arya, Gaurav; Zhang, Qing; Schlick, Tamar

2006-07-01

We describe a new mesoscopic model of oligonucleosomes that incorporates flexible histone tails. The nucleosome cores are modeled using the discrete surface-charge optimization model, which treats the nucleosome as an electrostatic surface represented by hundreds of point charges; the linker DNAs are treated using a discrete elastic chain model; and the histone tails are modeled using a bead/chain hydrodynamic approach as chains of connected beads where each bead represents five protein residues. Appropriate charges and force fields are assigned to each histone chain so as to reproduce the electrostatic potential, structure, and dynamics of the corresponding atomistic histone tails at different salt conditions. The dynamics of resulting oligonucleosomes at different sizes and varying salt concentrations are simulated by Brownian dynamics with complete hydrodynamic interactions. The analyses demonstrate that the new mesoscopic model reproduces experimental results better than its predecessors, which modeled histone tails as rigid entities. In particular, our model with flexible histone tails: correctly accounts for salt-dependent conformational changes in the histone tails; yields the experimentally obtained values of histone-tail mediated core/core attraction energies; and considers the partial shielding of electrostatic repulsion between DNA linkers as a result of the spatial distribution of histone tails. These effects are crucial for regulating chromatin structure but are absent or improperly treated in models with rigid histone tails. The development of this model of oligonucleosomes thus opens new avenues for studying the role of histone tails and their variants in mediating gene expression through modulation of chromatin structure.

Effect of particle size distribution on the hydrodynamics of dense CFB risers

NASA Astrophysics Data System (ADS)

Bakshi, Akhilesh; Khanna, Samir; Venuturumilli, Raj; Altantzis, Christos; Ghoniem, Ahmed

2015-11-01

Circulating Fluidized Beds (CFB) are favorable in the energy and chemical industries, due to their high efficiency. While accurate hydrodynamic modeling is essential for optimizing performance, most CFB riser simulations are performed assuming equally-sized solid particles, owing to limited computational resources. Even though this approach yields reasonable predictions, it neglects commonly observed experimental findings suggesting the strong effect of particle size distribution (psd) on the hydrodynamics and chemical conversion. Thus, this study is focused on the inclusion of discrete particle sizes to represent the psd and its effect on fluidization via 2D numerical simulations. The particle sizes and corresponding mass fluxes are obtained using experimental data in dense CFB riser while the modeling framework is described in Bakshi et al 2015. Simulations are conducted at two scales: (a) fine grid to resolve heterogeneous structures and (b) coarse grid using EMMS sub-grid modifications. Using suitable metrics which capture bed dynamics, this study provides insights into segregation and mixing of particles as well as highlights need for improved sub-grid models.

Non-isothermal crystallization kinetics of Fe{sub 2}O{sub 3}–CaO–SiO{sub 2} glass containing nucleation agent P{sub 2}O{sub 5}/TiO{sub 2}

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

Li, Bin, E-mail: stra-ceo@163.com; Wang, Yongya; Luo, Wenqin

Fe{sub 2}O{sub 3}–CaO–SiO{sub 2} glass ceramics containing nucleation agent P{sub 2}O{sub 5}/TiO{sub 2} were prepared by sol-gel method. The samples were characterized by X-ray diffraction (XRD) and differential scanning calorimetry (DSC). The activation energy and kinetic parameters for crystallization of the samples were calculated by the Johnson-Mehi-Avrami (JMA) model and Augis-Bennett method according to the results of DSC. The results showed that the crystallization mechanism of Fe{sub 2}O{sub 3}–CaO–SiO{sub 2} glass, whose non-isothermal kinetic parameter n = 2.3, was consistent with surface crystallization of the JMA model. The kinetics model function of Fe{sub 2}O{sub 3}–CaO–SiO{sub 2} glass, f(α) = 2.3(1–α)[–ln(1–α)]{supmore » 0.57}, was also obtained. The addition of nucleation agent P{sub 2}O{sub 5}/TiO{sub 2} could reduce the activation energy, which made the crystal growth modes change from onedimensional to three-dimensional.« less

Integrability of the Kruskal--Zabusky Discrete Equation by Multiscale Expansion

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

Levi, Decio; Scimiterna, Christian

2010-03-08

In 1965 Kruskal and Zabusky in a very famous article in Physical Review Letters introduced the notion of 'soliton' to describe the interaction of solitary waves solutions of the Korteweg de Vries equation (KdV). To do so they introduced a discrete approximation to the KdV, the Kruskal-Zabusky equation (KZ). Here we analyze the KZ equation using the multiscale expansion and show that the equation is only A{sub 2} integrable.

Watershed Complexity Impacts on Rainfall-Runoff Modeling

NASA Astrophysics Data System (ADS)

Goodrich, D. C.; Grayson, R.; Willgoose, G.; Palacios-Velez, O.; Bloeschl, G.

2002-12-01

Application of distributed hydrologic watershed models fundamentally requires watershed partitioning or discretization. In addition to partitioning the watershed into modeling elements, these elements typically represent a further abstraction of the actual watershed surface and its relevant hydrologic properties. A critical issue that must be addressed by any user of these models prior to their application is definition of an acceptable level of watershed discretization or geometric model complexity. A quantitative methodology to define a level of geometric model complexity commensurate with a specified level of model performance is developed for watershed rainfall-runoff modeling. In the case where watershed contributing areas are represented by overland flow planes, equilibrium discharge storage was used to define the transition from overland to channel dominated flow response. The methodology is tested on four subcatchments which cover a range of watershed scales of over three orders of magnitude in the USDA-ARS Walnut Gulch Experimental Watershed in Southeastern Arizona. It was found that distortion of the hydraulic roughness can compensate for a lower level of discretization (fewer channels) to a point. Beyond this point, hydraulic roughness distortion cannot compensate for topographic distortion of representing the watershed by fewer elements (e.g. less complex channel network). Similarly, differences in representation of topography by different model or digital elevation model (DEM) types (e.g. Triangular Irregular Elements - TINs; contour lines; and regular grid DEMs) also result in difference in runoff routing responses that can be largely compensated for by a distortion in hydraulic roughness.

Predicting drought propagation within peat layers using a three dimensionally explicit voxel based model

NASA Astrophysics Data System (ADS)

Condro, A. A.; Pawitan, H.; Risdiyanto, I.

2018-05-01

Peatlands are very vulnerable to widespread fires during dry seasons, due to availability of aboveground fuel biomass on the surface and belowground fuel biomass on the sub-surface. Hence, understanding drought propagation occurring within peat layers is crucial with regards to disaster mitigation activities on peatlands. Using a three dimensionally explicit voxel-based model of peatland hydrology, this study predicted drought propagation time lags into sub-surface peat layers after drought events occurrence on the surface of about 1 month during La-Nina and 2.5 months during El-Nino. The study was carried out on a high-conservation-value area of oil palm plantation in West Kalimantan. Validity of the model was evaluated and its applicability for disaster mitigation was discussed. The animations of simulated voxels are available at: goo.gl/HDRMYN (El-Nino 2015 episode) and goo.gl/g1sXPl (La-Nina 2016 episode). The model is available at: goo.gl/RiuMQz.

Heat transfer to a full-coverage film-cooled surface with 30 degree slant-hole injection

NASA Technical Reports Server (NTRS)

Crawford, M. E.; Kays, W. M.; Moffat, R. J.

1976-01-01

Heat transfer behavior was studied in a turbulent boundary layer with full coverage film cooling through an array of discrete holes and with injection 30 deg to the wall surface in the downstream direction. Stanton numbers were measured for a staggered hole pattern with pitch-to-diameter ratios of 5 and 10, an injection mass flux ratio range of 0.1 to 1.3, and a range of Reynolds number Re sub x of 150,000 to 5 million. Air was used as the working fluid, and the mainstream velocity varied from 9.8 to 34.2 m/sec (32 to 112 ft/sec). The data were taken for secondary injection temperature equal to the wall temperature and also equal to the mainstream temperature. The data may be used to obtain Stanton number as a continuous function of the injectant temperature by use of linear superposition theory. The heat transfer coefficient is defined on the basis of a mainstream-to-wall temperature difference. This definition permits direct comparison of performance between film cooling and transpiration cooling. A differential prediction method was developed to predict the film cooling data base. The method utilizes a two-dimensional boundary layer program with routines to model the injection process and turbulence augmentation. The program marches in the streamwise direction, and when a row of holes is encountered, it stops and injects fluid into the boundary layer. The turbulence level is modeled by algebraically augmenting the mixing length, with the augmentation keyed to a penetration distance for the injected fluid.

Influence of biphenyl spacer appended to the flexible phosphonate arms in modulating the dimensionality of the coordination polymers: Synthesis, structural chemistry and magnetic properties

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

Tripuramallu, Bharat Kumar; Das, Samar K., E-mail: skdsc@uohyd.ernet.in

2013-01-15

Two new compounds [Co (2,2 Prime -bipy) (H{sub 2}dbp)]{sub n} (1) and [Ni (2,2 Prime -bipy){sub 2}(H{sub 2}dbp)(H{sub 2}O)]{center_dot}H{sub 2}O (2) based on the flexible ligand 4,4 Prime -dimethylenebiphenyldiphosphonic acid (H{sub 4}dbp) with 2,2 Prime -bipyridine as secondary ligand have been synthesized under hydrothermal conditions. Both the compounds are well characterized by routine elemental analysis, IR, electronic spectroscopies, thermogravimetric analysis and finally by single crystal X-ray diffraction analysis. Compound 1 is a 1D extended coordination polymer and 2 is a discrete molecular compound. A comparative study between the geometries of H{sub 4}dbp ligand (in compounds 1 and 2, present study)more » and p-xylylenediphosphonic acid (H{sub 4}pxp) ligand (in previously reported compounds [Cu(2,2 Prime -bipy)(H{sub 2}pxp)]{center_dot}nH{sub 2}O (1A) and Ni(2,2 Prime -bipy){sub 2}H{sub 4}pxp]{sub n}[H{sub 2}pxp]{sub n} (2A), see text) demonstrate the effect of the twisting in the benzene rings in changing higher dimensional H{sub x}pxp (x refers to number of protonated hydroxyl groups) compounds to lower dimensional H{sub x}dbp compounds. The eight membered Co-dimer rings formed in compound 1 represents the simple and isolated Co-dimer, exhibiting weak antiferromagnetic exchange between metal centers through OPO bridges. - Graphical abstract: Two new compounds based on the dimethylenebiphenyldiphosphonic acid have been synthesized. The effect of twisting of benzene rings in the biphenyl spacer containing multidentate ligands alters dimensionality of final compounds. Highlights: Black-Right-Pointing-Pointer Cobalt containing coordination polymer and a nickel discrete compound have been synthesized. Black-Right-Pointing-Pointer Flexible ligand 4,4'-dimethylenebiphenyldiphosphonic acid has been employed. Black-Right-Pointing-Pointer Co(II) and Ni(II) ions are square pyramidal and octahedral respectively. Black-Right-Pointing-Pointer The effect of the twisting in the benzene rings in the associated ligand has been demonstrated.« less

Modeling diffusion and reaction in soils: 9. The Buckingham-Burdine-Campbell equation for gas diffusivity in undisturbed soil

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

Moldrup, P.; Olesen, T.; Yamaguchi, T.

1999-08-01

Accurate description of gas diffusivity (ratio of gas diffusion coefficients in soil and free air, D{sub s}/D{sub 0}) in undisturbed soils is a prerequisite for predicting in situ transport and fate of volatile organic chemicals and greenhouse gases. Reference point gas diffusivities (R{sub p}) in completely dry soil were estimated for 20 undisturbed soils by assuming a power function relation between gas diffusivity and air-filled porosity ({epsilon}). Among the classical gas diffusivity models, the Buckingham (1904) expression, equal to the soil total porosity squared, best described R{sub p}. Inasmuch, as their previous works implied a soil-type dependency of D{sub s}/D{submore » 0}({epsilon}) in undisturbed soils, the Buckingham R{sub p} expression was inserted in two soil-type-dependent D{sub s}/D{sub 0}({epsilon}) models. One D{sub s}/D{sub 0}({epsilon}) model is a function of pore-size distribution (the Campbell water retention parameter used in a modified Burdine capillary tube model), and the other is a calibrated, empirical function of soil texture (silt + sand fraction). Both the Buckingham-Burdine-Campbell (BBC) and the Buckingham/soil texture-based D{sub s}/D{sub 0}({epsilon}) models described well the observed soil type effects on gas diffusivity and gave improved predictions compared with soil type independent models when tested against an independent data set for six undisturbed surface soils. This study emphasizes that simple but soil-type-dependent power function D{sub s}/D{sub 0}({epsilon}) models can adequately describe and predict gas diffusivity in undisturbed soil. The authors recommend the new BBC model as basis for modeling gas transport and reactions in undisturbed soil systems.« less

Experimental and theoretical study of rotationally inelastic diffraction of H{sub 2}(D{sub 2}) from methyl-terminated Si(111)

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

Nihill, Kevin J.; Hund, Zachary M.; Sibener, S. J., E-mail: s-sibener@uchicago.edu

2016-08-28

Fundamental details concerning the interaction between H{sub 2} and CH{sub 3}–Si(111) have been elucidated by the combination of diffractive scattering experiments and electronic structure and scattering calculations. Rotationally inelastic diffraction (RID) of H{sub 2} and D{sub 2} from this model hydrocarbon-decorated semiconductor interface has been confirmed for the first time via both time-of-flight and diffraction measurements, with modest j = 0 → 2 RID intensities for H{sub 2} compared to the strong RID features observed for D{sub 2} over a large range of kinematic scattering conditions along two high-symmetry azimuthal directions. The Debye-Waller model was applied to the thermal attenuationmore » of diffraction peaks, allowing for precise determination of the RID probabilities by accounting for incoherent motion of the CH{sub 3}–Si(111) surface atoms. The probabilities of rotationally inelastic diffraction of H{sub 2} and D{sub 2} have been quantitatively evaluated as a function of beam energy and scattering angle, and have been compared with complementary electronic structure and scattering calculations to provide insight into the interaction potential between H{sub 2} (D{sub 2}) and hence the surface charge density distribution. Specifically, a six-dimensional potential energy surface (PES), describing the electronic structure of the H{sub 2}(D{sub 2})/CH{sub 3}−Si(111) system, has been computed based on interpolation of density functional theory energies. Quantum and classical dynamics simulations have allowed for an assessment of the accuracy of the PES, and subsequently for identification of the features of the PES that serve as classical turning points. A close scrutiny of the PES reveals the highly anisotropic character of the interaction potential at these turning points. This combination of experiment and theory provides new and important details about the interaction of H{sub 2} with a hybrid organic-semiconductor interface, which can be used to further investigate energy flow in technologically relevant systems.« less

A Flight Control System for Small Unmanned Aerial Vehicle

NASA Astrophysics Data System (ADS)

Tunik, A. A.; Nadsadnaya, O. I.

2018-03-01

The program adaptation of the controller for the flight control system (FCS) of an unmanned aerial vehicle (UAV) is considered. Linearized flight dynamic models depend mainly on the true airspeed of the UAV, which is measured by the onboard air data system. This enables its use for program adaptation of the FCS over the full range of altitudes and velocities, which define the flight operating range. FCS with program adaptation, based on static feedback (SF), is selected. The SF parameters for every sub-range of the true airspeed are determined using the linear matrix inequality approach in the case of discrete systems for synthesis of a suboptimal robust H ∞-controller. The use of the Lagrange interpolation between true airspeed sub-ranges provides continuous adaptation. The efficiency of the proposed approach is shown against an example of the heading stabilization system.

Spectral analysis of variable-length coded digital signals

NASA Astrophysics Data System (ADS)

Cariolaro, G. L.; Pierobon, G. L.; Pupolin, S. G.

1982-05-01

A spectral analysis is conducted for a variable-length word sequence by an encoder driven by a stationary memoryless source. A finite-state sequential machine is considered as a model of the line encoder, and the spectral analysis of the encoded message is performed under the assumption that the sourceword sequence is composed of independent identically distributed words. Closed form expressions for both the continuous and discrete parts of the spectral density are derived in terms of the encoder law and sourceword statistics. The jump part exhibits jumps at multiple integers of per lambda(sub 0)T, where lambda(sub 0) is the greatest common divisor of the possible codeword lengths, and T is the symbol period. The derivation of the continuous part can be conveniently factorized, and the theory is applied to the spectral analysis of BnZS and HDBn codes.

The effect of ozone on nicotine desorption from model surfaces:evidence for heterogeneous chemistry

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

Destaillats, Hugo; Singer, Brett C.; Lee, Sharon K.

Assessment of secondhand tobacco smoke exposure using nicotine as a tracer or biomarker is affected by sorption of the alkaloid to indoor surfaces and by its long-term re-emission into the gas phase. However, surface chemical interactions of nicotine have not been sufficiently characterized. Here, the reaction of ozone with nicotine sorbed to Teflon and cotton surfaces was investigated in an environmental chamber by monitoring nicotine desorption over a week following equilibration in dry or humid air (65-70 % RH). The Teflon and cotton surfaces had N{sub 2}-BET surface areas of 0.19 and 1.17 m{sup 2} g{sup -1}, and water massmore » uptakes (at 70 % RH) of 0 and 7.1 % respectively. Compared with dry air baseline levels in the absence of O{sub 3}, gas phase nicotine concentrations decrease, by 2 orders of magnitude for Teflon after 50 h at 20-45 ppb O{sub 3}, and by a factor of 10 for cotton after 100 h with 13-15 ppb O{sub 3}. The ratios of pseudo first-order rate constants for surface reaction (r) to long-term desorption (k) were r/k = 3.5 and 2.0 for Teflon and cotton surfaces, respectively. These results show that surface oxidation was competitive with desorption. Hence, oxidative losses could significantly reduce long-term re-emissions of nicotine from indoor surfaces. Formaldehyde, N-methylformamide, nicotinaldehyde and cotinine were identified as oxidation products, indicating that the pyrrolidinic N was the site of electrophilic attack by O{sub 3}. The presence of water vapor had no effect on the nicotine-O{sub 3} reaction on Teflon surfaces. By contrast, nicotine desorption from cotton in humid air was unaffected by the presence of ozone. These observations are consistent with complete inhibition of ozone-nicotine surface reactions in an aqueous surface film present in cotton but not in Teflon surfaces.« less

On Some Parabolic Type Problems from Thin Film Theory and Chemical Reaction-Diffusion Networks

NASA Astrophysics Data System (ADS)

Mohamed, Fatma Naser Ali

This dissertation considers some parabolic type problems from thin film theory and chemical reaction-diffusion networks. The dissertation consists of two parts: In the first part, we study the evolution of a thin film of fluid modeled by the lubrication approximation for thin viscous films. We prove an existence of (dissipative) strong solutions for the Cauchy problem when the sub-diffusive exponent ranges between 3/8 and 2; then we show that these solutions tend to zero at rates matching the decay of the source-type self-similar solutions with zero contact angle. We introduce the weaker concept of dissipative mild solutions and we show that, in this case, the surface-tension energy dissipation is the mechanism responsible for the H1-norm decay to zero of the thickness of the film at an explicit rate. Relaxed problems, with second-order nonlinear terms of porous media type, are also successfully treated by the same means. [special characters omitted]. In the second part, we are concerned with the convergence of a certain space-discretization scheme -the so-called method of lines- for mass-action reaction-diffusion systems. First, we start with a toy model, namely. [special characters omitted]. and prove convergence of method of lines for this linear case. Here weak convergence in L2(0,1) is enough to prove convergence of the method of lines. Then we adopt the framework for convergence analysis introduced in [23] and concentrate on the proof-of-concept reaction. within 1D space, while at the same time noting that our techniques are readily generalizable to other reaction-diffusion networks and to more than one space dimension. Indeed, it will be obvious how to extend our proofs to the multi-dimensional case; we only note that the proof of the comparison principle (the continuous and the discrete versions; see chapter 6) imposes a limitation on the spatial dimension (should be at most five; see [24] for details). The Method of Lines (MOL) is not a mainstream numerical tool and the specialized literature is rather scarce. The method amounts to discretizing evolutionary PDE's in space only, so it produces a semi-discrete numerical scheme which consists of a system of ODE's (in the time variable). To prove convergence of the semi-discrete MOL scheme to the original PDE one needs to perform some more or less traditional analysis: it is necessary to show that the scheme is consistent with the continuous problem and that the discretized version of the spatial differential operator retains sufficient dissipative properties in order to allow an application of Gronwall's Lemma to the error term. As shown in [23], a uniform (in time) consistency estimate is sufficient to obtain convergence; however, the consistency estimate we proved is not uniform for a small time, so we cannot directly employ the results in [23] to prove convergence in our case. Instead, we prove all the required estimates "from the scratch", then we use their exact quantitative form in order to conclude convergence.

Validation of single-fluid and two-fluid magnetohydrodynamic models of the helicity injected torus spheromak experiment with the NIMROD code

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

Akcay, Cihan; Victor, Brian S.; Jarboe, Thomas R.

We present a comparison study of 3-D pressureless resistive MHD (rMHD) and 3-D presureless two-fluid MHD models of the Helicity Injected Torus with Steady Inductive helicity injection (HIT-SI). HIT-SI is a current drive experiment that uses two geometrically asymmetric helicity injectors to generate and sustain toroidal plasmas. The comparable size of the collisionless ion skin depth d{sub i} to the resistive skin depth predicates the importance of the Hall term for HIT-SI. The simulations are run with NIMROD, an initial-value, 3-D extended MHD code. The modeled plasma density and temperature are assumed uniform and constant. The helicity injectors are modeledmore » as oscillating normal magnetic and parallel electric field boundary conditions. The simulations use parameters that closely match those of the experiment. The simulation output is compared to the formation time, plasma current, and internal and surface magnetic fields. Results of the study indicate 2fl-MHD shows quantitative agreement with the experiment while rMHD only captures the qualitative features. The validity of each model is assessed based on how accurately it reproduces the global quantities as well as the temporal and spatial dependence of the measured magnetic fields. 2fl-MHD produces the current amplification (I{sub tor}/I{sub inj}) and formation time τ{sub f} demonstrated by HIT-SI with similar internal magnetic fields. rMHD underestimates (I{sub tor}/I{sub inj}) and exhibits much a longer τ{sub f}. Biorthogonal decomposition (BD), a powerful mathematical tool for reducing large data sets, is employed to quantify how well the simulations reproduce the measured surface magnetic fields without resorting to a probe-by-probe comparison. BD shows that 2fl-MHD captures the dominant surface magnetic structures and the temporal behavior of these features better than rMHD.« less

Synthesis of hectorite-TiO2 and kaolinite-TiO2 nanocomposites with photocatalytic activity for the degradation of model air pollutants

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

Destaillats, Hugo; Kibanova, D.; Trejo, M.

2008-03-01

We studied the synthesis and photocatalytic activity of small-sized TiO{sub 2} supported on hectorite and kaolinite. Deposition of TiO{sub 2} on the clay mineral surface was conducted by using a sol-gel method with titanium isopropoxide as precursor. Anatase TiO{sub 2} particles formation was achieved by hydrothermal treatment at 180 C. Material characterization was conducted using XRD, SEM, XPS, ICP-OES, BET and porosimetry analysis. Efficiency in synthesizing clay-TiO{sub 2} composites depended strongly on the clay mineral structure. Incorporation of anatase in hectorite, an expandable clay mineral, was found to be very significant (> 36 wt.% Ti) and to be followed bymore » important structural changes at the clay mineral surface. Instead, no major structural modifications of the clay were observed for kaolinite-TiO{sub 2}, as compared with the untreated material. Photocatalytic performance of clay-TiO{sub 2} composites was evaluated with ATR-FTIR following the oxidation of adsorbed toluene and d-limonene, two model air pollutants. In either case, the photocatalytic removal efficiency of these hydrophobic substrates by the synthesized clay-TiO{sub 2} composites was comparable to that observed using pure commercial TiO{sub 2} (Degussa P25).« less

Deformation rates across the San Andreas Fault system, central California determined by geology and geodesy

NASA Astrophysics Data System (ADS)

Titus, Sarah J.

The San Andreas fault system is a transpressional plate boundary characterized by sub-parallel dextral strike-slip faults separating internally deformed crustal blocks in central California. Both geodetic and geologic tools were used to understand the short- and long-term partitioning of deformation in both the crust and the lithospheric mantle across the plate boundary system. GPS data indicate that the short-term discrete deformation rate is ˜28 mm/yr for the central creeping segment of the San Andreas fault and increases to 33 mm/yr at +/-35 km from the fault. This gradient in deformation rates is interpreted to reflect elastic locking of the creeping segment at depth, distributed off-fault deformation, or some combination of these two mechanisms. These short-term fault-parallel deformation rates are slower than the expected geologic slip rate and the relative plate motion rate. Structural analysis of folds and transpressional kinematic modeling were used to quantify long-term distributed deformation adjacent to the Rinconada fault. Folding accommodates approximately 5 km of wrench deformation, which translates to a deformation rate of ˜1 mm/yr since the start of the Pliocene. Integration with discrete offset on the Rinconada fault indicates that this portion of the San Andreas fault system is approximately 80% strike-slip partitioned. This kinematic fold model can be applied to the entire San Andreas fault system and may explain some of the across-fault gradient in deformation rates recorded by the geodetic data. Petrologic examination of mantle xenoliths from the Coyote Lake basalt near the Calaveras fault was used to link crustal plate boundary deformation at the surface with models for the accommodation of deformation in the lithospheric mantle. Seismic anisotropy calculations based on xenolith petrofabrics suggest that an anisotropic mantle layer thickness of 35-85 km is required to explain the observed shear wave splitting delay times in central California. The available data are most consistent with models for a broad zone of distributed deformation in the lithospheric mantle.

Multi-dimensional modeling of atmospheric copper-sulfidation corrosion on non-planar substrates.

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

Chen, Ken Shuang

2004-11-01

This report documents the author's efforts in the deterministic modeling of copper-sulfidation corrosion on non-planar substrates such as diodes and electrical connectors. A new framework based on Goma was developed for multi-dimensional modeling of atmospheric copper-sulfidation corrosion on non-planar substrates. In this framework, the moving sulfidation front is explicitly tracked by treating the finite-element mesh as a pseudo solid with an arbitrary Lagrangian-Eulerian formulation and repeatedly performing re-meshing using CUBIT and re-mapping using MAPVAR. Three one-dimensional studies were performed for verifying the framework in asymptotic regimes. Limited model validation was also carried out by comparing computed copper-sulfide thickness with experimentalmore » data. The framework was first demonstrated in modeling one-dimensional copper sulfidation with charge separation. It was found that both the thickness of the space-charge layers and the electrical potential at the sulfidation surface decrease rapidly as the Cu{sub 2}S layer thickens initially but eventually reach equilibrium values as Cu{sub 2}S layer becomes sufficiently thick; it was also found that electroneutrality is a reasonable approximation and that the electro-migration flux may be estimated by using the equilibrium potential difference between the sulfidation and annihilation surfaces when the Cu{sub 2}S layer is sufficiently thick. The framework was then employed to model copper sulfidation in the solid-state-diffusion controlled regime (i.e. stage II sulfidation) on a prototypical diode until a continuous Cu{sub 2}S film was formed on the diode surface. The framework was also applied to model copper sulfidation on an intermittent electrical contact between a gold-plated copper pin and gold-plated copper pad; the presence of Cu{sub 2}S was found to raise the effective electrical resistance drastically. Lastly, future research needs in modeling atmospheric copper sulfidation are discussed.« less

Analysis and computation of a least-squares method for consistent mesh tying

DOE PAGES

Day, David; Bochev, Pavel

2007-07-10

We report in the finite element method, a standard approach to mesh tying is to apply Lagrange multipliers. If the interface is curved, however, discretization generally leads to adjoining surfaces that do not coincide spatially. Straightforward Lagrange multiplier methods lead to discrete formulations failing a first-order patch test [T.A. Laursen, M.W. Heinstein, Consistent mesh-tying methods for topologically distinct discretized surfaces in non-linear solid mechanics, Internat. J. Numer. Methods Eng. 57 (2003) 1197–1242]. This paper presents a theoretical and computational study of a least-squares method for mesh tying [P. Bochev, D.M. Day, A least-squares method for consistent mesh tying, Internat. J.more » Numer. Anal. Modeling 4 (2007) 342–352], applied to the partial differential equation -∇ 2φ+αφ=f. We prove optimal convergence rates for domains represented as overlapping subdomains and show that the least-squares method passes a patch test of the order of the finite element space by construction. To apply the method to subdomain configurations with gaps and overlaps we use interface perturbations to eliminate the gaps. Finally, theoretical error estimates are illustrated by numerical experiments.« less

Equivalent circuit for VO{sub 2} phase change material film in reconfigurable frequency selective surfaces

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

Sanphuang, Varittha; Ghalichechian, Nima; Nahar, Niru K.

We developed equivalent circuits of phase change materials based on vanadium dioxide (VO{sub 2}) thin films. These circuits are used to model VO{sub 2} thin films for reconfigurable frequency selective surfaces (FSSs). This is important as it provides a way for designing complex structures. A reconfigurable FSS filter using VO{sub 2} ON/OFF switches is designed demonstrating −60 dB isolation between the states. This filter is used to provide the transmission and reflection responses of the FSS in the frequency range of 0.1–0.6 THz. The comparison between equivalent circuit and full-wave simulation shows excellent agreement.

Application and Analysis of Measurement Model for Calibrating Spatial Shear Surface in Triaxial Test

NASA Astrophysics Data System (ADS)

Zhang, Zhihua; Qiu, Hongsheng; Zhang, Xiedong; Zhang, Hang

2017-12-01

Discrete element method has great advantages in simulating the contacts, fractures, large displacement and deformation between particles. In order to analyze the spatial distribution of the shear surface in the three-dimensional triaxial test, a measurement model is inserted in the numerical triaxial model which is generated by weighted average assembling method. Due to the non-visibility of internal shear surface in laboratory, it is largely insufficient to judge the trend of internal shear surface only based on the superficial cracks of sheared sample, therefore, the measurement model is introduced. The trend of the internal shear zone is analyzed according to the variations of porosity, coordination number and volumetric strain in each layer. It shows that as a case study on confining stress of 0.8 MPa, the spatial shear surface is calibrated with the results of the rotated particle distribution and the theoretical value with the specific characteristics of the increase of porosity, the decrease of coordination number, and the increase of volumetric strain, which represents the measurement model used in three-dimensional model is applicable.

Enhancements to NURBS-Based FEA Airfoil Modeler: SABER

NASA Technical Reports Server (NTRS)

Saleeb, A. F.; Trowbridge, D. A.

2003-01-01

NURBS (Non-Uniform Rational B-Splines) have become a common way for CAD programs to fit a smooth surface to discrete geometric data. This concept has been extended to allow for the fitting of analysis data in a similar manner and "attaching" the analysis data to the geometric definition of the structure. The "attaching" of analysis data to the geometric definition allows for a more seamless sharing of data between analysis disciplines. NURBS have become a useful tool in the modeling of airfoils. The use of NURBS has allowed for the development of software that easily and consistently generates plate finite element models of the midcamber surface of a given airfoil. The resulting displacements can then be applied to the original airfoil surface and the deformed shape calculated.

Assessing the Utility of an Event-Step ASMD Model by Analysis of Surface Combatant Shared Self-Defense

DTIC Science & Technology

2001-09-01

Oriented Discrete Event Simulation,” Master’s Thesis in Operations Research, Naval Postgraduate School Monterey, CA, 1996. 12. Arntzen , A., “Software...Dependent Hit Probabilities”, Naval Research Logistics, Vol. 31, pp. 363-371, 1984. 3 Arntzen , A., “Software Components for Air Defense Planning

Discrete range clustering using Monte Carlo methods

NASA Technical Reports Server (NTRS)

Chatterji, G. B.; Sridhar, B.

1993-01-01

For automatic obstacle avoidance guidance during rotorcraft low altitude flight, a reliable model of the nearby environment is needed. Such a model may be constructed by applying surface fitting techniques to the dense range map obtained by active sensing using radars. However, for covertness, passive sensing techniques using electro-optic sensors are desirable. As opposed to the dense range map obtained via active sensing, passive sensing algorithms produce reliable range at sparse locations, and therefore, surface fitting techniques to fill the gaps in the range measurement are not directly applicable. Both for automatic guidance and as a display for aiding the pilot, these discrete ranges need to be grouped into sets which correspond to objects in the nearby environment. The focus of this paper is on using Monte Carlo methods for clustering range points into meaningful groups. One of the aims of the paper is to explore whether simulated annealing methods offer significant advantage over the basic Monte Carlo method for this class of problems. We compare three different approaches and present application results of these algorithms to a laboratory image sequence and a helicopter flight sequence.

Data-based discharge extrapolation: estimating annual discharge for a partially gauged large river basin from its small sub-basins

NASA Astrophysics Data System (ADS)

Gong, L.

2013-12-01

Large-scale hydrological models and land surface models are by far the only tools for accessing future water resources in climate change impact studies. Those models estimate discharge with large uncertainties, due to the complex interaction between climate and hydrology, the limited quality and availability of data, as well as model uncertainties. A new purely data-based scale-extrapolation method is proposed, to estimate water resources for a large basin solely from selected small sub-basins, which are typically two-orders-of-magnitude smaller than the large basin. Those small sub-basins contain sufficient information, not only on climate and land surface, but also on hydrological characteristics for the large basin In the Baltic Sea drainage basin, best discharge estimation for the gauged area was achieved with sub-basins that cover 2-4% of the gauged area. There exist multiple sets of sub-basins that resemble the climate and hydrology of the basin equally well. Those multiple sets estimate annual discharge for gauged area consistently well with 5% average error. The scale-extrapolation method is completely data-based; therefore it does not force any modelling error into the prediction. The multiple predictions are expected to bracket the inherent variations and uncertainties of the climate and hydrology of the basin. The method can be applied in both un-gauged basins and un-gauged periods with uncertainty estimation.

Computer simulations of phase field drops on super-hydrophobic surfaces

NASA Astrophysics Data System (ADS)

Fedeli, Livio

2017-09-01

We present a novel quasi-Newton continuation procedure that efficiently solves the system of nonlinear equations arising from the discretization of a phase field model for wetting phenomena. We perform a comparative numerical analysis that shows the improved speed of convergence gained with respect to other numerical schemes. Moreover, we discuss the conditions that, on a theoretical level, guarantee the convergence of this method. At each iterative step, a suitable continuation procedure develops and passes to the nonlinear solver an accurate initial guess. Discretization performs through cell-centered finite differences. The resulting system of equations is solved on a composite grid that uses dynamic mesh refinement and multi-grid techniques. The final code achieves three-dimensional, realistic computer experiments comparable to those produced in laboratory settings. This code offers not only new insights into the phenomenology of super-hydrophobicity, but also serves as a reliable predictive tool for the study of hydrophobic surfaces.

Roughness effects on thermal-infrared emissivities estimated from remotely sensed images

NASA Astrophysics Data System (ADS)

Mushkin, Amit; Danilina, Iryna; Gillespie, Alan R.; Balick, Lee K.; McCabe, Matthew F.

2007-10-01

Multispectral thermal-infrared images from the Mauna Loa caldera in Hawaii, USA are examined to study the effects of surface roughness on remotely retrieved emissivities. We find up to a 3% decrease in spectral contrast in ASTER (Advanced Spaceborne Thermal Emission and Reflection Radiometer) 90-m/pixel emissivities due to sub-pixel surface roughness variations on the caldera floor. A similar decrease in spectral contrast of emissivities extracted from MASTER (MODIS/ASTER Airborne Simulator) ~12.5-m/pixel data can be described as a function of increasing surface roughness, which was measured remotely from ASTER 15-m/pixel stereo images. The ratio between ASTER stereo images provides a measure of sub-pixel surface-roughness variations across the scene. These independent roughness estimates complement a radiosity model designed to quantify the unresolved effects of multiple scattering and differential solar heating due to sub-pixel roughness elements and to compensate for both sub-pixel temperature dispersion and cavity radiation on TIR measurements.

Finite Element Modeling of Coupled Flexible Multibody Dynamics and Liquid Sloshing

DTIC Science & Technology

2006-09-01

tanks is presented. The semi-discrete combined solid and fluid equations of motions are integrated using a time- accurate parallel explicit solver...Incompressible fluid flow in a moving/deforming container including accurate modeling of the free-surface, turbulence, and viscous effects ...paper, a single computational code which uses a time- accurate explicit solution procedure is used to solve both the solid and fluid equations of

On the consistency between nearest-neighbor peridynamic discretizations and discretized classical elasticity models

DOE PAGES

Seleson, Pablo; Du, Qiang; Parks, Michael L.

2016-08-16

The peridynamic theory of solid mechanics is a nonlocal reformulation of the classical continuum mechanics theory. At the continuum level, it has been demonstrated that classical (local) elasticity is a special case of peridynamics. Such a connection between these theories has not been extensively explored at the discrete level. This paper investigates the consistency between nearest-neighbor discretizations of linear elastic peridynamic models and finite difference discretizations of the Navier–Cauchy equation of classical elasticity. While nearest-neighbor discretizations in peridynamics have been numerically observed to present grid-dependent crack paths or spurious microcracks, this paper focuses on a different, analytical aspect of suchmore » discretizations. We demonstrate that, even in the absence of cracks, such discretizations may be problematic unless a proper selection of weights is used. Specifically, we demonstrate that using the standard meshfree approach in peridynamics, nearest-neighbor discretizations do not reduce, in general, to discretizations of corresponding classical models. We study nodal-based quadratures for the discretization of peridynamic models, and we derive quadrature weights that result in consistency between nearest-neighbor discretizations of peridynamic models and discretized classical models. The quadrature weights that lead to such consistency are, however, model-/discretization-dependent. We motivate the choice of those quadrature weights through a quadratic approximation of displacement fields. The stability of nearest-neighbor peridynamic schemes is demonstrated through a Fourier mode analysis. Finally, an approach based on a normalization of peridynamic constitutive constants at the discrete level is explored. This approach results in the desired consistency for one-dimensional models, but does not work in higher dimensions. The results of the work presented in this paper suggest that even though nearest-neighbor discretizations should be avoided in peridynamic simulations involving cracks, such discretizations are viable, for example for verification or validation purposes, in problems characterized by smooth deformations. Furthermore, we demonstrate that better quadrature rules in peridynamics can be obtained based on the functional form of solutions.« less

A Varifold Approach to Surface Approximation

NASA Astrophysics Data System (ADS)

Buet, Blanche; Leonardi, Gian Paolo; Masnou, Simon

2017-11-01

We show that the theory of varifolds can be suitably enriched to open the way to applications in the field of discrete and computational geometry. Using appropriate regularizations of the mass and of the first variation of a varifold we introduce the notion of approximate mean curvature and show various convergence results that hold, in particular, for sequences of discrete varifolds associated with point clouds or pixel/voxel-type discretizations of d-surfaces in the Euclidean n-space, without restrictions on dimension and codimension. The variational nature of the approach also allows us to consider surfaces with singularities, and in that case the approximate mean curvature is consistent with the generalized mean curvature of the limit surface. A series of numerical tests are provided in order to illustrate the effectiveness and generality of the method.

Complementary hydro-mechanical coupled finite/discrete element and microseismic modelling to predict hydraulic fracture propagation in tight shale reservoirs

NASA Astrophysics Data System (ADS)

Profit, Matthew; Dutko, Martin; Yu, Jianguo; Cole, Sarah; Angus, Doug; Baird, Alan

2016-04-01

This paper presents a novel approach to predict the propagation of hydraulic fractures in tight shale reservoirs. Many hydraulic fracture modelling schemes assume that the fracture direction is pre-seeded in the problem domain discretisation. This is a severe limitation as the reservoir often contains large numbers of pre-existing fractures that strongly influence the direction of the propagating fracture. To circumvent these shortcomings, a new fracture modelling treatment is proposed where the introduction of discrete fracture surfaces is based on new and dynamically updated geometrical entities rather than the topology of the underlying spatial discretisation. Hydraulic fracturing is an inherently coupled engineering problem with interactions between fluid flow and fracturing when the stress state of the reservoir rock attains a failure criterion. This work follows a staggered hydro-mechanical coupled finite/discrete element approach to capture the key interplay between fluid pressure and fracture growth. In field practice, the fracture growth is hidden from the design engineer and microseismicity is often used to infer hydraulic fracture lengths and directions. Microseismic output can also be computed from changes of the effective stress in the geomechanical model and compared against field microseismicity. A number of hydraulic fracture numerical examples are presented to illustrate the new technology.

Large-eddy simulation of a backward facing step flow using a least-squares spectral element method

NASA Technical Reports Server (NTRS)

Chan, Daniel C.; Mittal, Rajat

1996-01-01

We report preliminary results obtained from the large eddy simulation of a backward facing step at a Reynolds number of 5100. The numerical platform is based on a high order Legendre spectral element spatial discretization and a least squares time integration scheme. A non-reflective outflow boundary condition is in place to minimize the effect of downstream influence. Smagorinsky model with Van Driest near wall damping is used for sub-grid scale modeling. Comparisons of mean velocity profiles and wall pressure show good agreement with benchmark data. More studies are needed to evaluate the sensitivity of this method on numerical parameters before it is applied to complex engineering problems.

MEASUREMENTS OF PAST 14C LEVELS AND 13C/12C RATIOS IN THE SURFACE WATERS OF THE WORLD'S SUBPOLAR OCEANS.

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

Brown, T A

2010-04-22

Under this project we have developed methods that allow the reconstruction of past {sup 14}C levels of the surface waters of the subpolar North Pacific Ocean by measuring the {sup 14}C contents of archived salmon scales. The overall goal of this research was to reduce of the uncertainty in the uptake of fossil CO{sub 2} by the oceans and thereby improve the quantification of the global carbon cycle and to elucidate the fate of anthropogenic CO{sub 2}. Ocean General Circulation Models (OGCMs), with their three dimensional global spatial coverage and temporal modeling capabilities, provide the best route to accurately calculatingmore » the total uptake of CO{sub 2} by the oceans and, hence, to achieving the desired reduction in uncertainty. {sup 14}C has played, and continues to play, a central role in the validation of the OGCMs calculations, particularly with respect to those model components which govern the uptake of CO{sub 2} from the atmosphere and the transport of this carbon within the oceans. Under this project, we have developed time-series records of the {sup 14}C levels of the surface waters of three areas of the subpolar North Pacific Ocean. As the previously available data on the time-history of oceanic surface water {sup 14}C levels are very limited, these time-series records provide significant new {sup 14}C data to constrain and validate the OGCMs.« less

Spatially Distributed Assimilation of Remotely Sensed Leaf Area Index and Potential Evapotranspiration for Hydrologic Modeling in Wetland Landscapes

EPA Science Inventory

Evapotranspiration (ET), a highly dynamic flux in wetland landscapes, regulates the accuracy of surface/sub-surface runoff simulation in a hydrologic model. However, considerable uncertainty in simulating ET-related processes remains, including our limited ability to incorporate ...

Balloon profiles of stratospheric NO[sub 2] and HNO[sub 3] for testing the heterogeneous hydrolysis of N[sub 2]O[sub 5] on sulfate aerosols

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

Webster, C.R.; May, R.D.; Allen, M.

1994-01-01

Simultaneous in situ measurements of stratospheric NO[sub 2], HNO[sub 3], HCl, and CH[sub 4] from 34 to 24 km were made in August 1992 from Palestine, Texas, using the Balloon-borne Laser In-Situ Sensor (BLISS) tunable diode laser spectrometer. Although the measurements of NO[sub 2], HNO[sub 3], and NO[sub 2]/HNO[sub 3] agree well with gas-phase model calculations near 34 km where SAGE II data show little sulfate aerosol, this is not true at the lower altitudes where SAGE II shows high aerosol loadings. At 24 km the BLISS NO[sub 2] and HNO[sub 3] measurements are 70% lower, and 50% higher, respectively,more » than the gas phase model predictions, with a measured NO[sub 2]/HNO[sub 3] ratio 5 times smaller. When the heterogeneous hydrolysis of N[sub 2]O[sub 5] and ClONO[sub 2] on sulfate aerosol of surface area densities matching the SAGE II measurements is added to the model, good agreement with the BLISS measurements is found over the whole altitude range. 24 refs., 4 figs., 1 tab.« less

Congestion Pricing for Aircraft Pushback Slot Allocation.

PubMed

Liu, Lihua; Zhang, Yaping; Liu, Lan; Xing, Zhiwei

2017-01-01

In order to optimize aircraft pushback management during rush hour, aircraft pushback slot allocation based on congestion pricing is explored while considering monetary compensation based on the quality of the surface operations. First, the concept of the "external cost of surface congestion" is proposed, and a quantitative study on the external cost is performed. Then, an aircraft pushback slot allocation model for minimizing the total surface cost is established. An improved discrete differential evolution algorithm is also designed. Finally, a simulation is performed on Xinzheng International Airport using the proposed model. By comparing the pushback slot control strategy based on congestion pricing with other strategies, the advantages of the proposed model and algorithm are highlighted. In addition to reducing delays and optimizing the delay distribution, the model and algorithm are better suited for use for actual aircraft pushback management during rush hour. Further, it is also observed they do not result in significant increases in the surface cost. These results confirm the effectiveness and suitability of the proposed model and algorithm.

Congestion Pricing for Aircraft Pushback Slot Allocation

PubMed Central

Zhang, Yaping

2017-01-01

In order to optimize aircraft pushback management during rush hour, aircraft pushback slot allocation based on congestion pricing is explored while considering monetary compensation based on the quality of the surface operations. First, the concept of the “external cost of surface congestion” is proposed, and a quantitative study on the external cost is performed. Then, an aircraft pushback slot allocation model for minimizing the total surface cost is established. An improved discrete differential evolution algorithm is also designed. Finally, a simulation is performed on Xinzheng International Airport using the proposed model. By comparing the pushback slot control strategy based on congestion pricing with other strategies, the advantages of the proposed model and algorithm are highlighted. In addition to reducing delays and optimizing the delay distribution, the model and algorithm are better suited for use for actual aircraft pushback management during rush hour. Further, it is also observed they do not result in significant increases in the surface cost. These results confirm the effectiveness and suitability of the proposed model and algorithm. PMID:28114429

Protonation enthalpies of metal oxides from high temperature electrophoresis.

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

Rodriguez-Santiago, V; Fedkin, Mark V; Lvov, Serguei N.

2012-01-01

Surface protonation reactions play an important role in the behavior of mineral and colloidal systems, specifically in hydrothermal aqueous environments. However, studies addressing the reactions at the solid/liquid interface at temperatures above 100 C are scarce. In this study, newly and previously obtained high temperature electrophoresis data (up to 260 C) - zeta potentials and isoelectric points - for metal oxides, including SiO{sub 2}, SnO{sub 2}, ZrO{sub 2}, TiO{sub 2}, and Fe{sub 3}O{sub 4}, were used in thermodynamic analysis to derive the standard enthalpies of their surface protonation. Two different approaches were used for calculating the protonation enthalpy: one ismore » based on thermodynamic description of the 1-pKa model for surface protonation, and another one - on a combination of crystal chemistry and solvation theories which link the relative permittivity of the solid phase and the ratio of the Pauling bond strength and bond length to standard protonation enthalpy. From this analysis, two expressions relating the protonation enthalpy to the relative permittivity of the solid phase were obtained.« less

Small-kernel, constrained least-squares restoration of sampled image data

NASA Technical Reports Server (NTRS)

Hazra, Rajeeb; Park, Stephen K.

1992-01-01

Following the work of Park (1989), who extended a derivation of the Wiener filter based on the incomplete discrete/discrete model to a more comprehensive end-to-end continuous/discrete/continuous model, it is shown that a derivation of the constrained least-squares (CLS) filter based on the discrete/discrete model can also be extended to this more comprehensive continuous/discrete/continuous model. This results in an improved CLS restoration filter, which can be efficiently implemented as a small-kernel convolution in the spatial domain.

Positron-induced Auger-electron study of the Ge(100) surface: Positron thermal desorption and surface condition

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

Soininen, E.; Schwab, A.; Lynn, K.G.

1991-05-01

Positron-annihilation-induced Auger-electron spectroscopy (PAES) was used to study the effects of oxygen, residual gases, and temperature on a Ge(100) surface. Three low-energy Auger peaks were detected at 50, 90, and 100--150 eV, attributed to {ital M}{sub 2,3}{ital M4}{ital M4}, {ital M}{sub 2,3}{ital M4}{ital V}, and {ital M}{sub 1}{ital M4}{ital M4} Auger transitions, respectively. An estimated (4{plus minus}1)% of the surface-trapped positrons annihilate with Ge 3{ital p}--level electrons. The sensitivity of PAES to the surface condition is demonstrated. The PAES yield from a Ge(100) surface is reduced at elevated temperatures, in accord with an activation process earlier found in several positroniummore » (Ps) -fraction experiments. A desorption model adopted from these studies does not describe accurately the PAES results at higher temperatures ({gt}500 {degree}C), where the PAES intensity levels off to 5% of the room-temperature value. Possible sources for the discrepancy are discussed and models for positron trapping to deep surface traps are introduced. On the Ge(100) surface, an upper limit for Ps emission near the melting point is 97%. The error in calibration parameters due to the earlier assumption of 100% Ps emission seems to introduce only small errors into the Ps-fraction measurements.« less

Central Limit Theorem for Exponentially Quasi-local Statistics of Spin Models on Cayley Graphs

NASA Astrophysics Data System (ADS)

Reddy, Tulasi Ram; Vadlamani, Sreekar; Yogeshwaran, D.

2018-04-01

Central limit theorems for linear statistics of lattice random fields (including spin models) are usually proven under suitable mixing conditions or quasi-associativity. Many interesting examples of spin models do not satisfy mixing conditions, and on the other hand, it does not seem easy to show central limit theorem for local statistics via quasi-associativity. In this work, we prove general central limit theorems for local statistics and exponentially quasi-local statistics of spin models on discrete Cayley graphs with polynomial growth. Further, we supplement these results by proving similar central limit theorems for random fields on discrete Cayley graphs taking values in a countable space, but under the stronger assumptions of α -mixing (for local statistics) and exponential α -mixing (for exponentially quasi-local statistics). All our central limit theorems assume a suitable variance lower bound like many others in the literature. We illustrate our general central limit theorem with specific examples of lattice spin models and statistics arising in computational topology, statistical physics and random networks. Examples of clustering spin models include quasi-associated spin models with fast decaying covariances like the off-critical Ising model, level sets of Gaussian random fields with fast decaying covariances like the massive Gaussian free field and determinantal point processes with fast decaying kernels. Examples of local statistics include intrinsic volumes, face counts, component counts of random cubical complexes while exponentially quasi-local statistics include nearest neighbour distances in spin models and Betti numbers of sub-critical random cubical complexes.

Aerosol Radiative Forcing over­­­­­­ North-East India: Synergy of Model simulation and ground based observations

NASA Astrophysics Data System (ADS)

Pathak, B.

2015-12-01

The diurnal evolution of shortwave solar radiance at the surface has been investigated from Kipp and Zonen CNR4 net radiometer measurements in a humid sub-tropical location Dibrugarh in the North Eastern region of India. Data for a total of 345 clear days within a span of two years during March 2013- January 2015 are analyzed which are further utilized to validate the Santa Barbara Discrete Ordinate Radiative Transfer (SBDART) simulated flux. The diurnal evolution of solar radiation maximizes in its amplitude in monsoon months (JJAS) and is minimum during the winter months (DJF) prescribed by the Northern Hemisphere routine. The net shortwave radiation increases from the minimum value of ~100 Wm-2 at the beginning of the year and attains maximum ~300 Wm-2 during monsoon. Both the measured and model simulated diurnal and seasonal solar flux exhibit similar behaviour at the surface with good correlation with R2~ 0.98-0.99. The present study also focuses on the validation of the surface albedo and the albedo retrieved from the Moderate Resolution Imaging Spectroradiometer (MODIS) measurements by the CNR4 net Radiometer measurements, which again shows a good agreement. This validation is essential for the reliability of satellite retrieved surface reflectance that are being utilised in the radiative transfer models. In order to study the influence of the aerosols upon the incoming solar irradiances the aerosol radiative forcing (ARF) and aerosol radiative forcing efficiency (ARFE) is estimated. The ARFEsurface during the Winter is the highest (-75.02 ± 8.03 W m-2 τ-1) and minimum during Retreating Monsoon (ON) (-58.40 ±25.03 W m-2 τ-1). For both the modeled and the field based estimation, the aerosol radiative forcing obtained during the study period ranged from -39 ±6 Wm-2 to -10 ±4 Wm-2 at the surface and 10±3 Wm-2 to 28±7 Wm-2 at the atmosphere and -7±4 Wm-2 to -10 ±3 Wm-2 at the TOA. The measured and the model ARF values differ by 5 - 8 % in winter and premonsoon and almost ~6% in monsoon. The average atmospheric heating rate is maximum in pre-monsoon for both the estimations. The observation of ARF is further compared with the ICTP's RegCM4 model in order to acquire the model utility in the location where measurements are not feasible.

Determination of the density of surface states at the semiconductor-insulator interface in a metal-insulator-semiconductor structure

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

Gulyamov, G., E-mail: Gulyamov1949@rambler.ru; Sharibaev, N. U.

2011-02-15

The temporal dependence of thermal generation of electrons from occupied surface states at the semiconductor-insulator interface in a metal-insulator-semiconductor structure is studied. It is established that, at low temperatures, the derivative of the probability of depopulation of occupied surface states with respect to energy is represented by the Dirac {delta} function. It is shown that the density of states of a finite number of discrete energy levels under high-temperature measurements manifests itself as a continuous spectrum, whereas this spectrum appears discrete at low temperatures. A method for processing the continuous spectrum of the density of surface states is suggested thatmore » method makes it possible to determine the discrete energy spectrum. The obtained results may be conducive to an increase in resolution of the method of non-stationary spectroscopy of surface states.« less

Validity of the site-averaging approximation for modeling the dissociative chemisorption of H{sub 2} on Cu(111) surface: A quantum dynamics study on two potential energy surfaces

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

Liu, Tianhui; Fu, Bina, E-mail: bina@dicp.ac.cn, E-mail: zhangdh@dicp.ac.cn; Zhang, Dong H., E-mail: bina@dicp.ac.cn, E-mail: zhangdh@dicp.ac.cn

A new finding of the site-averaging approximation was recently reported on the dissociative chemisorption of the HCl/DCl+Au(111) surface reaction [T. Liu, B. Fu, and D. H. Zhang, J. Chem. Phys. 139, 184705 (2013); T. Liu, B. Fu, and D. H. Zhang, J. Chem. Phys. 140, 144701 (2014)]. Here, in order to investigate the dependence of new site-averaging approximation on the initial vibrational state of H{sub 2} as well as the PES for the dissociative chemisorption of H{sub 2} on Cu(111) surface at normal incidence, we carried out six-dimensional quantum dynamics calculations using the initial state-selected time-dependent wave packet approach, withmore » H{sub 2} initially in its ground vibrational state and the first vibrational excited state. The corresponding four-dimensional site-specific dissociation probabilities are also calculated with H{sub 2} fixed at bridge, center, and top sites. These calculations are all performed based on two different potential energy surfaces (PESs). It is found that the site-averaging dissociation probability over 15 fixed sites obtained from four-dimensional quantum dynamics calculations can accurately reproduce the six-dimensional dissociation probability for H{sub 2} (v = 0) and (v = 1) on the two PESs.« less

STICKING OF MOLECULES ON NONPOROUS AMORPHOUS WATER ICE

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

He, Jiao; Vidali, Gianfranco; Acharyya, Kinsuk, E-mail: gvidali@syr.edu

2016-05-20

Accurate modeling of physical and chemical processes in the interstellar medium (ISM) requires detailed knowledge of how atoms and molecules adsorb on dust grains. However, the sticking coefficient, a number between 0 and 1 that measures the first step in the interaction of a particle with a surface, is usually assumed in simulations of ISM environments to be either 0.5 or 1. Here we report on the determination of the sticking coefficient of H{sub 2}, D{sub 2}, N{sub 2}, O{sub 2}, CO, CH{sub 4}, and CO{sub 2} on nonporous amorphous solid water. The sticking coefficient was measured over a widemore » range of surface temperatures using a highly collimated molecular beam. We showed that the standard way of measuring the sticking coefficient—the King–Wells method—leads to the underestimation of trapping events in which there is incomplete energy accommodation of the molecule on the surface. Surface scattering experiments with the use of a pulsed molecular beam are used instead to measure the sticking coefficient. Based on the values of the measured sticking coefficient, we suggest a useful general formula of the sticking coefficient as a function of grain temperature and molecule-surface binding energy. We use this formula in a simulation of ISM gas–grain chemistry to find the effect of sticking on the abundance of key molecules both on grains and in the gas phase.« less

A New Global Potential Energy Surface for the Hydroperoxyl Radical, HO2: Reaction Coefficients for H + O2 and Vibrational Splittings for H Atom Transfer

NASA Technical Reports Server (NTRS)

Dateo, Christopher E.; Arnold, James O. (Technical Monitor)

1994-01-01

A new analytic global potential energy surface describing the hydroperoxyl radical system H((sup 2)S) + O2(X (sup 3)Sigma((sup -)(sub g))) (reversible reaction) HO2 ((X-tilde) (sup 2)A'') (reversible reaction) O((sup 3)P) + O H (X (sup 2)Pi) has been fitted using the ab initio complete active space SCF (self-consistent-field)/externally contracted configuration interaction (CASSCF/CCI) energy calculations of Walch and Duchovic. Results of quasiclassical trajectory studies to determine the rate coefficients of the forward and reverse reactions at combustion temperatures will be presented. In addition, vibrational energy levels were calculated using the quantum DVR-DGB (discrete variable representation-distributed Gaussian basis) method and the splitting due to H atom migration is investigated. The material of the proposed presentation was reviewed and the technical content will not reveal any information not already in the public domain and will not give any foreign industry or government a competitive advantage.

An isogeometric boundary element method for electromagnetic scattering with compatible B-spline discretizations

NASA Astrophysics Data System (ADS)

Simpson, R. N.; Liu, Z.; Vázquez, R.; Evans, J. A.

2018-06-01

We outline the construction of compatible B-splines on 3D surfaces that satisfy the continuity requirements for electromagnetic scattering analysis with the boundary element method (method of moments). Our approach makes use of Non-Uniform Rational B-splines to represent model geometry and compatible B-splines to approximate the surface current, and adopts the isogeometric concept in which the basis for analysis is taken directly from CAD (geometry) data. The approach allows for high-order approximations and crucially provides a direct link with CAD data structures that allows for efficient design workflows. After outlining the construction of div- and curl-conforming B-splines defined over 3D surfaces we describe their use with the electric and magnetic field integral equations using a Galerkin formulation. We use Bézier extraction to accelerate the computation of NURBS and B-spline terms and employ H-matrices to provide accelerated computations and memory reduction for the dense matrices that result from the boundary integral discretization. The method is verified using the well known Mie scattering problem posed over a perfectly electrically conducting sphere and the classic NASA almond problem. Finally, we demonstrate the ability of the approach to handle models with complex geometry directly from CAD without mesh generation.

A priori discretization error metrics for distributed hydrologic modeling applications

NASA Astrophysics Data System (ADS)

Liu, Hongli; Tolson, Bryan A.; Craig, James R.; Shafii, Mahyar

2016-12-01

Watershed spatial discretization is an important step in developing a distributed hydrologic model. A key difficulty in the spatial discretization process is maintaining a balance between the aggregation-induced information loss and the increase in computational burden caused by the inclusion of additional computational units. Objective identification of an appropriate discretization scheme still remains a challenge, in part because of the lack of quantitative measures for assessing discretization quality, particularly prior to simulation. This study proposes a priori discretization error metrics to quantify the information loss of any candidate discretization scheme without having to run and calibrate a hydrologic model. These error metrics are applicable to multi-variable and multi-site discretization evaluation and provide directly interpretable information to the hydrologic modeler about discretization quality. The first metric, a subbasin error metric, quantifies the routing information loss from discretization, and the second, a hydrological response unit (HRU) error metric, improves upon existing a priori metrics by quantifying the information loss due to changes in land cover or soil type property aggregation. The metrics are straightforward to understand and easy to recode. Informed by the error metrics, a two-step discretization decision-making approach is proposed with the advantage of reducing extreme errors and meeting the user-specified discretization error targets. The metrics and decision-making approach are applied to the discretization of the Grand River watershed in Ontario, Canada. Results show that information loss increases as discretization gets coarser. Moreover, results help to explain the modeling difficulties associated with smaller upstream subbasins since the worst discretization errors and highest error variability appear in smaller upstream areas instead of larger downstream drainage areas. Hydrologic modeling experiments under candidate discretization schemes validate the strong correlation between the proposed discretization error metrics and hydrologic simulation responses. Discretization decision-making results show that the common and convenient approach of making uniform discretization decisions across the watershed performs worse than the proposed non-uniform discretization approach in terms of preserving spatial heterogeneity under the same computational cost.

First Results from a Forward, 3-Dimensional Regional Model of a Transpressional San Andreas Fault System

NASA Astrophysics Data System (ADS)

Fitzenz, D. D.; Miller, S. A.

2001-12-01

We present preliminary results from a 3-dimensional fault interaction model, with the fault system specified by the geometry and tectonics of the San Andreas Fault (SAF) system. We use the forward model for earthquake generation on interacting faults of Fitzenz and Miller [2001] that incorporates the analytical solutions of Okada [85,92], GPS-constrained tectonic loading, creep compaction and frictional dilatancy [Sleep and Blanpied, 1994, Sleep, 1995], and undrained poro-elasticity. The model fault system is centered at the Big Bend, and includes three large strike-slip faults (each discretized into multiple subfaults); 1) a 300km, right-lateral segment of the SAF to the North, 2) a 200km-long left-lateral segment of the Garlock fault to the East, and 3) a 100km-long right-lateral segment of the SAF to the South. In the initial configuration, three shallow-dipping faults are also included that correspond to the thrust belt sub-parallel to the SAF. Tectonic loading is decomposed into basal shear drag parallel to the plate boundary with a 35mm yr-1 plate velocity, and East-West compression approximated by a vertical dislocation surface applied at the far-field boundary resulting in fault-normal compression rates in the model space about 4mm yr-1. Our aim is to study the long-term seismicity characteristics, tectonic evolution, and fault interaction of this system. We find that overpressured faults through creep compaction are a necessary consequence of the tectonic loading, specifically where high normal stress acts on long straight fault segments. The optimal orientation of thrust faults is a function of the strike-slip behavior, and therefore results in a complex stress state in the elastic body. This stress state is then used to generate new fault surfaces, and preliminary results of dynamically generated faults will also be presented. Our long-term aim is to target measurable properties in or around fault zones, (e.g. pore pressures, hydrofractures, seismicity catalogs, stress orientation, surface strain, triggering, etc.), which may allow inferences on the stress state of fault systems.

Non-equilibrium Green's functions study of discrete dopants variability on an ultra-scaled FinFET

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

Valin, R., E-mail: r.valinferreiro@swansea.ac.uk; Martinez, A., E-mail: a.e.Martinez@swansea.ac.uk; Barker, J. R., E-mail: john.barker@glasgow.ac.uk

In this paper, we study the effect of random discrete dopants on the performance of a 6.6 nm channel length silicon FinFET. The discrete dopants have been distributed randomly in the source/drain region of the device. Due to the small dimensions of the FinFET, a quantum transport formalism based on the non-equilibrium Green's functions has been deployed. The transfer characteristics for several devices that differ in location and number of dopants have been calculated. Our results demonstrate that discrete dopants modify the effective channel length and the height of the source/drain barrier, consequently changing the channel control of the charge. Thismore » effect becomes more significant at high drain bias. As a consequence, there is a strong effect on the variability of the on-current, off-current, sub-threshold slope, and threshold voltage. Finally, we have also calculated the mean and standard deviation of these parameters to quantify their variability. The obtained results show that the variability at high drain bias is 1.75 larger than at low drain bias. However, the variability of the on-current, off-current, and sub-threshold slope remains independent of the drain bias. In addition, we have found that a large source to drain current by tunnelling current occurs at low gate bias.« less

Interpretation of third phase formation in the Th(IV)-HNO{sub3}, TBP-n-octane system with baxter's sticky spheres model.

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

Chiarizia, R.; Jensen, M. P.; Borkowski, M.

2004-01-01

Small-angle neutron scattering (SANS) data for the tri-n-butylphosphate (TBP)-n-octane, HNO{sub 3}-Th(NO{sub 3}){sub 4} solvent extraction system, obtained under a variety of experimental conditions, have been interpreted using two different models. The particle growth model led to unrealistic results. The Baxter model for hard-spheres with surface adhesion, on the other hand, was more successful. According to this model, the increase in scattering intensity in the low Q range observed when increasing amounts of Th(NO{sub 3}){sub 4} are extracted into the organic phase, has been interpreted as arising from interactions between small reverse micelles containing three TBP molecules. Upon extraction of Th(NO{submore » 3}){sub 4}, the micelles interact through attractive forces between their polar cores with a potential energy of up to about 2 k{sub B}T. The intermicellar attraction, under suitable conditions, leads to third phase formation. Upon phase splitting, most of the solutes of the original organic phase separate in a continuous phase containing interspersed layers of n-octane.« less

Urban flood simulation and prioritization of critical urban sub-catchments using SWMM model and PROMETHEE II approach

NASA Astrophysics Data System (ADS)

Babaei, Sahar; Ghazavi, Reza; Erfanian, Mahdi

2018-06-01

Urban runoff increased due to augment of impervious surfaces. In order to flood mitigation during rainy season, determination of critical urban sub-catchments is very important for urban planners. Due to lack of information, adopting a simulation approach is one of the practical ways to identify the surcharged junctions and critical sub-catchments. Occurrence of destructive floods in the rainy seasons indicates the inappropriateness of the urban drainage system in Urmia. The main aims of this study were to estimate the surface runoff of urban sub-catchments using SWMM, to evaluate the accuracy of the drainage system of the study urban area and to prioritize sub-catchments using PROMETHEE II approach and SWMM. In the present study, the occurrence of rainfall event of the Urmia city (West Azerbaijan province, Iran) used for estimation of runoff depth. The study area was divided into 22 sub-catchments. For calibration and validation of model parameters, 3 rainfall events and their related runoff were measured. According to sensitivity analysis CN was the most sensitive parameter for model calibration. Amount of surcharged conduits and junctions indicates that the drainage system of the study area has not enough capacity for converting of the runoff and. For 10 year return period, depth of channels should increase by 20% for prevention of flooding in these sub-catchments. Sub-catchments were prioritized using PROMETHEE II approach and its results were compared with SWMM simulation outcomes. Based on SWMM simulation, S11, S7, S18, S16 and S1 sub-catchments are more critical sub-catchments respectively, while according to PROMETHEE method, S1, S11, S16, S14 and S18 are determined as the critical areas.

Effects of discrete-electrode arrangement on traveling-wave electroosmotic pumping

NASA Astrophysics Data System (ADS)

Liu, Weiyu; Shao, Jinyou; Ren, Yukun; Wu, Yupan; Wang, Chunhui; Ding, Haitao; Jiang, Hongyuan; Ding, Yucheng

2016-09-01

Traveling-wave electroosmotic (TWEO) pumping arises from the action of an imposed traveling-wave (TW) electric field on its own induced charge in the diffuse double layer, which is formed on top of an electrode array immersed in electrolyte solutions. Such a traveling field can be merely realized in practice by a discrete electrode array upon which the corresponding voltages of correct phase are imposed. By employing the theory of linear and weakly nonlinear double-layer charging dynamics, a physical model incorporating both the nonlinear surface capacitance of diffuse layer and Faradaic current injection is developed herein in order to quantify the changes in TWEO pumping performance from a single-mode TW to discrete electrode configuration. Benefiting from the linear analysis, we investigate the influence of using discrete electrode array to create the TW signal on the resulting fluid motion, and several approaches are suggested to improve the pumping performance. In the nonlinear regime, our full numerical analysis considering the intervening isolation spacing indicates that a practical four-phase discrete electrode configuration of equal electrode and gap width exhibits stronger nonlinearity than expected from the idealized pump applied with a single-mode TW in terms of voltage-dependence of the ideal pumping frequency and peak flow rate, though it has a much lower pumping performance. For model validation, pumping of electrolytes by TWEO is achieved over a confocal spiral four-phase electrode array covered by an insulating microchannel; measurement of flow velocity indicates the modified nonlinear theory considering moderate Faradaic conductance is indeed a more accurate physical description of TWEO. These results offer useful guidelines for designing high-performance TWEO microfluidic pumps with discrete electrode array.

Cyber-Physical Correlations for Infrastructure Resilience: A Game-Theoretic Approach

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

Rao, Nageswara S; He, Fei; Ma, Chris Y. T.

In several critical infrastructures, the cyber and physical parts are correlated so that disruptions to one affect the other and hence the whole system. These correlations may be exploited to strategically launch components attacks, and hence must be accounted for ensuring the infrastructure resilience, specified by its survival probability. We characterize the cyber-physical interactions at two levels: (i) the failure correlation function specifies the conditional survival probability of cyber sub-infrastructure given the physical sub-infrastructure as a function of their marginal probabilities, and (ii) the individual survival probabilities of both sub-infrastructures are characterized by first-order differential conditions. We formulate a resiliencemore » problem for infrastructures composed of discrete components as a game between the provider and attacker, wherein their utility functions consist of an infrastructure survival probability term and a cost term expressed in terms of the number of components attacked and reinforced. We derive Nash Equilibrium conditions and sensitivity functions that highlight the dependence of infrastructure resilience on the cost term, correlation function and sub-infrastructure survival probabilities. These results generalize earlier ones based on linear failure correlation functions and independent component failures. We apply the results to models of cloud computing infrastructures and energy grids.« less

Quantum robots plus environments.

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

Benioff, P.

1998-07-23

A quantum robot is a mobile quantum system, including an on board quantum computer and needed ancillary systems, that interacts with an environment of quantum systems. Quantum robots carry out tasks whose goals include making specified changes in the state of the environment or carrying out measurements on the environment. The environments considered so far, oracles, data bases, and quantum registers, are seen to be special cases of environments considered here. It is also seen that a quantum robot should include a quantum computer and cannot be simply a multistate head. A model of quantum robots and their interactions ismore » discussed in which each task, as a sequence of alternating computation and action phases,is described by a unitary single time step operator T {approx} T{sub a} + T{sub c} (discrete space and time are assumed). The overall system dynamics is described as a sum over paths of completed computation (T{sub c}) and action (T{sub a}) phases. A simple example of a task, measuring the distance between the quantum robot and a particle on a 1D lattice with quantum phase path dispersion present, is analyzed. A decision diagram for the task is presented and analyzed.« less

Improving operational land surface model canopy evapotranspiration in Africa using a direct remote sensing approach

NASA Astrophysics Data System (ADS)

Marshall, M.; Tu, K.; Funk, C.; Michaelsen, J.; Williams, P.; Williams, C.; Ardö, J.; Boucher, M.; Cappelaere, B.; de Grandcourt, A.; Nickless, A.; Nouvellon, Y.; Scholes, R.; Kutsch, W.

2013-03-01

Climate change is expected to have the greatest impact on the world's economically poor. In the Sahel, a climatically sensitive region where rain-fed agriculture is the primary livelihood, expected decreases in water supply will increase food insecurity. Studies on climate change and the intensification of the water cycle in sub-Saharan Africa are few. This is due in part to poor calibration of modeled evapotranspiration (ET), a key input in continental-scale hydrologic models. In this study, a remote sensing model of transpiration (the primary component of ET), driven by a time series of vegetation indices, was used to substitute transpiration from the Global Land Data Assimilation System realization of the National Centers for Environmental Prediction, Oregon State University, Air Force, and Hydrology Research Laboratory at National Weather Service Land Surface Model (GNOAH) to improve total ET model estimates for monitoring purposes in sub-Saharan Africa. The performance of the hybrid model was compared against GNOAH ET and the remote sensing method using eight eddy flux towers representing major biomes of sub-Saharan Africa. The greatest improvements in model performance were at humid sites with dense vegetation, while performance at semi-arid sites was poor, but better than the models before hybridization. The reduction in errors using the hybrid model can be attributed to the integration of a simple canopy scheme that depends primarily on low bias surface climate reanalysis data and is driven primarily by a time series of vegetation indices.

Search Parameter Optimization for Discrete, Bayesian, and Continuous Search Algorithms

DTIC Science & Technology

2017-09-01

NAVAL POSTGRADUATE SCHOOL MONTEREY, CALIFORNIA THESIS SEARCH PARAMETER OPTIMIZATION FOR DISCRETE , BAYESIAN, AND CONTINUOUS SEARCH ALGORITHMS by...to 09-22-2017 4. TITLE AND SUBTITLE SEARCH PARAMETER OPTIMIZATION FOR DISCRETE , BAYESIAN, AND CON- TINUOUS SEARCH ALGORITHMS 5. FUNDING NUMBERS 6...simple search and rescue acts to prosecuting aerial/surface/submersible targets on mission. This research looks at varying the known discrete and

Modeling Tetragonal Lysozyme Crystal Growth Rates

NASA Technical Reports Server (NTRS)

Gorti, Sridhar; Forsythe, Elizabeth L.; Pusey, Marc L.

2003-01-01

Tetragonal lysozyme 110 face crystal growth rates, measured over 5 orders of magnitude in range, can be described using a model where growth occurs by 2D nucleation on the crystal surface for solution supersaturations of c/c(sub eq) less than or equal to 7 +/- 2. Based upon the model, the step energy per unit length, beta was estimated to be approx. 5.3 +/- 0.4 x 10(exp -7) erg/mol-cm, which for a step height of 56 A corresponds to barrier of approx. 7 +/- 1 k(sub B)T at 300 K. For supersaturations of c/c(sub eq) > 8, the model emphasizing crystal growth by 2D nucleation not only could not predict, but also consistently overestimated, the highest observable crystal growth rates. Kinetic roughening is hypothesized to occur at a cross-over supersaturation of c/c(sub eq) > 8, where crystal growth is postulated to occur by a different process such as adsorption. Under this assumption, all growth rate data indicated that a kinetic roughening transition and subsequent crystal growth by adsorption for all solution conditions, varying in buffer pH, temperature and precipitant concentration, occurs for c/c(sub eq)(T, pH, NaCl) in the range between 5 and 10, with an energy barrier for adsorption estimated to be approx. 20 k(sub B)T at 300 K. Based upon these and other estimates, we determined the size of the critical surface nucleate, at the crossover supersaturation and higher concentrations, to range from 4 to 10 molecules.

Sub-monolayer growth of Ag on flat and nanorippled SiO{sub 2} surfaces

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

Bhatnagar, Mukul; Ranjan, Mukesh; Mukherjee, Subroto

2016-05-30

In-situ Rutherford Backscattering Spectrometry (RBS) and Molecular Dynamics (MD) simulations have been used to investigate the growth dynamics of silver on a flat and the rippled silica surface. The calculated sticking coefficient of silver over a range of incidence angles shows a similar behaviour to the experimental results for an average surface binding energy of a silver adatom of 0.2 eV. This value was used to parameterise the MD model of the cumulative deposition of silver in order to understand the growth mechanisms. Both the model and the RBS results show marginal difference between the atomic concentration of silver on themore » flat and the rippled silica surface, for the same growth conditions. For oblique incidence, cluster growth occurs mainly on the leading edge of the rippled structure.« less

Electron-hole pair effects in methane dissociative chemisorption on Ni(111)

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

Luo, Xuan; Jiang, Bin, E-mail: bjiangch@ustc.edu.cn; Juaristi, J. Iñaki

The dissociative chemisorption of methane on metal surfaces has attracted much attention in recent years as a prototype of gas-surface reactions in understanding the mode specific and bond selective chemistry. In this work, we systematically investigate the influence of electron-hole pair excitations on the dissociative chemisorption of CH{sub 4}/CH{sub 3}D/CHD{sub 3} on Ni(111). The energy dissipation induced by surface electron-hole pair excitations is modeled as a friction force introduced in the generalized Langevin equation, in which the independent atomic friction coefficients are determined within the local-density friction approximation. Quasi-classical trajectory calculations for CH{sub 4}/CH{sub 3}D/CHD{sub 3} have been carried outmore » on a recently developed twelve-dimensional potential energy surface. Comparing the dissociation probabilities obtained with and without friction, our results clearly indicate that the electron-hole pair effects are generally small, both on absolute reactivity of each vibrational state and on the mode specificity and bond selectivity. Given similar observations in both water and methane dissociation processes, we conclude that electron-hole pair excitations would not play an important role as long as the reaction is direct and the interaction time between the molecule and metal electrons is relatively short.« less

Wavelet regression model in forecasting crude oil price

NASA Astrophysics Data System (ADS)

Hamid, Mohd Helmie; Shabri, Ani

2017-05-01

This study presents the performance of wavelet multiple linear regression (WMLR) technique in daily crude oil forecasting. WMLR model was developed by integrating the discrete wavelet transform (DWT) and multiple linear regression (MLR) model. The original time series was decomposed to sub-time series with different scales by wavelet theory. Correlation analysis was conducted to assist in the selection of optimal decomposed components as inputs for the WMLR model. The daily WTI crude oil price series has been used in this study to test the prediction capability of the proposed model. The forecasting performance of WMLR model were also compared with regular multiple linear regression (MLR), Autoregressive Moving Average (ARIMA) and Generalized Autoregressive Conditional Heteroscedasticity (GARCH) using root mean square errors (RMSE) and mean absolute errors (MAE). Based on the experimental results, it appears that the WMLR model performs better than the other forecasting technique tested in this study.

Efficient modeling of vector hysteresis using a novel Hopfield neural network implementation of Stoner–Wohlfarth-like operators

PubMed Central

Adly, Amr A.; Abd-El-Hafiz, Salwa K.

2012-01-01

Incorporation of hysteresis models in electromagnetic analysis approaches is indispensable to accurate field computation in complex magnetic media. Throughout those computations, vector nature and computational efficiency of such models become especially crucial when sophisticated geometries requiring massive sub-region discretization are involved. Recently, an efficient vector Preisach-type hysteresis model constructed from only two scalar models having orthogonally coupled elementary operators has been proposed. This paper presents a novel Hopfield neural network approach for the implementation of Stoner–Wohlfarth-like operators that could lead to a significant enhancement in the computational efficiency of the aforementioned model. Advantages of this approach stem from the non-rectangular nature of these operators that substantially minimizes the number of operators needed to achieve an accurate vector hysteresis model. Details of the proposed approach, its identification and experimental testing are presented in the paper. PMID:25685446

Intimate association of Thy-1 and the T-cell antigen receptor with the CD45 tyrosine phosphatase

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

Volarevic, S.; Burns, C.M.; Sussman, J.J.

1990-09-01

Immunoprecipitation of Thy-1 from Triton X-100 detergent lysates of surface-iodinated and chemically cross-linked T cells precipitated at least first major and discrete bands. Four of these bands were identified as Thy-1, CD45 (a trasmembrane tyrosine phosphatase), a major histocompatibility complex-encoded class I molecule, and {beta}{sub 2}-microglobulin. Similar analyses revealed that CD45 was coprecipitated from lysates of cross-linker-treated cells by antibodies to the T-cell antigen receptor (TCR). The same pattern of coprecipitated bands was observed when digitonin was used to lyse untreated cells. Immunoprecipitation of Thy-1 or the TCR from lysates of cross-linked T cells precipitated CD45 tyrosine phosphatase activity. Calculationsmore » based upon the amounts of coprecipitated enzymatic activity or TCR {zeta} chain indicate that a substantial fraction of Thy-1 and TCR complexes can be cross-linked to CD45. These data support a model in which the dependence of Thy-1 signaling on TCR coexpression is due to their common interaction with a tyrosine phosphatase and provide a possible structural basis for the influence of CD45 on TCR-mediated signaling.« less

On the discretization and control of an SEIR epidemic model with a periodic impulsive vaccination

NASA Astrophysics Data System (ADS)

Alonso-Quesada, S.; De la Sen, M.; Ibeas, A.

2017-01-01

This paper deals with the discretization and control of an SEIR epidemic model. Such a model describes the transmission of an infectious disease among a time-varying host population. The model assumes mortality from causes related to the disease. Our study proposes a discretization method including a free-design parameter to be adjusted for guaranteeing the positivity of the resulting discrete-time model. Such a method provides a discrete-time model close to the continuous-time one without the need for the sampling period to be as small as other commonly used discretization methods require. This fact makes possible the design of impulsive vaccination control strategies with less burden of measurements and related computations if one uses the proposed instead of other discretization methods. The proposed discretization method and the impulsive vaccination strategy designed on the resulting discretized model are the main novelties of the paper. The paper includes (i) the analysis of the positivity of the obtained discrete-time SEIR model, (ii) the study of stability of the disease-free equilibrium point of a normalized version of such a discrete-time model and (iii) the existence and the attractivity of a globally asymptotically stable disease-free periodic solution under a periodic impulsive vaccination. Concretely, the exposed and infectious subpopulations asymptotically converge to zero as time tends to infinity while the normalized subpopulations of susceptible and recovered by immunization individuals oscillate in the context of such a solution. Finally, a numerical example illustrates the theoretic results.

Utility of a Two-source Energy Balance Approach for Daily Mapping of Landsat-scale Fluxes Over Irrigated Agriculture in a Desert Environment

NASA Astrophysics Data System (ADS)

Houborg, R.; McCabe, M. F.; Rosas Aguilar, J.; Anderson, M. C.; Hain, C.

2014-12-01

The Middle East and North Africa (MENA) region is an area characterized by limited fresh water resources, an often inefficient use of these, and relatively poor in-situ monitoring as a result of sparse meteorological observations. Enhanced satellite-based monitoring systems are needed for aiding local water resource and agricultural management activities in these data poor arid environments. A multi-sensor and multi-scale land-surface flux monitoring capacity is being implemented over parts of MENA in order to provide meaningful decision support at relevant spatiotemporal scales. The integrated modeling system uses the Atmosphere-Land Exchange Inverse (ALEXI) model and associated flux disaggregation scheme (DisALEXI), and the Spatial and Temporal Adaptive Reflectance Fusion Model (STARFM) in conjunction with model reanalysis data and remotely sensed data from polar orbiting (Landsat and MODIS; MODerate resolution Imaging Spectroradiometer) and geostationary (MSG; Meteosat Second Generation) satellite platforms to facilitate daily estimates of land surface fluxes down to sub-field scale (i.e. 30 m). Within this modeling system, thermal infrared satellite data provide information about the sub-surface moisture status and plant stress, obviating the need for precipitation input and error-prone soil surface characterizations. In this study, the integrated ALEXI-DisALEXI-STARFM framework is applied over an irrigated agricultural region in Saudi Arabia, and the daily estimates of Landsat scale water, energy and carbon fluxes are evaluated against available flux tower observations and other independent in-situ and satellite-based records. The study addresses the challenges associated with time-continuous sub-field scale mapping of land-surface fluxes in a harsh desert environment, and looks into the optimization of model descriptions and parameterizations and meteorological forcing and vegetation inputs for application over these regions.

Application of remote sensing in South Dakota to provide accurate inventories of agricultural crops, enhance contrast in photographic products, monitor rangeland habitat loss, map Aspen, and prepare hydrogeologic surveys

NASA Technical Reports Server (NTRS)

Myers, V. I. (Principal Investigator); Dalsted, K. J.; Best, R. G.; Smith, J. R.; Eidenshink, J. C.; Schmer, F. A.; Andrawis, A. S.; Rahn, P. H.

1977-01-01

The author has identified the following significant results. Digital analysis of LANDSAT CCT's indicated that two discrete spectral background zones occurred among the five soil zone. K-CLASS classification of corn revealed that accuracy increased when two background zones were used, compared to the classification of corn stratified by five soil zones. Selectively varying film type developer and development time produces higher contract in reprocessed imagery. Interpretation of rangeland and cropped land data from 1968 aerial photography and 1976 LANDSAT imagery indicated losses in rangeland habitat. Thermal imagery was useful in locating potential sources of sub-surface water and geothermal energy, estimating evapotranspiration, and inventorying the land.

Tuning exchange bias in Fe/γ-Fe{sub 2}O{sub 3} core-shell nanoparticles: Impacts of interface and surface spins

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

Khurshid, Hafsa, E-mail: hkhurshi@usf.edu, E-mail: phanm@usf.edu, E-mail: sharihar@usf.edu; Phan, Manh-Huong, E-mail: hkhurshi@usf.edu, E-mail: phanm@usf.edu, E-mail: sharihar@usf.edu; Mukherjee, Pritish

A comparative study has been performed of the exchange bias (EB) effect in Fe/γ-Fe{sub 2}O{sub 3} core-shell nanoparticles with the same thickness of the γ-Fe{sub 2}O{sub 3} shell (∼2 nm) and the diameter of the Fe core varying from 4 nm to 11 nm. Transmission electron microscopy (TEM) and high-resolution TEM confirmed the high quality of the core-shell nanostructures. A systematic analysis of magnetization versus magnetic field measurements under zero-field-cooled and field-cooled regimes using the Meiklejohn-Bean model and deconvoluting superparamagnetic and paramagnetic contribution to the total magnetic moment Langevin function shows that there exists a critical particle size (∼10 nm), above which the spinsmore » at the interface between Fe and γ-Fe{sub 2}O{sub 3} contribute primarily to the EB, but below which the surface spin effect is dominant. Our finding yields deeper insight into the collective contributions of interface and surface spins to the EB in core-shell nanoparticle systems, knowledge of which is the key to manipulating EB in magnetic nanostructures for spintronics applications.« less

Using Observations of Deep Convective Systems to Constrain Atmospheric Column Absorption of Solar Radiation in the Optically Thick Limit

NASA Technical Reports Server (NTRS)

Dong, Xiquan; Wielicki, Bruce A.; Xi, Baike; Hu, Yongxiang; Mace, Gerald G.; Benson, Sally; Rose, Fred; Kato, Seiji; Charlock, Thomas; Minnis, Patrick

2008-01-01

Atmospheric column absorption of solar radiation A(sub col) is a fundamental part of the Earth's energy cycle but is an extremely difficult quantity to measure directly. To investigate A(sub col), we have collocated satellite-surface observations for the optically thick Deep Convective Systems (DCS) at the Department of Energy Atmosphere Radiation Measurement (ARM) Tropical Western Pacific (TWP) and Southern Great Plains (SGP) sites during the period of March 2000 December 2004. The surface data were averaged over a 2-h interval centered at the time of the satellite overpass, and the satellite data were averaged within a 1 deg X 1 deg area centered on the ARM sites. In the DCS, cloud particle size is important for top-of-atmosphere (TOA) albedo and A(sub col) although the surface absorption is independent of cloud particle size. In this study, we find that the A(sub col) in the tropics is approximately 0.011 more than that in the middle latitudes. This difference, however, disappears, i.e., the A(sub col) values at both regions converge to the same value (approximately 0.27 of the total incoming solar radiation) in the optically thick limit (tau greater than 80). Comparing the observations with the NASA Langley modified Fu_Liou 2-stream radiative transfer model for optically thick cases, the difference between observed and model-calculated surface absorption, on average, is less than 0.01, but the model-calculated TOA albedo and A(sub col) differ by 0.01 to 0.04, depending primarily on the cloud particle size observation used. The model versus observation discrepancies found are smaller than many previous studies and are just within the estimated error bounds. We did not find evidence for a large cloud absorption anomaly for the optically thick limit of extensive ice cloud layers. A more modest cloud absorption difference of 0.01 to 0.04 cannot yet be ruled out. The remaining uncertainty could be reduced with additional cases, and by reducing the current uncertainty in cloud particle size.

Numerical study of the effects of lamp configuration and reactor wall roughness in an open channel water disinfection UV reactor.

PubMed

Sultan, Tipu

2016-07-01

This article describes the assessment of a numerical procedure used to determine the UV lamp configuration and surface roughness effects on an open channel water disinfection UV reactor. The performance of the open channel water disinfection UV reactor was numerically analyzed on the basis of the performance indictor reduction equivalent dose (RED). The RED values were calculated as a function of the Reynolds number to monitor the performance. The flow through the open channel UV reactor was modelled using a k-ε model with scalable wall function, a discrete ordinate (DO) model for fluence rate calculation, a volume of fluid (VOF) model to locate the unknown free surface, a discrete phase model (DPM) to track the pathogen transport, and a modified law of the wall to incorporate the reactor wall roughness effects. The performance analysis was carried out using commercial CFD software (ANSYS Fluent 15.0). Four case studies were analyzed based on open channel UV reactor type (horizontal and vertical) and lamp configuration (parallel and staggered). The results show that lamp configuration can play an important role in the performance of an open channel water disinfection UV reactor. The effects of the reactor wall roughness were Reynolds number dependent. The proposed methodology is useful for performance optimization of an open channel water disinfection UV reactor. Copyright © 2016 Elsevier Ltd. All rights reserved.

Forward modeling magnetic fields of induced and remanent magnetization in the lithosphere using tesseroids

NASA Astrophysics Data System (ADS)

Baykiev, Eldar; Ebbing, Jörg; Brönner, Marco; Fabian, Karl

2016-11-01

A newly developed software package to calculate the magnetic field in a spherical coordinate system near the Earth's surface and on satellite height is shown to produce reliable modeling results for global and regional applications. The discretization cells of the model are uniformly magnetized spherical prisms, so called tesseroids. The presented algorithm extends an existing code for gravity calculations by applying Poisson's relation to identify the magnetic potential with the sum over pseudogravity fields of tesseroids. By testing different lithosphere discretization grids it is possible to determine the optimal size of tesseroids for field calculations on satellite altitude within realistic measurement error bounds. Also the influence of the Earth's ellipticity upon the modeling result is estimated and global examples are studied. The new software calculates induced and remanent magnetic fields for models at global and regional scale. For regional models far-field effects are evaluated and discussed. This provides bounds for the minimal size of a regional model that is necessary to predict meaningful satellite total field anomalies over the corresponding area.

The effect of row structure on soil moisture retrieval accuracy from passive microwave data.

PubMed

Xingming, Zheng; Kai, Zhao; Yangyang, Li; Jianhua, Ren; Yanling, Ding

2014-01-01

Row structure causes the anisotropy of microwave brightness temperature (TB) of soil surface, and it also can affect soil moisture retrieval accuracy when its influence is ignored in the inversion model. To study the effect of typical row structure on the retrieved soil moisture and evaluate if there is a need to introduce this effect into the inversion model, two ground-based experiments were carried out in 2011. Based on the observed C-band TB, field soil and vegetation parameters, row structure rough surface assumption (Q p model and discrete model), including the effect of row structure, and flat rough surface assumption (Q p model), ignoring the effect of row structure, are used to model microwave TB of soil surface. Then, soil moisture can be retrieved, respectively, by minimizing the difference of the measured and modeled TB. The results show that soil moisture retrieval accuracy based on the row structure rough surface assumption is approximately 0.02 cm(3)/cm(3) better than the flat rough surface assumption for vegetated soil, as well as 0.015 cm(3)/cm(3) better for bare and wet soil. This result indicates that the effect of row structure cannot be ignored for accurately retrieving soil moisture of farmland surface when C-band is used.

A priori discretization quality metrics for distributed hydrologic modeling applications

NASA Astrophysics Data System (ADS)

Liu, Hongli; Tolson, Bryan; Craig, James; Shafii, Mahyar; Basu, Nandita

2016-04-01

In distributed hydrologic modelling, a watershed is treated as a set of small homogeneous units that address the spatial heterogeneity of the watershed being simulated. The ability of models to reproduce observed spatial patterns firstly depends on the spatial discretization, which is the process of defining homogeneous units in the form of grid cells, subwatersheds, or hydrologic response units etc. It is common for hydrologic modelling studies to simply adopt a nominal or default discretization strategy without formally assessing alternative discretization levels. This approach lacks formal justifications and is thus problematic. More formalized discretization strategies are either a priori or a posteriori with respect to building and running a hydrologic simulation model. A posteriori approaches tend to be ad-hoc and compare model calibration and/or validation performance under various watershed discretizations. The construction and calibration of multiple versions of a distributed model can become a seriously limiting computational burden. Current a priori approaches are more formalized and compare overall heterogeneity statistics of dominant variables between candidate discretization schemes and input data or reference zones. While a priori approaches are efficient and do not require running a hydrologic model, they do not fully investigate the internal spatial pattern changes of variables of interest. Furthermore, the existing a priori approaches focus on landscape and soil data and do not assess impacts of discretization on stream channel definition even though its significance has been noted by numerous studies. The primary goals of this study are to (1) introduce new a priori discretization quality metrics considering the spatial pattern changes of model input data; (2) introduce a two-step discretization decision-making approach to compress extreme errors and meet user-specified discretization expectations through non-uniform discretization threshold modification. The metrics for the first time provides quantification of the routing relevant information loss due to discretization according to the relationship between in-channel routing length and flow velocity. Moreover, it identifies and counts the spatial pattern changes of dominant hydrological variables by overlaying candidate discretization schemes upon input data and accumulating variable changes in area-weighted way. The metrics are straightforward and applicable to any semi-distributed or fully distributed hydrological model with grid scales are greater than input data resolutions. The discretization metrics and decision-making approach are applied to the Grand River watershed located in southwestern Ontario, Canada where discretization decisions are required for a semi-distributed modelling application. Results show that discretization induced information loss monotonically increases as discretization gets rougher. With regards to routing information loss in subbasin discretization, multiple interesting points rather than just the watershed outlet should be considered. Moreover, subbasin and HRU discretization decisions should not be considered independently since subbasin input significantly influences the complexity of HRU discretization result. Finally, results show that the common and convenient approach of making uniform discretization decisions across the watershed domain performs worse compared to a metric informed non-uniform discretization approach as the later since is able to conserve more watershed heterogeneity under the same model complexity (number of computational units).

High Spectral Resolution MODIS Algorithms for Ocean Chlorophyll in Case II Waters

NASA Technical Reports Server (NTRS)

Carder, Kendall L.

2004-01-01

The Case 2 chlorophyll a algorithm is based on a semi-analytical, bio-optical model of remote sensing reflectance, R(sub rs)(lambda), where R(sub rs)(lambda) is defined as the water-leaving radiance, L(sub w)(lambda), divided by the downwelling irradiance just above the sea surface, E(sub d)(lambda,0(+)). The R(sub rs)(lambda) model (Section 3) has two free variables, the absorption coefficient due to phytoplankton at 675 nm, a(sub phi)(675), and the absorption coefficient due to colored dissolved organic matter (CDOM) or gelbstoff at 400 nm, a(sub g)(400). The R(rs) model has several parameters that are fixed or can be specified based on the region and season of the MODIS scene. These control the spectral shapes of the optical constituents of the model. R(sub rs)(lambda(sub i)) values from the MODIS data processing system are placed into the model, the model is inverted, and a(sub phi)(675), a(sub g)(400) (MOD24), and chlorophyll a (MOD21, Chlor_a_3) are computed. Algorithm development is initially focused on tropical, subtropical, and summer temperate environments, and the model is parameterized in Section 4 for three different bio-optical domains: (1) high ratios of photoprotective pigments to chlorophyll and low self-shading, which for brevity, we designate as 'unpackaged'; (2) low ratios and high self-shading, which we designate as 'packaged'; and (3) a transitional or global-average type. These domains can be identified from space by comparing sea-surface temperature to nitrogen-depletion temperatures for each domain (Section 5). Algorithm errors of more than 45% are reduced to errors of less than 30% with this approach, with the greatest effect occurring at the eastern and polar boundaries of the basins. Section 6 provides an expansion of bio-optical domains into high-latitude waters. The 'fully packaged' pigment domain is introduced in this section along with a revised strategy for implementing these variable packaging domains. Chlor_a_3 values derived semi-analytically and Chlor_a_2 values derived empirically using the O Reilly et al. OC3M algorithm from MODIS Terra radiances are compared to field chlorophyll-a concentrations in Sections 7 and 8.

Theory of third-order spectroscopic methods to extract detailed molecular orientational dynamics for planar surfaces and other uniaxial systems

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

Nishida, Jun; Fayer, Michael D., E-mail: fayer@stanford.edu

Functionalized organic monolayers deposited on planar two-dimensional surfaces are important systems for studying ultrafast orientational motions and structures of interfacial molecules. Several studies have successfully observed the orientational relaxation of functionalized monolayers by fluorescence depolarization experiments and recently by polarization-resolved heterodyne detected vibrational transient grating (HDTG) experiments. In this article we provide a model-independent theory to extract orientational correlation functions unique to interfacial molecules and other uniaxial systems based on polarization-resolved resonant third-order spectroscopies, such as pump-probe spectroscopy, HDTG spectroscopy, and fluorescence depolarization experiment. It will be shown (in the small beam-crossing angle limit) that five measurements are necessary tomore » completely characterize the monolayer's motions: I{sub ∥}(t) and I{sub ⊥}(t) with the incident beams normal to the surface, I{sub ∥}(t) and I{sub ⊥}(t) with a non-zero incident angle, and a time averaged linear dichroism measurement. Once these measurements are performed, two orientational correlation functions corresponding to in-plane and out-of-plane motions are obtained. The procedure is applicable not only for monolayers on flat surfaces, but any samples with uniaxial symmetry such as uniaxial liquid crystals and aligned planar bilayers. The theory is valid regardless of the nature of the actual molecular motions on interface. We then apply the general results to wobbling-in-a-cone model, in which molecular motions are restricted to a limited range of angles. Within the context of the model, the cone angle, the tilt of the cone relative to the surface normal, and the orientational diffusion constant can be determined. The results are extended to describe analysis of experiments where the beams are not crossing in the small angle limit.« less

Surface-from-gradients without discrete integrability enforcement: A Gaussian kernel approach.

PubMed

Ng, Heung-Sun; Wu, Tai-Pang; Tang, Chi-Keung

2010-11-01

Representative surface reconstruction algorithms taking a gradient field as input enforce the integrability constraint in a discrete manner. While enforcing integrability allows the subsequent integration to produce surface heights, existing algorithms have one or more of the following disadvantages: They can only handle dense per-pixel gradient fields, smooth out sharp features in a partially integrable field, or produce severe surface distortion in the results. In this paper, we present a method which does not enforce discrete integrability and reconstructs a 3D continuous surface from a gradient or a height field, or a combination of both, which can be dense or sparse. The key to our approach is the use of kernel basis functions, which transfer the continuous surface reconstruction problem into high-dimensional space, where a closed-form solution exists. By using the Gaussian kernel, we can derive a straightforward implementation which is able to produce results better than traditional techniques. In general, an important advantage of our kernel-based method is that the method does not suffer discretization and finite approximation, both of which lead to surface distortion, which is typical of Fourier or wavelet bases widely adopted by previous representative approaches. We perform comparisons with classical and recent methods on benchmark as well as challenging data sets to demonstrate that our method produces accurate surface reconstruction that preserves salient and sharp features. The source code and executable of the system are available for downloading.

Hydrologic conditions in urban Miami-Dade County, Florida, and the effect of groundwater pumpage and increased sea level on canal leakage and regional groundwater flow

USGS Publications Warehouse

Hughes, Joseph D.; White, Jeremy T.

2014-01-01

The model was designed specifically to evaluate the effect of groundwater pumpage on canal leakage at the surface-water-basin scale and thus may not be appropriate for (1) predictions that are dependent on data not included in the calibration process (for example, subdaily simulation of high-intensity events and travel times) and (or) (2) hydrologic conditions that are substantially different from those during the calibration and verification periods. The reliability of the model is limited by the conceptual model of the surface-water and groundwater system, the spatial distribution of physical properties, the scale and discretization of the system, and specified boundary conditions. Some of the model limitations are manifested in model errors. Despite these limitations, however, the model represents the complexities of the interconnected surface-water and groundwater systems that affect how the systems respond to groundwater pumpage, sea-level rise, and other hydrologic stresses. The model also quantifies the relative effects of groundwater pumpage and sea-level rise on the surface-water and groundwater systems.

Global Intercomparison of 12 Land Surface Heat Flux Estimates

NASA Technical Reports Server (NTRS)

Jimenez, C.; Prigent, C.; Mueller, B.; Seneviratne, S. I.; McCabe, M. F.; Wood, E. F.; Rossow, W. B.; Balsamo, G.; Betts, A. K.; Dirmeyer, P. A.;

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

Diaz Cruz, J. Lorenzo

We suggest that dark matter can be identified with a stable composite fermion X{sup 0}, that arises within the holographic AdS/CFT models, where the Higgs boson emerges as a composite pseudo-goldstone boson. The predicted properties of X{sup 0} satisfies the cosmological bounds, with m{sub X{sup 0}}{approx}4{pi}f{approx_equal}O(TeV). Thus, through a deeper understanding of the mechanism of electroweak symmetry breaking, a resolution of the Dark Matter enigma is found. Furthermore, by proposing a discrete structure of the Higgs vacuum, one can get a distinct approach to the cosmological constant problem.

A one-dimensional Fickian model to predict the Ga depth profiles in three-stage Cu(In,Ga)Se{sub 2}

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

Rodriguez-Alvarez, H., E-mail: humberto.rodriguez@helmholtz-berlin.de; Helmholtz-Zentrum Berlin, Hahn-Meitner Platz 1, 14109 Berlin; Mainz, R.

2014-05-28

We present a one-dimensional Fickian model that predicts the formation of a double Ga gradient during the fabrication of Cu(In,Ga)Se{sub 2} thin films by three-stage thermal co-evaporation. The model is based on chemical reaction equations, structural data, and effective Ga diffusivities. In the model, the Cu(In,Ga)Se{sub 2} surface is depleted from Ga during the deposition of Cu-Se in the second deposition stage, leading to an accumulation of Ga near the back contact. During the third deposition stage, where In-Ga-Se is deposited at the surface, the atomic fluxes within the growing layer are inverted. This results in the formation of amore » double Ga gradient within the Cu(In,Ga)Se{sub 2} layer and reproduces experimentally observed Ga distributions. The final shape of the Ga depth profile strongly depends on the temperatures, times and deposition rates used. The model is used to evaluate possible paths to flatten the marked Ga depth profile that is obtained when depositing at low substrate temperatures. We conclude that inserting Ga during the second deposition stage is an effective way to achieve this.« less

Theory and generation of conditional, scalable sub-Gaussian random fields

NASA Astrophysics Data System (ADS)

Panzeri, M.; Riva, M.; Guadagnini, A.; Neuman, S. P.

2016-03-01

Many earth and environmental (as well as a host of other) variables, Y, and their spatial (or temporal) increments, ΔY, exhibit non-Gaussian statistical scaling. Previously we were able to capture key aspects of such non-Gaussian scaling by treating Y and/or ΔY as sub-Gaussian random fields (or processes). This however left unaddressed the empirical finding that whereas sample frequency distributions of Y tend to display relatively mild non-Gaussian peaks and tails, those of ΔY often reveal peaks that grow sharper and tails that become heavier with decreasing separation distance or lag. Recently we proposed a generalized sub-Gaussian model (GSG) which resolves this apparent inconsistency between the statistical scaling behaviors of observed variables and their increments. We presented an algorithm to generate unconditional random realizations of statistically isotropic or anisotropic GSG functions and illustrated it in two dimensions. Most importantly, we demonstrated the feasibility of estimating all parameters of a GSG model underlying a single realization of Y by analyzing jointly spatial moments of Y data and corresponding increments, ΔY. Here, we extend our GSG model to account for noisy measurements of Y at a discrete set of points in space (or time), present an algorithm to generate conditional realizations of corresponding isotropic or anisotropic random fields, introduce two approximate versions of this algorithm to reduce CPU time, and explore them on one and two-dimensional synthetic test cases.

Information processing in dendrites I. Input pattern generalisation.

PubMed

Gurney, K N

2001-10-01

In this paper and its companion, we address the question as to whether there are any general principles underlying information processing in the dendritic trees of biological neurons. In order to address this question, we make two assumptions. First, the key architectural feature of dendrites responsible for many of their information processing abilities is the existence of independent sub-units performing local non-linear processing. Second, any general functional principles operate at a level of abstraction in which neurons are modelled by Boolean functions. To accommodate these assumptions, we therefore define a Boolean model neuron-the multi-cube unit (MCU)-which instantiates the notion of the discrete functional sub-unit. We then use this model unit to explore two aspects of neural functionality: generalisation (in this paper) and processing complexity (in its companion). Generalisation is dealt with from a geometric viewpoint and is quantified using a new metric-the set of order parameters. These parameters are computed for threshold logic units (TLUs), a class of random Boolean functions, and MCUs. Our interpretation of the order parameters is consistent with our knowledge of generalisation in TLUs and with the lack of generalisation in randomly chosen functions. Crucially, the order parameters for MCUs imply that these functions possess a range of generalisation behaviour. We argue that this supports the general thesis that dendrites facilitate input pattern generalisation despite any local non-linear processing within functionally isolated sub-units.

Secondary Fragmentation of Comet Shoemaker-Levy 9 and the Ramifications for the Progenitor's Breakup in July 1992

NASA Technical Reports Server (NTRS)

Sekanina, Z.; Chodas, P. W.; Yeomans, D. K.

1998-01-01

Comprehensive analysis of discrete events of secondary fragmentation leads to a conceptually new understanding of the process of disintegration of comet Shoemaker-Levy 9. We submit that the jovian tidal forces inflicted extensive cracks throughout the interior of the original nucleus but did not split it apart. The initial disruption was apparently accomplished by stresses exerted on the cracked object by its fast rotation during the early post-perijove period of time. We argue that this disruption was in fact a rapid sequence of episodes during July 1992 that gave birth to the 12 on-train, or primary, fragments: A, C, D, E, G, H, K, L, Q (later Q(sub 1)), R, S, and W. The discrete events of secondary fragmentation, which gave birth to the off-train fragments, are understood in this scenario as stochastic manifestations of the continuing process of progressive disintegration. Of the 13 off-train fragments considered, nine were secondary--B, F, G(sub 2), M, N, P (later P(sub 2) or P(sub 2a)), Q(sub 2), U, and V--and four tertiary (J, P(sub 1), P(sub 2b), and T). The separation parameters of 11 off-train fragments were determined. The vectorial distribution of separation velocities of these fragments shows a strong concentration toward a great circle, unquestionably an effect of the approximately conserved angular momentum of the progenitor comet since the time of its initial disruption. Also apparent is their clumping (except for P(sub 1)) to a segment along the great circle, implying that the fragments were consistently released from one side of their parents, thus explaining for the first time why the off-train fragments preferentially appeared on one side of the nuclear train. In order to obtain a consistent solution, our model requires that the points of separation be on the antisolar side of the parent fragments, where thermal stresses are likely to enhance the effect of rotation. The episodes of secondary fragmentation are found to have nine months after the close encounter with Jupiter in early July 1992, and the separation velocities ranged between 0.36 and 1.7 m/s. The spin-axis position is determined to have been nearly in the jovicentric orbit plane, which rules out the Asphaug-Benz-Solem strengthless aggregate model as a plausible breakup hypothesis. Since the separation velocities are rotational in nature, they cannot substantially exceed the critical limit for centrifugal breakup and offer an estimate for the original nuclear dimensions. The comet's nucleus is found to have been approximately 10 km in diameter and spinning rapidly. With the exception of P(sub 1) and apparently also P(sub 2) and F, no nongravitational deceleration was detected in the motions of the off-train fragments. Serious doubts are cast on continuing appreciable activity of any of these fragments. Indeed, when it was necessary to introduce a deceleration into the equations of motion, the effect appears to have been due to the action of solar radiation pressure on the centroid of centimeter-sized particulates in the disintegrating condensations.

Normalized Implicit Radial Models for Scattered Point Cloud Data without Normal Vectors

DTIC Science & Technology

2009-03-23

points by shrinking a discrete membrane, Computer Graphics Forum, Vol. 24-4, 2005, pp. 791-808 [8] Floater , M. S., Reimers, M.: Meshless...Parameterization and Surface Reconstruction, Computer Aided Geometric Design 18, 2001, pp 77-92 [9] Floater , M. S.: Parameterization of Triangulations and...Unorganized Points, In: Tutorials on Multiresolution in Geometric Modelling, A. Iske, E. Quak and M. S. Floater (eds.), Springer , 2002, pp. 287-316 [10

PDR MODEL MAPPING OF OBSCURED H{sub 2} EMISSION AND THE LINE-OF-SIGHT STRUCTURE OF M17-SW

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

Sheffer, Y.; Wolfire, M. G.

2013-09-01

We observed H{sub 2} line emission with Spitzer-IRS toward M17-SW and modeled the data with our photon-dominated region (PDR) code. Derived gas density values of up to few times 10{sup 7} cm{sup -3} indicate that H{sub 2} emission originates in high-density clumps. We discover that the PDR code can be utilized to map the amount of intervening extinction obscuring the H{sub 2} emission layers, and thus we obtain the radial profile of A{sub V} relative to the central ionizing cluster NGC 6618. The extinction has a positive radial gradient, varying between 15-47 mag over the projected distance of 0.9-2.5 pcmore » from the primary ionizer, CEN 1. These high extinction values are in good agreement with previous studies of A{sub V} toward stellar targets in M17-SW. The ratio of data to PDR model values is used to infer the global line-of-sight structure of the PDR surface, which is revealed to resemble a concave surface relative to NGC 6618. Such a configuration confirms that this PDR can be described as a bowl-shaped boundary of the central H II region in M17. The derived structure and physical conditions are important for interpreting the fine-structure and rotational line emission from the PDR.« less

Charging Properties of Cassiterite (alpha-SnO2) Surfaces in NaCl and RbCl Ionic Media.

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

Rosenqvist, Jorgen K; Machesky, Michael L.; Vlcek, Lukas

2009-01-01

The acid-base properties of cassiterite ({alpha}-SnO{sub 2}) surfaces at 10-50 C were studied using potentiometric titrations of powder suspensions in aqueous NaCl and RbCl media. The proton sorption isotherms exhibited common intersection points in the pH range of 4.0-4.5 under all conditions, and the magnitude of charging was similar but not identical in NaCl and RbCl. The hydrogen bonding configuration at the oxide-water interface, obtained from classical molecular dynamics (MD) simulations, was analyzed in detail, and the results were explicitly incorporated in calculations of protonation constants for the reactive surface sites using the revised MUSIC model. The calculations indicated thatmore » the terminal SnOH{sub 2} group is more acidic than the bridging Sn{sub 2}OH group, with protonation constants (log K{sub H}) of 3.60 and 5.13 at 25 C, respectively. This is contrary to the situation on the isostructural {alpha}-TiO{sub 2} (rutile), apparently because of the difference in electronegativity between Ti and Sn. MD simulations and speciation calculations indicated considerable differences in the speciation of Na{sup +} and Rb{sup +}, despite the similarities in overall charging. Adsorbed sodium ions are almost exclusively found in bidentate surface complexes, whereas adsorbed rubidium ions form comparable numbers of bidentate and tetradentate complexes. Also, the distribution of adsorbed Na{sup +} between the different complexes shows a considerable dependence on the surface charge density (pH), whereas the distribution of adsorbed Rb{sup +} is almost independent of pH. A surface complexation model (SCM) capable of accurately describing both the measured surface charge and the MD-predicted speciation of adsorbed Na{sup +}/Rb{sup +} was formulated. According to the SCM, the deprotonated terminal group (SnOH{sup -0.40}) and the protonated bridging group (Sn{sub 2}OH{sup +0.36}) dominate the surface speciation over the entire pH range of this study (2.7-10). The complexation of medium cations increases significantly with increasing negative surface charge, and at pH 10, roughly 40% of the terminal sites are predicted to form cation complexes, whereas anion complexation is minor throughout the studied pH range.« less

A novel solution for LED wall lamp design and simulation

NASA Astrophysics Data System (ADS)

Ge, Rui; Hong, Weibin; Li, Kuangqi; Liang, Pengxiang; Zhao, Fuli

2014-11-01

The model of the wall washer lamp and the practical illumination application have been established with a new design of the lens to meet the uniform illumination demand for wall washer lamp based on the Lambertian light sources. Our secondary optical design of freeform surface lens to LED wall washer lamp based on the conservation law of energy and Snell's law can improve the lighting effects as a uniform illumination. With the relationship between the surface of the lens and the surface of the target, a great number of discrete points of the freeform profile curve were obtained through the iterative method. After importing the data into our modeling program, the optical entity was obtained. Finally, to verify the feasibility of the algorithm, the model was simulated by specialized software, with both the LED Lambertian point source and LED panel source model.

Forest canopy height from Multiangle Imaging SpectroRadiometer (MISR) assessed with high resolution discrete return lidar

Treesearch

Mark Chopping; Anne Nolin; Gretchen G. Moisen; John V. Martonchik; Michael Bull

2009-01-01

In this study retrievals of forest canopy height were obtained through adjustment of a simple geometricoptical (GO) model against red band surface bidirectional reflectance estimates from NASA's Multiangle Imaging SpectroRadiometer (MISR), mapped to a 250 m grid. The soil-understory background contribution was partly isolated prior to inversion using regression...

Aerodynamic pressure and heating-rate distributions in tile gaps around chine regions with pressure gradients at a Mach number of 6.6

NASA Technical Reports Server (NTRS)

Hunt, L. Roane; Notestine, Kristopher K.

1990-01-01

Surface and gap pressures and heating-rate distributions were obtained for simulated Thermal Protection System (TPS) tile arrays on the curved surface test apparatus of the Langley 8-Foot High Temperature Tunnel at Mach 6.6. The results indicated that the chine gap pressures varied inversely with gap width because larger gap widths allowed greater venting from the gap to the lower model side pressures. Lower gap pressures caused greater flow ingress from the surface and increased gap heating. Generally, gap heating was greater in the longitudinal gaps than in the circumferential gaps. Gap heating decreased with increasing gap depth. Circumferential gap heating at the mid-depth was generally less than about 10 percent of the external surface value. Gap heating was most severe at local T-gap junctions and tile-to-tile forward-facing steps that caused the greatest heating from flow impingement. The use of flow stoppers at discrete locations reduced heating from flow impingement. The use of flow stoppers at discrete locations reduced heating in most gaps but increased heating in others. Limited use of flow stoppers or gap filler in longitudinal gaps could reduce gap heating in open circumferential gaps in regions of high surface pressure gradients.

Multidimensional Modeling of Atmospheric Effects and Surface Heterogeneities on Remote Sensing

NASA Technical Reports Server (NTRS)

Gerstl, S. A. W.; Simmer, C.; Zardecki, A. (Principal Investigator)

1985-01-01

The overall goal of this project is to establish a modeling capability that allows a quantitative determination of atmospheric effects on remote sensing including the effects of surface heterogeneities. This includes an improved understanding of aerosol and haze effects in connection with structural, angular, and spatial surface heterogeneities. One important objective of the research is the possible identification of intrinsic surface or canopy characteristics that might be invariant to atmospheric perturbations so that they could be used for scene identification. Conversely, an equally important objective is to find a correction algorithm for atmospheric effects in satellite-sensed surface reflectances. The technical approach is centered around a systematic model and code development effort based on existing, highly advanced computer codes that were originally developed for nuclear radiation shielding applications. Computational techniques for the numerical solution of the radiative transfer equation are adapted on the basis of the discrete-ordinates finite-element method which proved highly successful for one and two-dimensional radiative transfer problems with fully resolved angular representation of the radiation field.

Kinetic Monte Carlo simulations of ion-induced ripple formation: Dependence on flux, temperature, and defect concentration in the linear regime

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

Chason, E.; Chan, W. L.; Bharathi, M. S.

Low-energy ion bombardment produces spontaneous periodic structures (sputter ripples) on many surfaces. Continuum theories describe the pattern formation in terms of ion-surface interactions and surface relaxation kinetics, but many features of these models (such as defect concentration) are unknown or difficult to determine. In this work, we present results of kinetic Monte Carlo simulations that model surface evolution using discrete atomistic versions of the physical processes included in the continuum theories. From simulations over a range of parameters, we obtain the dependence of the ripple growth rate, wavelength, and velocity on the ion flux and temperature. The results are discussedmore » in terms of the thermally dependent concentration and diffusivity of ion-induced surface defects. We find that in the early stages of ripple formation the simulation results are surprisingly well described by the predictions of the continuum theory, in spite of simplifying approximations used in the continuum model.« less

Evaluating the performance of land surface model ORCHIDEE-CAN v1.0 on water and energy flux estimation with a single- and multi-layer energy budget scheme

NASA Astrophysics Data System (ADS)

Chen, Yiying; Ryder, James; Bastrikov, Vladislav; McGrath, Matthew J.; Naudts, Kim; Otto, Juliane; Ottlé, Catherine; Peylin, Philippe; Polcher, Jan; Valade, Aude; Black, Andrew; Elbers, Jan A.; Moors, Eddy; Foken, Thomas; van Gorsel, Eva; Haverd, Vanessa; Heinesch, Bernard; Tiedemann, Frank; Knohl, Alexander; Launiainen, Samuli; Loustau, Denis; Ogée, Jérôme; Vessala, Timo; Luyssaert, Sebastiaan

2016-09-01

Canopy structure is one of the most important vegetation characteristics for land-atmosphere interactions, as it determines the energy and scalar exchanges between the land surface and the overlying air mass. In this study we evaluated the performance of a newly developed multi-layer energy budget in the ORCHIDEE-CAN v1.0 land surface model (Organising Carbon and Hydrology In Dynamic Ecosystems - CANopy), which simulates canopy structure and can be coupled to an atmospheric model using an implicit coupling procedure. We aim to provide a set of acceptable parameter values for a range of forest types. Top-canopy and sub-canopy flux observations from eight sites were collected in order to conduct this evaluation. The sites crossed climate zones from temperate to boreal and the vegetation types included deciduous, evergreen broad-leaved and evergreen needle-leaved forest with a maximum leaf area index (LAI; all-sided) ranging from 3.5 to 7.0. The parametrization approach proposed in this study was based on three selected physical processes - namely the diffusion, advection, and turbulent mixing within the canopy. Short-term sub-canopy observations and long-term surface fluxes were used to calibrate the parameters in the sub-canopy radiation, turbulence, and resistance modules with an automatic tuning process. The multi-layer model was found to capture the dynamics of sub-canopy turbulence, temperature, and energy fluxes. The performance of the new multi-layer model was further compared against the existing single-layer model. Although the multi-layer model simulation results showed few or no improvements to both the nighttime energy balance and energy partitioning during winter compared with a single-layer model simulation, the increased model complexity does provide a more detailed description of the canopy micrometeorology of various forest types. The multi-layer model links to potential future environmental and ecological studies such as the assessment of in-canopy species vulnerability to climate change, the climate effects of disturbance intensities and frequencies, and the consequences of biogenic volatile organic compound (BVOC) emissions from the terrestrial ecosystem.

Defect reduction in Si-doped Al{sub 0.45}Ga{sub 0.55}N films by SiN{sub x} interlayer method

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

Li, Yang; Chen, Shengchang; Kong, Man

2014-01-28

The dislocation density in AlGaN epitaxial layers with Al content as high as 45% grown on sapphire substrates has been effectively reduced by introducing an in-situ deposited SiN{sub x} nanomask layer in this study. By closely monitoring the evolution of numerous material properties, such as surface morphology, dislocation density, photoluminescence, strain states, and electron mobility of the Si-Al{sub 0.45}Ga{sub 0.55}N layers as the functions of SiN{sub x} interlayer growth time, the surface coverage fraction of SiN{sub x} is found to be a crucial factor determining the strain states and dislocation density. The dependence of the strain states and the dislocationmore » density on the surface coverage fraction of SiN{sub x} nanomask supports the very different growth models of Al-rich AlGaN on SiN{sub x} interlayer due to the reduced nucleation selectivity compared with the GaN counterpart. Compared with GaN, which can only nucleate at open pores of SiN{sub x} nanomask, Al-rich AlGaN can simultaneously nucleate at both open pores and SiN{sub x} covered areas. Dislocations will annihilate at the openings due to the 3D growth initiated on the opening area, while 2D growth mode is preserved on SiN{sub x} and the threading dislocations are also preserved. During the following growth process, lateral overgrowth will proceed from the Al{sub 0.45}Ga{sub 0.55}N islands on the openings towards the regions covered by SiN{sub x}, relaxing the compressive strain and bending the dislocations at the same time.« less

COMPUTATIONAL MODELING OF CATHODIC LIMITATIONS ON LOCALIZED CORROSION OF WETTED SS 316L, AT ROOM TEMPERATURE

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

F. Cui; F.J. Presuel-Moreno; R.G. Kelly

2005-10-13

The ability of a SS316L surface wetted with a thin electrolyte layer to serve as an effective cathode for an active localized corrosion site was studied computationally. The dependence of the total net cathodic current, I{sub net}, supplied at the repassivation potential E{sub rp} (of the anodic crevice) on relevant physical parameters including water layer thickness (WL), chloride concentration ([Cl{sup -}]) and length of cathode (Lc) were investigated using a three-level, full factorial design. The effects of kinetic parameters including the exchange current density (i{sub o,c}) and Tafel slope ({beta}{sub c}) of oxygen reduction, the anodic passive current density (i{submore » p}) (on the cathodic surface), and E{sub rp} were studied as well using three-level full factorial designs of [Cl{sup -}] and Lc with a fixed WL of 25 {micro}m. The study found that all the three parameters WL, [Cl{sup -}] and Lc as well as the interactions of Lc x WL and Lc x [Cl{sup -}] had significant impact on I{sub net}. A five-factor regression equation was obtained which fits the computation results reasonably well, but demonstrated that interactions are more complicated than can be explained with a simple linear model. Significant effects on I{sub net} were found upon varying either i{sub o,c}, {beta}{sub c}, or E{sub rp}, whereas i{sub p} in the studied range was found to have little impact. It was observed that I{sub net} asymptotically approached maximum values (I{sub max}) when Lc increased to critical minimum values. I{sub max} can be used to determine the stability of coupled localized corrosion and the critical Lc provides important information for experimental design and corrosion protection.« less

Electrophoretic Study of the SnO2/Aqueous Solution Interface up to 260 degrees C.

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

Rodriguez-Santiago, V; Fedkin, Mark V.; Wesolowski, David J

2009-01-01

An electrophoresis cell developed in our laboratory was utilized to determine the zeta potential at the SnO{sub 2} (cassiterite)/aqueous solution (10{sup -3} mol kg{sup -1} NaCl) interface over the temperature range from 25 to 260 C. Experimental techniques and methods for the calculation of zeta potential at elevated temperature are described. From the obtained zeta potential data as a function of pH, the isoelectric points (IEPs) of SnO{sub 2} were obtained for the first time. From these IEP values, the standard thermodynamic functions were calculated for the protonation-deprotonation equilibrium at the SnO{sub 2} surface, using the 1-pK surface complexation model.more » It was found that the IEP values for SnO{sub 2} decrease with increasing temperature, and this behavior is compared to the predicted values by the multisite complexation (MUSIC) model and other semitheoretical treatments, and were found to be in excellent agreement.« less

Modelling CO2 flow in naturally fractured geological media using MINC and multiple subregion upscaling procedure

NASA Astrophysics Data System (ADS)

Tatomir, Alexandru Bogdan A. C.; Flemisch, Bernd; Class, Holger; Helmig, Rainer; Sauter, Martin

2017-04-01

Geological storage of CO2 represents one viable solution to reduce greenhouse gas emission in the atmosphere. Potential leakage of CO2 storage can occur through networks of interconnected fractures. The geometrical complexity of these networks is often very high involving fractures occurring at various scales and having hierarchical structures. Such multiphase flow systems are usually hard to solve with a discrete fracture modelling (DFM) approach. Therefore, continuum fracture models assuming average properties are usually preferred. The multiple interacting continua (MINC) model is an extension of the classic double porosity model (Warren and Root, 1963) which accounts for the non-linear behaviour of the matrix-fracture interactions. For CO2 storage applications the transient representation of the inter-porosity two phase flow plays an important role. This study tests the accuracy and computational efficiency of the MINC method complemented with the multiple sub-region (MSR) upscaling procedure versus the DFM. The two phase flow MINC simulator is implemented in the free-open source numerical toolbox DuMux (www.dumux.org). The MSR (Gong et al., 2009) determines the inter-porosity terms by solving simplified local single-phase flow problems. The DFM is considered as the reference solution. The numerical examples consider a quasi-1D reservoir with a quadratic fracture system , a five-spot radial symmetric reservoir, and a completely random generated fracture system. Keywords: MINC, upscaling, two-phase flow, fractured porous media, discrete fracture model, continuum fracture model

Reconstruction of sub-surface archaeological remains from magnetic data using neural computing.

NASA Astrophysics Data System (ADS)

Bescoby, D. J.; Cawley, G. C.; Chroston, P. N.

2003-04-01

The remains of a former Roman colonial settlement, once part of the classical city of Butrint in southern Albania have been the subject of a high resolution magnetic survey using a caesium-vapour magnetometer. The survey revealed the surviving remains of an extensive planned settlement and a number of outlying buildings, today buried beneath over 0.5 m of alluvial deposits. The aim of the current research is to derive a sub-surface model from the magnetic survey measurements, allowing an enhanced archaeological interpretation of the data. Neural computing techniques are used to perform the non-linear mapping between magnetic data and corresponding sub-surface model parameters. The adoption of neural computing paradigms potentially holds several advantages over other modelling techniques, allowing fast solutions for complex data, while having a high tolerance to noise. A multi-layer perceptron network with a feed-forward architecture is trained to estimate the shape and burial depth of wall foundations using a series of representative models as training data. Parameters used to forward model the training data sets are derived from a number of trial trench excavations targeted over features identified by the magnetic survey. The training of the network was optimized by first applying it to synthetic test data of known source parameters. Pre-processing of the network input data, including the use of a rotationally invariant transform, enhanced network performance and the efficiency of the training data. The approach provides good results when applied to real magnetic data, accurately predicting the depths and layout of wall foundations within the former settlement, verified by subsequent excavation. The resulting sub-surface model is derived from the averaged outputs of a ‘committee’ of five networks, trained with individualized training sets. Fuzzy logic inference has also been used to combine individual network outputs through correlation with data from a second geophysical technique, allowing the integration of data from a separate series of measurements.

The influence of shale depositional fabric on the kinetics of hydrocarbon generation through control of mineral surface contact area on clay catalysis

NASA Astrophysics Data System (ADS)

Rahman, Habibur M.; Kennedy, Martin; Löhr, Stefan; Dewhurst, David N.; Sherwood, Neil; Yang, Shengyu; Horsfield, Brian

2018-01-01

Accurately assessing the temperature and hence the depth and timing of hydrocarbon generation is a critical step in the characterization of a petroleum system. Clay catalysis is a potentially significant modifier of hydrocarbon generation temperature, but experimental studies of clay catalysis show inconsistent or contradictory results. This study tests the hypothesis that source rock fabric itself is an influence on clay mineral catalysis as it controls the extent to which organic matter and clay minerals are physically associated. Two endmember clay-organic fabrics distinguish the source rocks studied: (1) a particulate fabric where organic matter is present as discrete, >5 μm particles and (2) a nanocomposite fabric in which amorphous organic matter is associated with clay mineral surfaces at sub-micron scale. High-resolution electron imaging and bulk geochemical characterisation confirm that samples of the Miocene Monterey Formation (California) are representative of the nanocomposite source rock endmember, whereas samples from the Permian Stuart Range Formation (South Australia) represent the particulate source rock endmember. Kinetic experiments are performed on paired whole rock and kerogen isolate samples from these two formations using open system, non-isothermal pyrolysis at three different heating rates (0.7, 2 and 5 K/min) to determine the effects of the different shale fabrics on hydrocarbon generation kinetics. Extrapolation to a modelled geological heating rate shows a 20 °C reduction in the onset temperature of hydrocarbon generation in Monterey Formation whole rock samples relative to paired kerogen isolates. This result is consistent with the Monterey Formations's nanocomposite fabric where clay catalysis can proceed because reactive clay minerals are intimately associated with organic matter. By contrast, there is no significant difference in the modelled hydrocarbon generation temperature of paired whole rock and kerogen isolates from the Stuart Range Formation. This is consistent with its particulate fabric, where relatively large, discrete organic particles have limited contact with the mineral matrix and the clay minerals are mainly diagenetic and physically segregated within pores. While heating rate may have a control on mineral matrix effects, this result shows that the extent to which organic matter and clay minerals are physically associated could have a significant effect on the timing of hydrocarbon generation, and is a function of the depositional environment and detrital vs diagenetic origin of clay minerals in source rocks.

Orienting in Virtual Environments: How Are Surface Features and Environmental Geometry Weighted in an Orientation Task?

ERIC Educational Resources Information Center

Kelly, Debbie M.; Bischof, Walter F.

2008-01-01

We investigated how human adults orient in enclosed virtual environments, when discrete landmark information is not available and participants have to rely on geometric and featural information on the environmental surfaces. In contrast to earlier studies, where, for women, the featural information from discrete landmarks overshadowed the encoding…

Discrete contribution to {psi}{sup '}{yields}J/{psi}+{gamma}{gamma}

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

He Zhiguo; Soto, Joan; Lu Xiaorui

2011-03-01

The decay mode {psi}(2S){yields}J/{psi}+{gamma}{gamma} is proposed in order to experimentally identify the effects of the coupling of charmonium states to the continuum D{bar D} states. To have a better understanding of such a two-photon decay process, in this work we restrict ourselves to investigate the contribution of the discrete part, in which the photons are mainly produced via the intermediate states {chi}{sub cJ}(nP). Besides calculating the resonance contributions of {chi}{sub cJ}(1P)(J=0,1,2), we also take into account the contributions of the higher excited states {chi}{sub cJ}(2P) and the interference effect among the 1P and 2P states. We find that the contributionmore » of the 2P states and the interference terms to the total decay width is very tiny. However, for specific regions of the Dalitz plot, off the resonance peaks, we find that these contributions are sizable and should also be accounted for. We also provide the photon spectrum and study the polarization of J/{psi}.« less

Combined MEG-EEG source localisation in patients with sub-acute sclerosing pan-encephalitis.

PubMed

Velmurugan, J; Sinha, Sanjib; Nagappa, Madhu; Mariyappa, N; Bindu, P S; Ravi, G S; Hazra, Nandita; Thennarasu, K; Ravi, V; Taly, A B; Satishchandra, P

2016-08-01

To study the genesis and propagation patterns of periodic complexes (PCs) associated with myoclonic jerks in sub-acute sclerosing pan-encephalitis (SSPE) using magnetoencephalography (MEG) and electroencephalography (EEG). Simultaneous recording of MEG (306 channels) and EEG (64 channels) in five patients of SSPE (M:F = 3:2; age 10.8 ± 3.2 years; symptom-duration 6.2 ± 10 months) was carried out using Elekta Neuromag(®) TRIUX™ system. Qualitative analysis of 80-160 PCs per patient was performed. Ten isomorphic classical PCs with significant field topography per patient were analysed at the 'onset' and at 'earliest significant peak' of the burst using discrete and distributed source imaging methods. MEG background was asymmetrical in 2 and slow in 3 patients. Complexes were periodic (3) or quasi-periodic (2), occurring every 4-16 s and varied in morphology among patients. Mean source localization at onset of bursts using discrete and distributed source imaging in magnetic source imaging (MSI) was in thalami and or insula (50 and 50 %, respectively) and in electric source imaging (ESI) was also in thalami and or insula (38 and 46 %, respectively). Mean source localization at the earliest rising phase of peak in MSI was in peri-central gyrus (49 and 42 %) and in ESI it was in frontal cortex (52 and 56 %). Further analysis revealed that PCs were generated in thalami and or insula and thereafter propagated to anterolateral surface of the cortices (viz. sensori-motor cortex and frontal cortex) to same side as that of the onset. This novel MEG-EEG based case series of PCs provides newer insights for understanding the plausible generators of myoclonus in SSPE and patterns of their propagation.

Passivation of phosphorus diffused silicon surfaces with Al{sub 2}O{sub 3}: Influence of surface doping concentration and thermal activation treatments

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

Richter, Armin, E-mail: armin.richter@ise.fraunhofer.de; Benick, Jan; Kimmerle, Achim

2014-12-28

Thin layers of Al{sub 2}O{sub 3} are well known for the excellent passivation of p-type c-Si surfaces including highly doped p{sup +} emitters, due to a high density of fixed negative charges. Recent results indicate that Al{sub 2}O{sub 3} can also provide a good passivation of certain phosphorus-diffused n{sup +} c-Si surfaces. In this work, we studied the recombination at Al{sub 2}O{sub 3} passivated n{sup +} surfaces theoretically with device simulations and experimentally for Al{sub 2}O{sub 3} deposited with atomic layer deposition. The simulation results indicate that there is a certain surface doping concentration, where the recombination is maximal duemore » to depletion or weak inversion of the charge carriers at the c-Si/Al{sub 2}O{sub 3} interface. This pronounced maximum was also observed experimentally for n{sup +} surfaces passivated either with Al{sub 2}O{sub 3} single layers or stacks of Al{sub 2}O{sub 3} capped by SiN{sub x}, when activated with a low temperature anneal (425 °C). In contrast, for Al{sub 2}O{sub 3}/SiN{sub x} stacks activated with a short high-temperature firing process (800 °C) a significant lower surface recombination was observed for most n{sup +} diffusion profiles without such a pronounced maximum. Based on experimentally determined interface properties and simulation results, we attribute this superior passivation quality after firing to a better chemical surface passivation, quantified by a lower interface defect density, in combination with a lower density of negative fixed charges. These experimental results reveal that Al{sub 2}O{sub 3}/SiN{sub x} stacks can provide not only excellent passivation on p{sup +} surfaces but also on n{sup +} surfaces for a wide range of surface doping concentrations when activated with short high-temperature treatments.« less

Adsorption of Ions on Zirconium Oxide Surfaces from Aqueous Solutions at High Temperatures.

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

Palmer, Donald; Machesky, Michael L.; Benezeth, Pascale

2009-07-01

Surface titrations were carried out on suspensions of monoclinic ZrO{sub 2} from 25 to 290 C slightly above saturation vapor pressure at ionic strengths of 0.03, 0.1 and 1.0 mol {center_dot} kg{sup -1}(NaCl). A typical increase in surface charge was observed with increasing temperature. There was no correlation between the radius of the cations, Li{sup +}, Na{sup +}, K{sup +} and (CH{sub 3}){sub 4}N{sup +}, and the magnitude of their association with the surface. The combined results were treated with a 1-pK{sub a} MUSIC model, which yielded association constants for the cations (and chloride ion at low pH) at eachmore » temperature. The pH of zero-point-charge, pH{sub zpc}, decreased with increasing temperature as found for other metal oxides, reaching an apparent minimum value of 4.1 by 250 C. Batch experiments were performed to monitor the concentration of LiOH in solutions containing suspended ZrO{sub 2} particles from 200 to 360 C. At 350 and 360 C, Li{sup +} and OH{sup -} ions were almost totally adsorbed when the pressure was lowered to near saturation vapor pressure. This reversible trend has implications not only to pressure-water reactor, PWR, operations, but is also of general scientific and other applied interest. Additional experiments probed the feasibility that boric acid/borate ions adsorb reversibly onto ZrO{sub 2} surfaces at near-neutral pH conditions as indicated in earlier publications.« less

Modelling of ‘sub-atomic’ contrast resulting from back-bonding on Si(111)-7×7

PubMed Central

Jarvis, Samuel P; Rashid, Mohammad A

2016-01-01

Summary It has recently been shown that ‘sub-atomic’ contrast can be observed during NC-AFM imaging of the Si(111)-7×7 substrate with a passivated tip, resulting in triangular shaped atoms [Sweetman et al. Nano Lett. 2014, 14, 2265]. The symmetry of the features, and the well-established nature of the dangling bond structure of the silicon adatom means that in this instance the contrast cannot arise from the orbital structure of the atoms, and it was suggested by simple symmetry arguments that the contrast could only arise from the backbonding symmetry of the surface adatoms. However, no modelling of the system has been performed in order to understand the precise origin of the contrast. In this paper we provide a detailed explanation for ‘sub-atomic’ contrast observed on Si(111)-7×7 using a simple model based on Lennard-Jones potentials, coupled with a flexible tip, as proposed by Hapala et al. [Phys. Rev. B 2014, 90, 085421] in the context of interpreting sub-molecular contrast. Our results show a striking similarity to experimental results, and demonstrate how ‘sub-atomic’ contrast can arise from a flexible tip exploring an asymmetric potential created due to the positioning of the surrounding surface atoms. PMID:27547610

Surface cleaning for enhanced adhesion to packaging surfaces: Effect of oxygen and ammonia plasma

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

Gaddam, Sneha; Dong, Bin; Driver, Marcus

2015-03-15

The effects of direct plasma chemistries on carbon removal from silicon nitride (SiN{sub x}) and oxynitride (SiO{sub x}N{sub y}) surfaces have been studied by in-situ x-ray photoelectron spectroscopy (XPS) and ex-situ contact angle measurements. The data indicate that O{sub 2} and NH{sub 3} capacitively coupled plasmas are effective at removing adventitious carbon from silicon nitride (SiN{sub x}) and Si oxynitride (SiO{sub x}N{sub y}) surfaces. O{sub 2} plasma treatment results in the formation of a silica overlayer. In contrast, the exposure to NH{sub 3} plasma results in negligible additional oxidation of the SiN{sub x} or SiO{sub x}N{sub y} surface. Ex-situ contactmore » angle measurements show that SiN{sub x} and SiO{sub x}N{sub y} surfaces exposed to oxygen plasma are initially more hydrophilic than surfaces exposed to NH{sub 3} plasma, indicating that the O{sub 2} plasma-induced SiO{sub 2} overlayer is highly reactive toward ambient. At longer ambient exposures (≳10 h), however, surfaces treated by either O{sub 2} or NH{sub 3} plasma exhibit similar steady state contact angles, correlated with rapid uptake of adventitious carbon, as determined by XPS. Surface passivation by exposure to molecular hydrogen prior to ambient exposure significantly retards the increase in contact angle upon exposure to ambient. The results suggest a practical route to enhancing the time available for effective bonding to surfaces in microelectronics packaging applications.« less

Solid-liquid work of adhesion of coarse-grained models of n-hexane on graphene layers derived from the conditional reversible work method

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

Ardham, Vikram Reddy; Leroy, Frédéric, E-mail: vandervegt@csi.tu-darmstadt.de, E-mail: f.leroy@theo.chemie.tu-darmstadt.de; Deichmann, Gregor

We address the question of how reducing the number of degrees of freedom modifies the interfacial thermodynamic properties of heterogeneous solid-liquid systems. We consider the example of n-hexane interacting with multi-layer graphene which we model both with fully atomistic and coarse-grained (CG) models. The CG models are obtained by means of the conditional reversible work (CRW) method. The interfacial thermodynamics of these models is characterized by the solid-liquid work of adhesion W{sub SL} calculated by means of the dry-surface methodology through molecular dynamics simulations. We find that the CRW potentials lead to values of W{sub SL} that are larger thanmore » the atomistic ones. Clear understanding of the relationship between the structure of n-hexane in the vicinity of the surface and W{sub SL} is elucidated through a detailed study of the energy and entropy components of W{sub SL}. We highlight the crucial role played by the solid-liquid energy fluctuations. Our approach suggests that CG potentials should be designed in such a way that they preserve the range of solid-liquid interaction energies, but also their fluctuations in order to preserve the reference atomistic value of W{sub SL}. Our study thus opens perspectives into deriving CG interaction potentials that preserve the thermodynamics of solid-liquid contacts and will find application in studies that intend to address materials driven by interfaces.« less

Convection equation modeling: A non-iterative direct matrix solution algorithm for use with SINDA

NASA Technical Reports Server (NTRS)

Schrage, Dean S.

1993-01-01

The determination of the boundary conditions for a component-level analysis, applying discrete finite element and finite difference modeling techniques often requires an analysis of complex coupled phenomenon that cannot be described algebraically. For example, an analysis of the temperature field of a coldplate surface with an integral fluid loop requires a solution to the parabolic heat equation and also requires the boundary conditions that describe the local fluid temperature. However, the local fluid temperature is described by a convection equation that can only be solved with the knowledge of the locally-coupled coldplate temperatures. Generally speaking, it is not computationally efficient, and sometimes, not even possible to perform a direct, coupled phenomenon analysis of the component-level and boundary condition models within a single analysis code. An alternative is to perform a disjoint analysis, but transmit the necessary information between models during the simulation to provide an indirect coupling. For this approach to be effective, the component-level model retains full detail while the boundary condition model is simplified to provide a fast, first-order prediction of the phenomenon in question. Specifically for the present study, the coldplate structure is analyzed with a discrete, numerical model (SINDA) while the fluid loop convection equation is analyzed with a discrete, analytical model (direct matrix solution). This indirect coupling allows a satisfactory prediction of the boundary condition, while not subjugating the overall computational efficiency of the component-level analysis. In the present study a discussion of the complete analysis of the derivation and direct matrix solution algorithm of the convection equation is presented. Discretization is analyzed and discussed to extend of solution accuracy, stability and computation speed. Case studies considering a pulsed and harmonic inlet disturbance to the fluid loop are analyzed to assist in the discussion of numerical dissipation and accuracy. In addition, the issues of code melding or integration with standard class solvers such as SINDA are discussed to advise the user of the potential problems to be encountered.

Static current-sheet models of quiescent prominences

NASA Technical Reports Server (NTRS)

Wu, F.; Low, B. C.

1986-01-01

A particular class of theoretical models idealize the prominence to be a discrete flat electric-current sheet suspended vertically in a potential magnetic field. The weight of the prominence is supported by the Lorentz force in the current sheet. These models can be extended to have curved electric-current sheets and to vary three-dimensionally. The equation for force balance is 1 over 4 pi (del times B) times Bdel p- p9 z=zero. Using Cartesian coordinates we take, for simplicity, a uniform gravity with constant acceleration g in the direction -z. If we are interested not in the detailed internal structure of the prominence, but in the global magnetic configuration around the prominence, we may take prominence plasma to be cold. Consideration is given to how such equilibrium states can be constructed. To simplify the mathematical problem, suppose there is no electric current in the atmosphere except for the discrete currents in the cold prominence sheet. Let us take the plane z =0 to be the base of the atmosphere and restrict our attention to the domain z greater than 0. The task we have is to solve for a magnetic field which is everywhere potential except on some free surface S, subject to suit able to boundary conditions. The surface S is determined by requiring that it possesses a discrete electric current density such that the Lorentz force on it is everywhere vertically upward to balance the weight of the material m(S). Since the magnetic field is potential in the external atmosphere, the latter is decoupled from the magnetic field and its plane parallel hydrostatic pressure and density can be prescribed.

Static current-sheet models of quiescent prominences

NASA Astrophysics Data System (ADS)

Wu, F.; Low, B. C.

1986-12-01

A particular class of theoretical models idealize the prominence to be a discrete flat electric-current sheet suspended vertically in a potential magnetic field. The weight of the prominence is supported by the Lorentz force in the current sheet. These models can be extended to have curved electric-current sheets and to vary three-dimensionally. The equation for force balance is 1 over 4 pi (del times B) times Bdel p- p9 z=zero. Using Cartesian coordinates we take, for simplicity, a uniform gravity with constant acceleration g in the direction -z. If we are interested not in the detailed internal structure of the prominence, but in the global magnetic configuration around the prominence, we may take prominence plasma to be cold. Consideration is given to how such equilibrium states can be constructed. To simplify the mathematical problem, suppose there is no electric current in the atmosphere except for the discrete currents in the cold prominence sheet. Let us take the plane z =0 to be the base of the atmosphere and restrict our attention to the domain z greater than 0. The task we have is to solve for a magnetic field which is everywhere potential except on some free surface S, subject to suit able to boundary conditions. The surface S is determined by requiring that it possesses a discrete electric current density such that the Lorentz force on it is everywhere vertically upward to balance the weight of the material m(S). Since the magnetic field is potential in the external atmosphere, the latter is decoupled from the magnetic field and its plane parallel hydrostatic pressure and density can be prescribed.

Measuring and modeling changes in land-atmosphere exchanges and hydrologic response in forests undergoing insect-driven mortality

NASA Astrophysics Data System (ADS)

Gochis, D. J.; Brooks, P. D.; Harpold, A. A.; Ewers, B. E.; Pendall, E.; Barnard, H. R.; Reed, D.; Harley, P. C.; Hu, J.; Biederman, J.

2010-12-01

Given the magnitude and spatial extent of recent forest mortality in the western U.S. there is a pressing need to improve representation of such influences on the exchange of energy, water, biogeochemical and momentum fluxes in land-atmosphere parameterizations coupled to weather and climate models. In this talk we present observational data and model results from a new study aimed at improving understanding the impacts of mountain pine beetle-induced forest mortality in the central Rocky Mountains. Baseline observations and model runs from undisturbed lodgepole pine forest conditions are developed as references against which new observations and model runs from infested stands are compared. We will specifically look at the structure and evolution of sub-canopy energy exchange variables such as shortwave and longwave radiation and sub-canopy turbulence as well as sub-canopy precipitation, sapflow fluxes, canopy-scale fluxes and soil moisture and temperature. In this manner we seek to lay the ground work for evaluating the recent generation of land surface model changes aimed at representing insect-related forest dynamics in the CLM-C/N and Noah land surface models.

Quantitative Subsurface Atomic Structure Fingerprint for 2D Materials and Heterostructures by First-Principles-Calibrated Contact-Resonance Atomic Force Microscopy.

PubMed

Tu, Qing; Lange, Björn; Parlak, Zehra; Lopes, Joao Marcelo J; Blum, Volker; Zauscher, Stefan

2016-07-26

Interfaces and subsurface layers are critical for the performance of devices made of 2D materials and heterostructures. Facile, nondestructive, and quantitative ways to characterize the structure of atomically thin, layered materials are thus essential to ensure control of the resultant properties. Here, we show that contact-resonance atomic force microscopy-which is exquisitely sensitive to stiffness changes that arise from even a single atomic layer of a van der Waals-adhered material-is a powerful experimental tool to address this challenge. A combined density functional theory and continuum modeling approach is introduced that yields sub-surface-sensitive, nanomechanical fingerprints associated with specific, well-defined structure models of individual surface domains. Where such models are known, this information can be correlated with experimentally obtained contact-resonance frequency maps to reveal the (sub)surface structure of different domains on the sample.

Chlorophyll-a variability in the Seychelles-Chagos Thermocline Ridge: Analysis of a coupled biophysical model

NASA Astrophysics Data System (ADS)

Dilmahamod, A. F.; Hermes, J. C.; Reason, C. J. C.

2016-02-01

The biological variability of the upwelling region of the Seychelles-Chagos Thermocline Ridge (SCTR), both at surface and subsurface levels, is investigated using monthly outputs of a coupled biophysical model from 1958 to 2011. Owing to its large spatial distribution and sensitivity to climate variability, the SCTR is studied as three distinct regions; namely, sub-regions 1 (western; 5°S-12°S, 55°E-65°E), 2 (central; 5°S-12°S, 65°E-75°E) and 3 (eastern; 5°S-12°S, 75°E-90°E). Surface and subsurface chlorophyll-a (Chl-a) exhibit completely different response mechanisms in sub-region 3 compared to sub-regions 1 and 2 during El Niño Southern Oscillation (ENSO) and Indian Ocean Dipole (IOD) events. During the intense 1997/1998 ENSO-IOD event, the high Chl-a tongue observed in the eastern Indian Ocean induces an increase in surface concentration in sub-region 3, whose subsurface variability is also substantially less (more) impacted by downwelling (upwelling) Rossby waves generated by El Niño (La Niña) forcing. After filtering out the annual signal, wavelet analysis of surface Chl-a revealed a significant 6 month periodicity in sub-regions 1 and 2 whereas a 5-year signal dominated in sub-region 3. The latter suggests that sub-region 3 is more prone to different ENSO/IOD influences, due to its proximity to the eastern Indian Ocean. In the unfiltered data, the subsurface Chl-a in sub-region 3 exhibits a strong signal near 1 year, with sub-regions 1 and 2 having a pronounced 6-year and 5-year signals respectively. These analyses show that the SCTR cannot be investigated as a single homogeneous region due to its large spatial distribution and different response mechanisms to climate events. Furthermore, changes in SST, thermocline depth, winds and Chl-a before and after the 1976-1977 climate shift differed across the SCTR, further highlighting the heterogeneity of this sensitive region in the Indian Ocean.