Molecular Dynamics Modeling of Ionic Liquids in Electrospray Propulsion

DTIC Science & Technology

2010-06-01

surface equipotential and a correspondes to the model sphere radius. It can also see that the applied voltage is necessary to obtain the surface ...between the tip and extractor, the equipotential line whose angle relative to the x axis is approximately 49 degrees is selected as the Taylor cone surface ...model. Then the electric field on such equipotential line is found by equation 7.5 and used for the distribution along the cone surface . This

The importance of selection in the evolution of blindness in cavefish.

PubMed

Cartwright, Reed A; Schwartz, Rachel S; Merry, Alexandra L; Howell, Megan M

2017-02-07

Blindness has evolved repeatedly in cave-dwelling organisms, and many hypotheses have been proposed to explain this observation, including both accumulation of neutral loss-of-function mutations and adaptation to darkness. Investigating the loss of sight in cave dwellers presents an opportunity to understand the operation of fundamental evolutionary processes, including drift, selection, mutation, and migration. Here we model the evolution of blindness in caves. This model captures the interaction of three forces: (1) selection favoring alleles causing blindness, (2) immigration of sightedness alleles from a surface population, and (3) mutations creating blindness alleles. We investigated the dynamics of this model and determined selection-strength thresholds that result in blindness evolving in caves despite immigration of sightedness alleles from the surface. We estimate that the selection coefficient for blindness would need to be at least 0.005 (and maybe as high as 0.5) for blindness to evolve in the model cave-organism, Astyanax mexicanus. Our results indicate that strong selection is required for the evolution of blindness in cave-dwelling organisms, which is consistent with recent work suggesting a high metabolic cost of eye development.

Selective binding of proteins on functional nanoparticles via reverse charge parity model: an in vitro study

NASA Astrophysics Data System (ADS)

Ghosh, Goutam; Panicker, Lata; Barick, K. C.

2014-03-01

The conformation of proteins absorbed on nanoparticles surface plays a crucial role in applications of nanoparticles in biomedicine. The surface protein conformation depends on several factors, namely, nature of protein-nanoparticles interaction, chemical composition of the surface of nanoparticles etc. A model of the electrostatic binding of proteins on charged surface nanoparticles has been proposed earlier (Ghosh et al 2013 Colloids Surf. B 103 267). Also, the irreversible denaturation of the protein conformation due to binding of counterions was reported. In this paper, we have used this model, involving reverse charge parity, to show selective binding of proteins on charged surface iron oxide nanoparticles (IONPs). IONPs were surface functionalized with cetylpyridinium chloride (CPC), cetyl(trimethyl)ammonium bromide (CTAB) and cetylpyridinium iodide (CPI). The effect of counterions (Cl-, Br- and I-) on protein conformation has also been investigated. Several proteins such as α-lactalbumin (ALA), β-lactoglobulin (BLG), ovalbumin (OVA), bovin serum albumin (BSA) and HEWL were chosen for this investigation.

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

Esfahani, M. Nasr; Yilmaz, M.; Sonne, M. R.

The trend towards nanomechanical resonator sensors with increasing sensitivity raises the need to address challenges encountered in the modeling of their mechanical behavior. Selecting the best approach in mechanical response modeling amongst the various potential computational solid mechanics methods is subject to controversy. A guideline for the selection of the appropriate approach for a specific set of geometry and mechanical properties is needed. In this study, geometrical limitations in frequency response modeling of flexural nanomechanical resonators are investigated. Deviation of Euler and Timoshenko beam theories from numerical techniques including finite element modeling and Surface Cauchy-Born technique are studied. The resultsmore » provide a limit beyond which surface energy contribution dominates the mechanical behavior. Using the Surface Cauchy-Born technique as the reference, a maximum error on the order of 50 % is reported for high-aspect ratio resonators.« less

Modeling Surface Roughness to Estimate Surface Moisture Using Radarsat-2 Quad Polarimetric SAR Data

NASA Astrophysics Data System (ADS)

Nurtyawan, R.; Saepuloh, A.; Budiharto, A.; Wikantika, K.

2016-08-01

Microwave backscattering from the earth's surface depends on several parameters such as surface roughness and dielectric constant of surface materials. The two parameters related to water content and porosity are crucial for estimating soil moisture. The soil moisture is an important parameter for ecological study and also a factor to maintain energy balance of land surface and atmosphere. Direct roughness measurements to a large area require extra time and cost. Heterogeneity roughness scale for some applications such as hydrology, climate, and ecology is a problem which could lead to inaccuracies of modeling. In this study, we modeled surface roughness using Radasat-2 quad Polarimetric Synthetic Aperture Radar (PolSAR) data. The statistical approaches to field roughness measurements were used to generate an appropriate roughness model. This modeling uses a physical SAR approach to predicts radar backscattering coefficient in the parameter of radar configuration (wavelength, polarization, and incidence angle) and soil parameters (surface roughness and dielectric constant). Surface roughness value is calculated using a modified Campbell and Shepard model in 1996. The modification was applied by incorporating the backscattering coefficient (σ°) of quad polarization HH, HV and VV. To obtain empirical surface roughness model from SAR backscattering intensity, we used forty-five sample points from field roughness measurements. We selected paddy field in Indramayu district, West Java, Indonesia as the study area. This area was selected due to intensive decreasing of rice productivity in the Northern Coast region of West Java. Third degree polynomial is the most suitable data fitting with coefficient of determination R2 and RMSE are about 0.82 and 1.18 cm, respectively. Therefore, this model is used as basis to generate the map of surface roughness.

A trade-off between model resolution and variance with selected Rayleigh-wave data

USGS Publications Warehouse

Xia, J.; Miller, R.D.; Xu, Y.

2008-01-01

Inversion of multimode surface-wave data is of increasing interest in the near-surface geophysics community. For a given near-surface geophysical problem, it is essential to understand how well the data, calculated according to a layered-earth model, might match the observed data. A data-resolution matrix is a function of the data kernel (determined by a geophysical model and a priori information applied to the problem), not the data. A data-resolution matrix of high-frequency (??? 2 Hz) Rayleigh-wave phase velocities, therefore, offers a quantitative tool for designing field surveys and predicting the match between calculated and observed data. First, we employed a data-resolution matrix to select data that would be well predicted and to explain advantages of incorporating higher modes in inversion. The resulting discussion using the data-resolution matrix provides insight into the process of inverting Rayleigh-wave phase velocities with higher mode data to estimate S-wave velocity structure. Discussion also suggested that each near-surface geophysical target can only be resolved using Rayleigh-wave phase velocities within specific frequency ranges, and higher mode data are normally more accurately predicted than fundamental mode data because of restrictions on the data kernel for the inversion system. Second, we obtained an optimal damping vector in a vicinity of an inverted model by the singular value decomposition of a trade-off function of model resolution and variance. In the end of the paper, we used a real-world example to demonstrate that selected data with the data-resolution matrix can provide better inversion results and to explain with the data-resolution matrix why incorporating higher mode data in inversion can provide better results. We also calculated model-resolution matrices of these examples to show the potential of increasing model resolution with selected surface-wave data. With the optimal damping vector, we can improve and assess an inverted model obtained by a damped least-square method.

Crucial nesting habitat for gunnison sage-grouse: A spatially explicit hierarchical approach

USGS Publications Warehouse

Aldridge, Cameron L.; Saher, D.J.; Childers, T.M.; Stahlnecker, K.E.; Bowen, Z.H.

2012-01-01

Gunnison sage-grouse (Centrocercus minimus) is a species of special concern and is currently considered a candidate species under Endangered Species Act. Careful management is therefore required to ensure that suitable habitat is maintained, particularly because much of the species' current distribution is faced with exurban development pressures. We assessed hierarchical nest site selection patterns of Gunnison sage-grouse inhabiting the western portion of the Gunnison Basin, Colorado, USA, at multiple spatial scales, using logistic regression-based resource selection functions. Models were selected using Akaike Information Criterion corrected for small sample sizes (AIC c) and predictive surfaces were generated using model averaged relative probabilities. Landscape-scale factors that had the most influence on nest site selection included the proportion of sagebrush cover >5%, mean productivity, and density of 2 wheel-drive roads. The landscape-scale predictive surface captured 97% of known Gunnison sage-grouse nests within the top 5 of 10 prediction bins, implicating 57% of the basin as crucial nesting habitat. Crucial habitat identified by the landscape model was used to define the extent for patch-scale modeling efforts. Patch-scale variables that had the greatest influence on nest site selection were the proportion of big sagebrush cover >10%, distance to residential development, distance to high volume paved roads, and mean productivity. This model accurately predicted independent nest locations. The unique hierarchical structure of our models more accurately captures the nested nature of habitat selection, and allowed for increased discrimination within larger landscapes of suitable habitat. We extrapolated the landscape-scale model to the entire Gunnison Basin because of conservation concerns for this species. We believe this predictive surface is a valuable tool which can be incorporated into land use and conservation planning as well the assessment of future land-use scenarios. ?? 2011 The Wildlife Society.

Effects of selective fusion on the thermal history of the earth's mantle

USGS Publications Warehouse

Lee, W.H.K.

1968-01-01

A comparative study on the thermal history of the earth's mantle was made by numerical solutions of the heat equation including and excluding selective fusion of silicates. Selective fusion was approximated by melting in a multicomponent system and redistribution of radioactive elements. Effects of selective fusion on the thermal models are (1) lowering (by several hundred degrees centigrade) and stabilizing the internal temperature distribution, and (2) increasing the surface heat-flow. It was found that models with selective fusion gave results more compatible with observations of both present temperature and surface heat-flow. The results therefore suggest continuous differentiation of the earth's mantle throughout geologic time, and support the hypothesis that the earth's atmosphere, oceans, and crust have been accumulated throughout the earth's history by degassing and selective fusion of the mantle. ?? 1968.

Standard fire behavior fuel models: a comprehensive set for use with Rothermel's surface fire spread model

Treesearch

Joe H. Scott; Robert E. Burgan

2005-01-01

This report describes a new set of standard fire behavior fuel models for use with Rothermel's surface fire spread model and the relationship of the new set to the original set of 13 fire behavior fuel models. To assist with transition to using the new fuel models, a fuel model selection guide, fuel model crosswalk, and set of fuel model photos are provided.

Competing Thermodynamic and Dynamic Factors Select Molecular Assemblies on a Gold Surface

NASA Astrophysics Data System (ADS)

Haxton, Thomas K.; Zhou, Hui; Tamblyn, Isaac; Eom, Daejin; Hu, Zonghai; Neaton, Jeffrey B.; Heinz, Tony F.; Whitelam, Stephen

2013-12-01

Controlling the self-assembly of surface-adsorbed molecules into nanostructures requires understanding physical mechanisms that act across multiple length and time scales. By combining scanning tunneling microscopy with hierarchical ab initio and statistical mechanical modeling of 1,4-substituted benzenediamine (BDA) molecules adsorbed on a gold (111) surface, we demonstrate that apparently simple nanostructures are selected by a subtle competition of thermodynamics and dynamics. Of the collection of possible BDA nanostructures mechanically stabilized by hydrogen bonding, the interplay of intermolecular forces, surface modulation, and assembly dynamics select at low temperature a particular subset: low free energy oriented linear chains of monomers and high free energy branched chains.

Compromise Approach-Based Genetic Algorithm for Constrained Multiobjective Portfolio Selection Model

NASA Astrophysics Data System (ADS)

Li, Jun

In this paper, fuzzy set theory is incorporated into a multiobjective portfolio selection model for investors’ taking into three criteria: return, risk and liquidity. The cardinality constraint, the buy-in threshold constraint and the round-lots constraints are considered in the proposed model. To overcome the difficulty of evaluation a large set of efficient solutions and selection of the best one on non-dominated surface, a compromise approach-based genetic algorithm is presented to obtain a compromised solution for the proposed constrained multiobjective portfolio selection model.

Performance of fire behavior fuel models developed for the Rothermel Surface Fire Spread Model

Treesearch

Robert Ziel; W. Matt Jolly

2009-01-01

In 2005, 40 new fire behavior fuel models were published for use with the Rothermel Surface Fire Spread Model. These new models are intended to augment the original 13 developed in 1972 and 1976. As a compiled set of quantitative fuel descriptions that serve as input to the Rothermel model, the selected fire behavior fuel model has always been critical to the resulting...

Thermal sensing of cryogenic wind tunnel model surfaces Evaluation of silicon diodes

NASA Technical Reports Server (NTRS)

Daryabeigi, K.; Ash, R. L.; Dillon-Townes, L. A.

1986-01-01

Different sensors and installation techniques for surface temperature measurement of cryogenic wind tunnel models were investigated. Silicon diodes were selected for further consideration because of their good inherent accuracy. Their average absolute temperature deviation in comparison tests with standard platinum resistance thermometers was found to be 0.2 K in the range from 125 to 273 K. Subsurface temperature measurement was selected as the installation technique in order to minimize aerodynamic interference. Temperature distortion caused by an embedded silicon diode was studied numerically.

Thermal sensing of cryogenic wind tunnel model surfaces - Evaluation of silicon diodes

NASA Technical Reports Server (NTRS)

Daryabeigi, Kamran; Ash, Robert L.; Dillon-Townes, Lawrence A.

1986-01-01

Different sensors and installation techniques for surface temperature measurement of cryogenic wind tunnel models were investigated. Silicon diodes were selected for further consideration because of their good inherent accuracy. Their average absolute temperature deviation in comparison tests with standard platinum resistance thermometers was found to be 0.2 K in the range from 125 to 273 K. Subsurface temperature measurement was selected as the installation technique in order to minimize aerodynamic interference. Temperature distortion caused by an embedded silicon diode was studied numerically.

An adaptive response surface method for crashworthiness optimization

NASA Astrophysics Data System (ADS)

Shi, Lei; Yang, Ren-Jye; Zhu, Ping

2013-11-01

Response surface-based design optimization has been commonly used for optimizing large-scale design problems in the automotive industry. However, most response surface models are built by a limited number of design points without considering data uncertainty. In addition, the selection of a response surface in the literature is often arbitrary. This article uses a Bayesian metric to systematically select the best available response surface among several candidates in a library while considering data uncertainty. An adaptive, efficient response surface strategy, which minimizes the number of computationally intensive simulations, was developed for design optimization of large-scale complex problems. This methodology was demonstrated by a crashworthiness optimization example.

Is hyporheic flow an indicator for salmonid spawning site selection?

NASA Astrophysics Data System (ADS)

Benjankar, R. M.; Tonina, D.; Marzadri, A.; McKean, J. A.; Isaak, D.

2015-12-01

Several studies have investigated the role of hydraulic variables in the selection of spawning sites by salmonids. Some recent studies suggest that the intensity of the ambient hyporheic flow, that present without a salmon egg pocket, is a cue for spawning site selection, but others have argued against it. We tested this hypothesis by using a unique dataset of field surveyed spawning site locations and an unprecedented meter-scale resolution bathymetry of a 13.5 km long reach of Bear Valley Creek (Idaho, USA), an important Chinook salmon spawning stream. We used a two-dimensional surface water model to quantify stream hydraulics and a three-dimensional hyporheic model to quantify the hyporheic flows. Our results show that the intensity of ambient hyporheic flows is not a statistically significant variable for spawning site selection. Conversely, the intensity of the water surface curvature and the habitat quality, quantified as a function of stream hydraulics and morphology, are the most important variables for salmonid spawning site selection. KEY WORDS: Salmonid spawning habitat, pool-riffle system, habitat quality, surface water curvature, hyporheic flow

Getting the tail to wag the dog: Incorporating groundwater transport into catchment solute transport models using rank StorAge Selection (rSAS) functions

NASA Astrophysics Data System (ADS)

Harman, C. J.

2015-12-01

Surface water hydrologic models are increasingly used to analyze the transport of solutes through the landscape, such as nitrate. However, many of these models cannot adequately capture the effect of groundwater flow paths, which can have long travel times and accumulate legacy contaminants, releasing them to streams over decades. If these long lag times are not accounted for, the short-term efficacy of management activities to reduce nitrogen loads may be overestimated. Models that adopt a simple 'well-mixed' assumption, leading to an exponential transit time distribution at steady state, cannot adequately capture the broadly skewed nature of groundwater transit times in typical watersheds. Here I will demonstrate how StorAge Selection functions can be used to capture the long lag times of groundwater in a typical subwatershed-based hydrologic model framework typical of models like SWAT, HSPF, HBV, PRMS and others. These functions can be selected and calibrated to reproduce historical data where available, but can also be fitted to the results of a steady-state groundwater transport model like MODFLOW/MODPATH, allowing those results to directly inform the parameterization of an unsteady surface water model. The long tails of the transit time distribution predicted by the groundwater model can then be completely captured by the surface water model. Examples of this application in the Chesapeake Bay watersheds and elsewhere will be given.

The Reactivity and Structure of Size Selected VxO y Clusters on a TiO2 (110)-(1 X 1) Surface of Variable Oxidation State

NASA Astrophysics Data System (ADS)

Neilson, Hunter L.

The Reactivity and Structure of Size Selected VxOy Clusters on a TiO2 (110) Surface of Variable Oxidation State by Hunter L Neilson The selective oxidative dehydrogenation of methanol by vanadium oxide/TiO2 model systems has received a great deal of interest in the surface science community. Previous studies using temperature programmed desorption and reaction (TPD/R) to probe the oxidation of methanol to formaldehyde by vanadia/TiO2 model catalysts have shown that the activity of these systems vary considerably based on the way in which the model system is prepared with formaldehyde desorption temperatures observed anywhere from room temperature to 660 K. The principle reason for this variation is that the preparation of sub-monolayer films of vanadia on TiO2 produces clusters with a multitude of VxOy structures and a mixture of vanadium oxidation states. As a result the stoichiometry of the active vanadium oxide catalyst as well as the oxidation state of vanadium in the active catalyst remain unknown. To better understand this system, our group has probed the reactivity and structure of size-selected Vx, VOy and VxOy clusters on a reduced TiO2 (110) support in ultra-high vacuum (UHV) via TPD/R and scanning tunneling microscopy (STM). Ex situ preparation of these clusters in the gas phase prior to deposition has allowed us to systematically vary the stoichiometry of the vanadia clusters; a layer of control not available via the usual routes to vanadium oxide. The most active catalysts are shown to have (VO3)n stoichiometry in agreement with the theoretical models of the Metiu group. We have shown that both the activity and selectivity of V2O6 and V3O9 cluster catalysts depend sensitively on the oxidation state of the TiO2 (110) support. For example, V2O6 on a reduced surface is selective for the oxidation of methanol to formaldehyde while the selectivity shifts to favor methyl formate as the surface becomes increasingly oxidized. STM studies show that the structure of size-selected V2O6 clusters, upon adsorption to the surface, varies considerably with the oxidation state of the support, in good agreement with our reactivity studies. V 3O9 was shown to catalyze the oxidation of methanol to both formaldehyde and methyl formate on a reduced surface while STM suggests that, unlike V2O6, these clusters are prone to decomposition upon adsorption to the surface. Furthermore, TPD/R of size selected V 2O5 and V2O7 on TiO2 suggests that altering the stoichiometry of the (VO3)n clusters by a single oxygen atom significantly inhibits the activity of these catalysts.

Using microkinetic analysis to search for novel anhydrous formaldehyde production catalysts

NASA Astrophysics Data System (ADS)

Li, Han-Jung; Lausche, Adam C.; Peterson, Andrew A.; Hansen, Heine A.; Studt, Felix; Bligaard, Thomas

2015-11-01

Direct dehydrogenation of methanol to produce anhydrous formaldehyde is investigated using periodic density functional theory (DFT) and combining the microkinetic model to estimate rates and selectivities on stepped (211) surfaces under a desired reaction condition. Binding energies of reaction intermediates and transition state energies for each elementary reaction can be accurately scaled with CHO and OH binding energies as the only descriptors. Based on these two descriptors, a steady-state microkinetic model is constructed with a piecewise adsorbate-adsorbate interaction model that explicitly includes the effects of adsorbate coverage on the rates and selectivities as well as the volcano plots are obtained. Our results show that most of the stepped (211) pure-metallic surfaces such as Au, Pt, Pd, Rh, Ru, Ni, Fe, and Co are located in a region of low activity and selectivity toward CH2O production due to higher rate for CH2O dehydrogenation than CH2O desorption. The selectivities toward CH2O production on Zn, Cu, and Ag surfaces are located on the boundary between the high and low selectivity regions. To find suitable catalysts for anhydrous CH2O production, a large number of A3B-type transition metal alloys are screened based on their predicted rates and selectivities, as well as their estimated stabilities and prices. We finally propose several promising candidates for the dehydrogenation of CH3OH.

Scattering Properties of Large Irregular Cosmic Dust Particles at Visible Wavelengths

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

Escobar-Cerezo, J.; Palmer, C.; Muñoz, O.

The effect of internal inhomogeneities and surface roughness on the scattering behavior of large cosmic dust particles is studied by comparing model simulations with laboratory measurements. The present work shows the results of an attempt to model a dust sample measured in the laboratory with simulations performed by a ray-optics model code. We consider this dust sample as a good analogue for interplanetary and interstellar dust as it shares its refractive index with known materials in these media. Several sensitivity tests have been performed for both structural cases (internal inclusions and surface roughness). Three different samples have been selected tomore » mimic inclusion/coating inhomogeneities: two measured scattering matrices of hematite and white clay, and a simulated matrix for water ice. These three matrices are selected to cover a wide range of imaginary refractive indices. The selection of these materials also seeks to study astrophysical environments of interest such as Mars, where hematite and clays have been detected, and comets. Based on the results of the sensitivity tests shown in this work, we perform calculations for a size distribution of a silicate-type host particle model with inclusions and surface roughness to reproduce the experimental measurements of a dust sample. The model fits the measurements quite well, proving that surface roughness and internal structure play a role in the scattering pattern of irregular cosmic dust particles.« less

3D patient-specific models for left atrium characterization to support ablation in atrial fibrillation patients.

PubMed

Valinoti, Maddalena; Fabbri, Claudio; Turco, Dario; Mantovan, Roberto; Pasini, Antonio; Corsi, Cristiana

2018-01-01

Radiofrequency ablation (RFA) is an important and promising therapy for atrial fibrillation (AF) patients. Optimization of patient selection and the availability of an accurate anatomical guide could improve RFA success rate. In this study we propose a unified, fully automated approach to build a 3D patient-specific left atrium (LA) model including pulmonary veins (PVs) in order to provide an accurate anatomical guide during RFA and without PVs in order to characterize LA volumetry and support patient selection for AF ablation. Magnetic resonance data from twenty-six patients referred for AF RFA were processed applying an edge-based level set approach guided by a phase-based edge detector to obtain the 3D LA model with PVs. An automated technique based on the shape diameter function was designed and applied to remove PVs and compute LA volume. 3D LA models were qualitatively compared with 3D LA surfaces acquired during the ablation procedure. An expert radiologist manually traced the LA on MR images twice. LA surfaces from the automatic approach and manual tracing were compared by mean surface-to-surface distance. In addition, LA volumes were compared with volumes from manual segmentation by linear and Bland-Altman analyses. Qualitative comparison of 3D LA models showed several inaccuracies, in particular PVs reconstruction was not accurate and left atrial appendage was missing in the model obtained during RFA procedure. LA surfaces were very similar (mean surface-to-surface distance: 2.3±0.7mm). LA volumes were in excellent agreement (y=1.03x-1.4, r=0.99, bias=-1.37ml (-1.43%) SD=2.16ml (2.3%), mean percentage difference=1.3%±2.1%). Results showed the proposed 3D patient-specific LA model with PVs is able to better describe LA anatomy compared to models derived from the navigation system, thus potentially improving electrograms and voltage information location and reducing fluoroscopic time during RFA. Quantitative assessment of LA volume derived from our 3D LA model without PVs is also accurate and may provide important information for patient selection for RFA. Copyright © 2017 Elsevier Inc. All rights reserved.

MOLECULAR DYNAMICS MODELING OF SORPTION OF PESTICIDES ONTO THE SURFACES OF KAOLINITE

EPA Science Inventory

To accurately predict the fate of contaminants in the environment and to make sound decisions about environmental remediation, we must accurately understand sorption mechanisms and surface reactivity of environmental particles. Sorption of selected pesticides on kaolinite surface...

Analysis of method of polarization surveying of water surface oil pollution

NASA Technical Reports Server (NTRS)

Zhukov, B. S.

1979-01-01

A method of polarization surveying of oil films on the water surface is analyzed. Model calculations of contrasted oil and water obtained with different orientations of the analyzer are discussed. The model depends on the spectral range, water transparency and oil film, and the selection of observational direction.

Effects of Combined Surface and In-Depth Absorption on Ignition of PMMA

PubMed Central

Gong, Junhui; Chen, Yixuan; Li, Jing; Jiang, Juncheng; Wang, Zhirong; Wang, Jinghong

2016-01-01

A one-dimensional numerical model and theoretical analysis involving both surface and in-depth radiative heat flux absorption are utilized to investigate the influence of their combination on ignition of PMMA (Polymethyl Methacrylate). Ignition time, transient temperature in a solid and optimized combination of these two absorption modes of black and clear PMMA are examined to understand the ignition mechanism. Based on the comparison, it is found that the selection of constant or variable thermal parameters of PMMA barely affects the ignition time of simulation results. The linearity between tig−0.5 and heat flux does not exist anymore for high heat flux. Both analytical and numerical models underestimate the surface temperature and overestimate the temperature in a solid beneath the heat penetration layer for pure in-depth absorption. Unlike surface absorption circumstances, the peak value of temperature is in the vicinity of the surface but not on the surface for in-depth absorption. The numerical model predicts the ignition time better than the analytical model due to the more reasonable ignition criterion selected. The surface temperature increases with increasing incident heat flux. Furthermore, it also increases with the fraction of surface absorption and the radiative extinction coefficient for fixed heat flux. Finally, the combination is optimized by ignition time, temperature distribution in a solid and mass loss rate. PMID:28773940

Effects of Combined Surface and In-Depth Absorption on Ignition of PMMA.

PubMed

Gong, Junhui; Chen, Yixuan; Li, Jing; Jiang, Juncheng; Wang, Zhirong; Wang, Jinghong

2016-10-05

A one-dimensional numerical model and theoretical analysis involving both surface and in-depth radiative heat flux absorption are utilized to investigate the influence of their combination on ignition of PMMA (Polymethyl Methacrylate). Ignition time, transient temperature in a solid and optimized combination of these two absorption modes of black and clear PMMA are examined to understand the ignition mechanism. Based on the comparison, it is found that the selection of constant or variable thermal parameters of PMMA barely affects the ignition time of simulation results. The linearity between t ig -0.5 and heat flux does not exist anymore for high heat flux. Both analytical and numerical models underestimate the surface temperature and overestimate the temperature in a solid beneath the heat penetration layer for pure in-depth absorption. Unlike surface absorption circumstances, the peak value of temperature is in the vicinity of the surface but not on the surface for in-depth absorption. The numerical model predicts the ignition time better than the analytical model due to the more reasonable ignition criterion selected. The surface temperature increases with increasing incident heat flux. Furthermore, it also increases with the fraction of surface absorption and the radiative extinction coefficient for fixed heat flux. Finally, the combination is optimized by ignition time, temperature distribution in a solid and mass loss rate.

Geometric Model for a Parametric Study of the Blended-Wing-Body Airplane

NASA Technical Reports Server (NTRS)

Mastin, C. Wayne; Smith, Robert E.; Sadrehaghighi, Ideen; Wiese, Micharl R.

1996-01-01

A parametric model is presented for the blended-wing-body airplane, one concept being proposed for the next generation of large subsonic transports. The model is defined in terms of a small set of parameters which facilitates analysis and optimization during the conceptual design process. The model is generated from a preliminary CAD geometry. From this geometry, airfoil cross sections are cut at selected locations and fitted with analytic curves. The airfoils are then used as boundaries for surfaces defined as the solution of partial differential equations. Both the airfoil curves and the surfaces are generated with free parameters selected to give a good representation of the original geometry. The original surface is compared with the parametric model, and solutions of the Euler equations for compressible flow are computed for both geometries. The parametric model is a good approximation of the CAD model and the computed solutions are qualitatively similar. An optimal NURBS approximation is constructed and can be used by a CAD model for further refinement or modification of the original geometry.

Numerical Implementation of the Cohesive Soil Bounding Surface Plasticity Model. Volume I.

DTIC Science & Technology

1983-02-01

AD-R24 866 NUMERICAL IMPLEMENTATION OF THE COHESIVE SOIL BOUNDING 1/2 SURFACE PLASTICITY ..(U) CALIFORNIA UNIV DAVIS DEPT OF CIVIL ENGINEERING L R...a study of various numerical means for implementing the bounding surface plasticity model for cohesive soils is presented. A comparison is made of... Plasticity Models 17 3.4 Selection Of Methods For Comparison 17 3.5 Theory 20 3.5.1 Solution Methods 20 3.5.2 Reduction Of The Number Of Equation

Evaluation and improvement of micro-surfacing mix design method and modelling of asphalt emulsion mastic in terms of filler-emulsion interaction

NASA Astrophysics Data System (ADS)

Robati, Masoud

This Doctorate program focuses on the evaluation and improving the rutting resistance of micro-surfacing mixtures. There are many research problems related to the rutting resistance of micro-surfacing mixtures that still require further research to be solved. The main objective of this Ph.D. program is to experimentally and analytically study and improve rutting resistance of micro-surfacing mixtures. During this Ph.D. program major aspects related to the rutting resistance of micro-surfacing mixtures are investigated and presented as follow: 1) evaluation of a modification of current micro-surfacing mix design procedures: On the basis of this effort, a new mix design procedure is proposed for type III micro-surfacing mixtures as rut-fill materials on the road surface. Unlike the current mix design guidelines and specification, the new mix design is capable of selecting the optimum mix proportions for micro-surfacing mixtures; 2) evaluation of test methods and selection of aggregate grading for type III application of micro-surfacing: Within the term of this study, a new specification for selection of aggregate grading for type III application of micro-surfacing is proposed; 3) evaluation of repeatability and reproducibility of micro-surfacing mixture design tests: In this study, limits for repeatability and reproducibility of micro-surfacing mix design tests are presented; 4) a new conceptual model for filler stiffening effect on asphalt mastic of micro-surfacing: A new model is proposed, which is able to establish limits for minimum and maximum filler concentrations in the micro-surfacing mixture base on only the filler important physical and chemical properties; 5) incorporation of reclaimed asphalt pavement and post-fabrication asphalt shingles in micro-surfacing mixture: The effectiveness of newly developed mix design procedure for micro-surfacing mixtures is further validated using recycled materials. The results present the limits for the use of RAP and RAS amount in micro-surfacing mixtures; 6) new colored micro-surfacing formulations with improved durability and performance: The significant improvement of around 45% in rutting resistance of colored and conventional micro-surfacing mixtures is achieved through employing low penetration grade bitumen polymer modified asphalt emulsion stabilized using nanoparticles.

Geometric modeling of subcellular structures, organelles, and multiprotein complexes

PubMed Central

Feng, Xin; Xia, Kelin; Tong, Yiying; Wei, Guo-Wei

2013-01-01

SUMMARY Recently, the structure, function, stability, and dynamics of subcellular structures, organelles, and multi-protein complexes have emerged as a leading interest in structural biology. Geometric modeling not only provides visualizations of shapes for large biomolecular complexes but also fills the gap between structural information and theoretical modeling, and enables the understanding of function, stability, and dynamics. This paper introduces a suite of computational tools for volumetric data processing, information extraction, surface mesh rendering, geometric measurement, and curvature estimation of biomolecular complexes. Particular emphasis is given to the modeling of cryo-electron microscopy data. Lagrangian-triangle meshes are employed for the surface presentation. On the basis of this representation, algorithms are developed for surface area and surface-enclosed volume calculation, and curvature estimation. Methods for volumetric meshing have also been presented. Because the technological development in computer science and mathematics has led to multiple choices at each stage of the geometric modeling, we discuss the rationales in the design and selection of various algorithms. Analytical models are designed to test the computational accuracy and convergence of proposed algorithms. Finally, we select a set of six cryo-electron microscopy data representing typical subcellular complexes to demonstrate the efficacy of the proposed algorithms in handling biomolecular surfaces and explore their capability of geometric characterization of binding targets. This paper offers a comprehensive protocol for the geometric modeling of subcellular structures, organelles, and multiprotein complexes. PMID:23212797

Tuning selectivity in catalysis by controlling particle shape

NASA Astrophysics Data System (ADS)

Lee, Ilkeun; Delbecq, Françoise; Morales, Ricardo; Albiter, Manuel A.; Zaera, Francisco

2009-02-01

A catalytic process for the selective formation of cis olefins would help minimize the production of unhealthy trans fats during the partial hydrogenation of edible oils. Here we report on the design of such a process on the basis of studies with model systems. Temperature programmed desorption data on single crystals showed that the isomerization of trans olefins to their cis counterparts is promoted by (111) facets of platinum, and that such selectivity is reversed on more open surfaces. Quantum mechanics calculations suggested that the extra stability of cis olefins seen on hydrogen-saturated Pt(111) surfaces may be due to a lesser degree of surface reconstruction, a factor found to be significant in the adsorption on close-packed platinum surfaces. Kinetic data using catalysts made out of dispersed tetrahedral Pt nanoparticles corroborated the selective promotion of the trans-to-cis isomerization on the (111) facets of the metal. Our work provides an example for how catalytic selectivity may be controlled by controlling the shape of the catalytic particles.

Surface Estimation, Variable Selection, and the Nonparametric Oracle Property.

PubMed

Storlie, Curtis B; Bondell, Howard D; Reich, Brian J; Zhang, Hao Helen

2011-04-01

Variable selection for multivariate nonparametric regression is an important, yet challenging, problem due, in part, to the infinite dimensionality of the function space. An ideal selection procedure should be automatic, stable, easy to use, and have desirable asymptotic properties. In particular, we define a selection procedure to be nonparametric oracle (np-oracle) if it consistently selects the correct subset of predictors and at the same time estimates the smooth surface at the optimal nonparametric rate, as the sample size goes to infinity. In this paper, we propose a model selection procedure for nonparametric models, and explore the conditions under which the new method enjoys the aforementioned properties. Developed in the framework of smoothing spline ANOVA, our estimator is obtained via solving a regularization problem with a novel adaptive penalty on the sum of functional component norms. Theoretical properties of the new estimator are established. Additionally, numerous simulated and real examples further demonstrate that the new approach substantially outperforms other existing methods in the finite sample setting.

Surface Estimation, Variable Selection, and the Nonparametric Oracle Property

PubMed Central

Storlie, Curtis B.; Bondell, Howard D.; Reich, Brian J.; Zhang, Hao Helen

2010-01-01

Variable selection for multivariate nonparametric regression is an important, yet challenging, problem due, in part, to the infinite dimensionality of the function space. An ideal selection procedure should be automatic, stable, easy to use, and have desirable asymptotic properties. In particular, we define a selection procedure to be nonparametric oracle (np-oracle) if it consistently selects the correct subset of predictors and at the same time estimates the smooth surface at the optimal nonparametric rate, as the sample size goes to infinity. In this paper, we propose a model selection procedure for nonparametric models, and explore the conditions under which the new method enjoys the aforementioned properties. Developed in the framework of smoothing spline ANOVA, our estimator is obtained via solving a regularization problem with a novel adaptive penalty on the sum of functional component norms. Theoretical properties of the new estimator are established. Additionally, numerous simulated and real examples further demonstrate that the new approach substantially outperforms other existing methods in the finite sample setting. PMID:21603586

Occultation Lightcurves for Selected Pluto Volatile Transport Models

NASA Astrophysics Data System (ADS)

Young, L. A.

2004-11-01

The stellar occultations by Pluto in 1988 and 2002 are demonstrably sensitive to changes in Pluto's atmosphere near one microbar (Elliot and Young 1992, AJ 103, 991; Elliot et al. 2003, Nature 424, 165; Sicardy 2003, Nature 424, 168). However, Pluto volatile-transport models focus on the changes in the atmospheric pressure at the surface (e.g., Hansen and Paige 1996, Icarus 20, 247; Stansberry and Yelle 1999, Icarus 141, 299). What's lacking is a connection between predictions about the surface properties and either temperature and pressure profiles measurable from stellar occultations, or the occultation light curve morphology itself. Radiative-conductive models can illuminate this connection. I will illustrate how Pluto's changing surface pressure, temperature, and heliocentric distance may affect occultation light curves for a selection of existing volatile transport models. Changes in the light curve include the presence or absence of an observable ``kink'' (or departure from an isothermal light curve), the appearance of non-zero minimum flux levels, and the detectability of the solid surface. These light curves can serve as examples of what we may anticipate during the upcoming Pluto occultation season, as Pluto crosses the galactic plane.

Estimation of the barrier layer thickness in the Indian Ocean using Aquarius Salinity

NASA Astrophysics Data System (ADS)

Felton, Clifford S.; Subrahmanyam, Bulusu; Murty, V. S. N.; Shriver, Jay F.

2014-07-01

Monthly barrier layer thickness (BLT) estimates are derived from satellite measurements using a multilinear regression model (MRM) within the Indian Ocean. Sea surface salinity (SSS) from the recently launched Soil Moisture and Ocean Salinity (SMOS) and Aquarius SAC-D salinity missions are utilized to estimate the BLT. The MRM relates BLT to sea surface salinity (SSS), sea surface temperature (SST), and sea surface height anomalies (SSHA). Three regions where the BLT variability is most rigorous are selected to evaluate the performance of the MRM for 2012; the Southeast Arabian Sea (SEAS), Bay of Bengal (BoB), and Eastern Equatorial Indian Ocean (EEIO). The MRM derived BLT estimates are compared to gridded Argo and Hybrid Coordinate Ocean Model (HYCOM) BLTs. It is shown that different mechanisms are important for sustaining the BLT variability in each of the selected regions. Sensitivity tests show that SSS is the primary driver of the BLT within the MRM. Results suggest that salinity measurements obtained from Aquarius and SMOS can be useful for tracking and predicting the BLT in the Indian Ocean. Largest MRM errors occur along coastlines and near islands where land contamination skews the satellite SSS retrievals. The BLT evolution during 2012, as well as the advantages and disadvantages of the current model are discussed. BLT estimations using HYCOM simulations display large errors that are related to model layer structure and the selected BLT methodology.

Correlation between surface reconstruction and polytypism in InAs nanowire selective area epitaxy

NASA Astrophysics Data System (ADS)

Liu, Ziyang; Merckling, Clement; Rooyackers, Rita; Richard, Olivier; Bender, Hugo; Mols, Yves; Vila, María; Rubio-Zuazo, Juan; Castro, Germán R.; Collaert, Nadine; Thean, Aaron; Vandervorst, Wilfried; Heyns, Marc

2017-12-01

The mechanism of widely observed intermixing of wurtzite and zinc-blende crystal structures in InAs nanowire (NW) grown by selective area epitaxy (SAE) is studied. We demonstrate that the crystal structure in InAs NW grown by SAE can be controlled using basic growth parameters, and wurtzitelike InAs NWs are achieved. We link the polytypic InAs NWs SAE to the reconstruction of the growth front (111)B surface. Surface reconstruction study of InAs (111) substrate and the following homoepitaxy experiment suggest that (111) planar defect nucleation is related to the (1 × 1) reconstruction of InAs (111)B surface. In order to reveal it more clearly, a model is presented to correlate growth temperature and arsenic partial pressure with InAs NW crystal structure. This model considers the transition between (1 × 1) and (2 × 2) surface reconstructions in the frame of adatom atoms adsorption/desorption, and the polytypism is thus linked to reconstruction quantitatively. The experimental data fit well with the model, which highly suggests that surface reconstruction plays an important role in the polytypism phenomenon in InAs NWs SAE.

Covalent immobilization of molecularly imprinted polymer nanoparticles using an epoxy silane.

PubMed

Kamra, Tripta; Chaudhary, Shilpi; Xu, Changgang; Johansson, Niclas; Montelius, Lars; Schnadt, Joachim; Ye, Lei

2015-05-01

Molecularly imprinted polymers (MIPs) can be used as antibody mimics to develop robust chemical sensors. One challenging problem in using MIPs for sensor development is the lack of reliable conjugation chemistry that allows MIPs to be fixed on transducer surface. In this work, we study the use of epoxy silane to immobilize MIP nanoparticles on model transducer surfaces without impairing the function of the immobilized nanoparticles. The MIP nanoparticles with a core-shell structure have selective molecular binding sites in the core and multiple amino groups in the shell. The model transducer surface is functionalized with a self-assembled monolayer of epoxy silane, which reacts with the core-shell MIP particles to enable straightforward immobilization. The whole process is characterized by studying the treated surfaces after each preparation step using atomic force microscopy, scanning electron microscopy, fluorescence microscopy, contact angle measurements and X-ray photoelectron spectroscopy. The microscopy results show that the MIP particles are immobilized uniformly on surface. The photoelectron spectroscopy results further confirm the action of each functionalization step. The molecular selectivity of the MIP-functionalized surface is verified by radioligand binding analysis. The particle immobilization approach described here has a general applicability for constructing selective chemical sensors in different formats. Copyright © 2015 The Authors. Published by Elsevier Inc. All rights reserved.

Investigation of microcantilever array with ordered nanoporous coatings for selective chemical detection

NASA Astrophysics Data System (ADS)

Lee, J.-H.; Houk, R. T. J.; Robinson, A.; Greathouse, J. A.; Thornberg, S. M.; Allendorf, M. D.; Hesketh, P. J.

2010-04-01

In this paper we demonstrate the potential for novel nanoporous framework materials (NFM) such as metal-organic frameworks (MOFs) to provide selectivity and sensitivity to a broad range of analytes including explosives, nerve agents, and volatile organic compounds (VOCs). NFM are highly ordered, crystalline materials with considerable synthetic flexibility resulting from the presence of both organic and inorganic components within their structure. Detection of chemical weapons of mass destruction (CWMD), explosives, toxic industrial chemicals (TICs), and volatile organic compounds (VOCs) using micro-electro-mechanical-systems (MEMS) devices, such as microcantilevers and surface acoustic wave sensors, requires the use of recognition layers to impart selectivity. Traditional organic polymers are dense, impeding analyte uptake and slowing sensor response. The nanoporosity and ultrahigh surface areas of NFM enhance transport into and out of the NFM layer, improving response times, and their ordered structure enables structural tuning to impart selectivity. Here we describe experiments and modeling aimed at creating NFM layers tailored to the detection of water vapor, explosives, CWMD, and VOCs, and their integration with the surfaces of MEMS devices. Force field models show that a high degree of chemical selectivity is feasible. For example, using a suite of MOFs it should be possible to select for explosives vs. CWMD, VM vs. GA (nerve agents), and anthracene vs. naphthalene (VOCs). We will also demonstrate the integration of various NFM with the surfaces of MEMS devices and describe new synthetic methods developed to improve the quality of VFM coatings. Finally, MOF-coated MEMS devices show how temperature changes can be tuned to improve response times, selectivity, and sensitivity.

Design and analysis of frequency-selective surface enabled microbolometers

NASA Astrophysics Data System (ADS)

Liu, Tao; Qu, Chuang; Almasri, Mahmoud; Kinzel, Edward

2016-05-01

Frequency Selective Surfaces (FSS) are periodic array of sub-wavelength antenna elements. They allow the absorptance and reflectance of a surface to be engineered with respect to wavelength, polarization and angle-of-incidence. This paper applies this technique to microbolometers for uncooled infrared sensing applications. Both narrowband and broadband near perfect absorbing surfaces are synthesized and applied engineer the response of microbolometers. The paper focuses on simple FSS geometries (hexagonal close packed disk arrays) that can be fabricated using conventional lithographic tools for use at thermal infrared wavelengths (feature sizes > 1 μm). The affects of geometry and material selection for this geometry is described in detail. In the microbolometer application, the FSS controls the absorption rather than a conventional Fabry-Perot cavity and this permits an improved thermal design. A coupled full wave electromagnetic/transient thermal model of the entire microbolometer is presented and analyzed using the finite element method. The absence of the cavity also permits more flexibility in the design of the support arms/contacts. This combined modeling permits prediction of the overall device sensitivity, time-constant and the specific detectivity.

Evaluation of the 29-km Eta Model. Part 1; Objective Verification at Three Selected Stations

NASA Technical Reports Server (NTRS)

Nutter, Paul A.; Manobianco, John; Merceret, Francis J. (Technical Monitor)

1998-01-01

This paper describes an objective verification of the National Centers for Environmental Prediction (NCEP) 29-km eta model from May 1996 through January 1998. The evaluation was designed to assess the model's surface and upper-air point forecast accuracy at three selected locations during separate warm (May - August) and cool (October - January) season periods. In order to enhance sample sizes available for statistical calculations, the objective verification includes two consecutive warm and cool season periods. Systematic model deficiencies comprise the larger portion of the total error in most of the surface forecast variables that were evaluated. The error characteristics for both surface and upper-air forecasts vary widely by parameter, season, and station location. At upper levels, a few characteristic biases are identified. Overall however, the upper-level errors are more nonsystematic in nature and could be explained partly by observational measurement uncertainty. With a few exceptions, the upper-air results also indicate that 24-h model error growth is not statistically significant. In February and August 1997, NCEP implemented upgrades to the eta model's physical parameterizations that were designed to change some of the model's error characteristics near the surface. The results shown in this paper indicate that these upgrades led to identifiable and statistically significant changes in forecast accuracy for selected surface parameters. While some of the changes were expected, others were not consistent with the intent of the model updates and further emphasize the need for ongoing sensitivity studies and localized statistical verification efforts. Objective verification of point forecasts is a stringent measure of model performance, but when used alone, is not enough to quantify the overall value that model guidance may add to the forecast process. Therefore, results from a subjective verification of the meso-eta model over the Florida peninsula are discussed in the companion paper by Manobianco and Nutter. Overall verification results presented here and in part two should establish a reasonable benchmark from which model users and developers may pursue the ongoing eta model verification strategies in the future.

Putting Technology to Work in Science - How to Select Unmanned Aerial Vehicles (UAV) and their Instrumentation for Atmospheric and Earth Surface Observations

NASA Astrophysics Data System (ADS)

Teller, Amit; Lange, Manfred; Ioannou, Stelios; Keleshis, Christos

2010-05-01

The Autonomous Flying Platforms for Atmospheric and Earth Surface Observations project (APAESO) of the Energy, Environment and Water Research Center (EEWRC) at the Cyprus Institute is aimed at the dual purpose of carrying out atmospheric and earth-surface observations in the Mediterranean. The APAESO platforms will offer the unique potential to determine physical, chemical and radiative atmospheric properties, aerosol and dust concentrations, atmospheric dynamics, surface morphology, vegetation and land use patterns as well as ocean surface properties (biology, waves, currents) and to carry out archaeological site reconnaissance and contaminant detection at high spatial resolution. The first phase of APAESO was dedicated to the preliminary design and the selection of an Unmanned Aerial Vehicle (UAV) as the backbone of the APAESO infrastructure. Selection of a UAV suitable for the many research objectives as outlined above is challenging because the UAV technology is new and rapidly evolving. This notwithstanding, a very large number of systems, mostly utilized for defense purposes, are currently available. The major challenge in the selection process lies in considering the trade-off between different platform characteristics (e.g. payload weight, endurance, max. altitude for operation and price) and in optimizing the potential performance of the UAV. Based on the required characteristics for the UAV platform, a survey of possible UAVs and suitable sensors was prepared based on various data sources. We used an elimination process in order to consider only a few models for the final selection process out of about 1000 commercially available UAV models that were initially investigated. The presentation will discuss the main scientific objectives that determine the specification of the UAV platform, major considerations in selecting best available technology for our needs and will briefly describe the next phases of the project.

Data-resolution matrix and model-resolution matrix for Rayleigh-wave inversion using a damped least-squares method

USGS Publications Warehouse

Xia, J.; Miller, R.D.; Xu, Y.

2008-01-01

Inversion of multimode surface-wave data is of increasing interest in the near-surface geophysics community. For a given near-surface geophysical problem, it is essential to understand how well the data, calculated according to a layered-earth model, might match the observed data. A data-resolution matrix is a function of the data kernel (determined by a geophysical model and a priori information applied to the problem), not the data. A data-resolution matrix of high-frequency (>2 Hz) Rayleigh-wave phase velocities, therefore, offers a quantitative tool for designing field surveys and predicting the match between calculated and observed data. We employed a data-resolution matrix to select data that would be well predicted and we find that there are advantages of incorporating higher modes in inversion. The resulting discussion using the data-resolution matrix provides insight into the process of inverting Rayleigh-wave phase velocities with higher-mode data to estimate S-wave velocity structure. Discussion also suggested that each near-surface geophysical target can only be resolved using Rayleigh-wave phase velocities within specific frequency ranges, and higher-mode data are normally more accurately predicted than fundamental-mode data because of restrictions on the data kernel for the inversion system. We used synthetic and real-world examples to demonstrate that selected data with the data-resolution matrix can provide better inversion results and to explain with the data-resolution matrix why incorporating higher-mode data in inversion can provide better results. We also calculated model-resolution matrices in these examples to show the potential of increasing model resolution with selected surface-wave data. ?? Birkhaueser 2008.

Modeling and simulation of the solar concentrator in photovoltaic systems through the application of a new BRDF function model

NASA Astrophysics Data System (ADS)

Plachta, Kamil

2016-04-01

The paper presents a new algorithm that uses a combination of two models of BRDF functions: Torrance-Sparrow model and HTSG model. The knowledge of technical parameters of a surface is especially useful in the construction of the solar concentrator. The concentrator directs the reflected solar radiation on the surface of photovoltaic panels, increasing the amount of incident radiance. The software applying algorithm allows to calculate surface parameters of the solar concentrator. Performed simulation showing the share of diffuse component and directional component in reflected stream for surfaces made from particular materials. The impact of share of each component in reflected stream on the efficiency of the solar concentrator and photovoltaic surface has also been described. Subsequently, simulation change the value of voltage, current and power output of monocrystalline photovoltaic panels installed in a solar concentrator system has been made for selected surface of materials solar concentrator.

Gravity model improvement using GEOS-3 (GEM 9 and 10)

NASA Technical Reports Server (NTRS)

Lerch, F. J.; Klosko, S. M.; Laubscher, R. E.; Wagner, C. A.

1977-01-01

The use of collocation permitted GEM 9 to be a larger field than previous derived satellite models, GEM 9 having harmonics complete to 20 x 20 with selected higher degree terms. The satellite data set has approximately 840,000 observations, of which 200,000 are laser ranges taken on 9 satellites equipped with retroreflectors. GEM 10 is complete to 22 x 22 with selected higher degree terms out to degree and order 30 amounting to a total of 592 coefficients. Comparisons with surface gravity and altimeter data indicate a substantial improvement in GEM 9 over previous satellite solutions; GEM 9 is in even closer agreement with surface data than the previously published GEM 6 solution which contained surface gravity. In particular the free air gravity anomalies calculated from GEM 9 and a surface gravity solution are in excellent agreement for the high degree terms.

Variable selection and model choice in geoadditive regression models.

PubMed

Kneib, Thomas; Hothorn, Torsten; Tutz, Gerhard

2009-06-01

Model choice and variable selection are issues of major concern in practical regression analyses, arising in many biometric applications such as habitat suitability analyses, where the aim is to identify the influence of potentially many environmental conditions on certain species. We describe regression models for breeding bird communities that facilitate both model choice and variable selection, by a boosting algorithm that works within a class of geoadditive regression models comprising spatial effects, nonparametric effects of continuous covariates, interaction surfaces, and varying coefficients. The major modeling components are penalized splines and their bivariate tensor product extensions. All smooth model terms are represented as the sum of a parametric component and a smooth component with one degree of freedom to obtain a fair comparison between the model terms. A generic representation of the geoadditive model allows us to devise a general boosting algorithm that automatically performs model choice and variable selection.

Precipitation Modeling in Nitriding in Fe-M Binary System

NASA Astrophysics Data System (ADS)

Tomio, Yusaku; Miyamoto, Goro; Furuhara, Tadashi

2016-10-01

Precipitation of fine alloy nitrides near the specimen surface results in significant surface hardening in nitriding of alloyed steels. In this study, a simulation model of alloy nitride precipitation during nitriding is developed for Fe-M binary system based upon the Kampmann-Wagner numerical model in order to predict variations in the distribution of precipitates with depth. The model can predict the number density, average radius, and volume fraction of alloy nitrides as a function of depth from the surface and nitriding time. By a comparison with the experimental observation in a nitrided Fe-Cr alloy, it was found that the model can predict successfully the observed particle distribution from the surface into depth when appropriate solubility of CrN, interfacial energy between CrN and α, and nitrogen flux at the surface are selected.

Water levels and groundwater and surface-water exchanges in lakes of the northeast Twin Cities Metropolitan Area, Minnesota, 2002 through 2015

USGS Publications Warehouse

Jones, Perry M.; Trost, Jared J.; Erickson, Melinda L.

2016-10-19

OverviewThis study assessed lake-water levels and regional and local groundwater and surface-water exchanges near northeast Twin Cities Metropolitan Area lakes applying three approaches: statistical analysis, field study, and groundwater-flow modeling.  Statistical analyses of lake levels were completed to assess the effect of physical setting and climate on lake-level fluctuations of selected lakes. A field study of groundwater and surface-water interactions in selected lakes was completed to (1) estimate potential percentages of surface-water contributions to well water across the northeast Twin Cities Metropolitan Area, (2) estimate general ages for waters extracted from the wells, and (3) assess groundwater inflow to lakes and lake-water outflow to aquifers downgradient from White Bear Lake.  Groundwater flow was simulated using a steady-state, groundwater-flow model to assess regional groundwater and surface-water exchanges and the effects of groundwater withdrawals, climate, and other factors on water levels of northeast Twin Cities Metropolitan Area lakes.

Modeling of charged particles trajectories in order to optimize the design of a new, higher resolution, Time of flight- Positron Annihilation Induced Auger Electron Spectroscopy (TOF PAES) System

NASA Astrophysics Data System (ADS)

Joglekar, Prasad; Lim, L.; Satyal, Suman; Kalaskar, Sushant; Shastry, K.; Weiss, Alex

2011-03-01

Time of Flight Positron Annihilation Induced~Auger Electron Spectroscopy~(TOF PAES) is a surface analytical technique with high surface selectivity. TOF PAES is used to study elemental composition, surface defects, and various energy loss mechanisms. Positrons incident on the sample surface at low energies can be trapped in an image-potential well just above the surface Prior to annihilation. Consequently it is possible to use positron annihilation related signals to selectively probe the top-most atomic layer. This poster presents the results of modeling of the charge particle beam transport system performed in connection with the optimization of the the design of the new TOF-PAES system currently under construction at U T Arlington. The system will incorporate a 2 m long drift tube in order to achieve better energy resolution than our previous TOF-PAES system design which used a 1 m long drift tube NSF DMR 0907679, Welch Foundation Y 1100.

Estimation of effective hydrologic properties of soils from observations of vegetation density

NASA Technical Reports Server (NTRS)

Tellers, T. E.; Eagleson, P. S.

1980-01-01

A one-dimensional model of the annual water balance is reviewed. Improvements are made in the method of calculating the bare soil component of evaporation, and in the way surface retention is handled. A natural selection hypothesis, which specifies the equilibrium vegetation density for a given, water limited, climate soil system, is verified through comparisons with observed data. Comparison of CDF's of annual basin yield derived using these soil properties with observed CDF's provides verification of the soil-selection procedure. This method of parameterization of the land surface is useful with global circulation models, enabling them to account for both the nonlinearity in the relationship between soil moisture flux and soil moisture concentration, and the variability of soil properties from place to place over the Earth's surface.

Aerosol and Surface Parameter Retrievals for a Multi-Angle, Multiband Spectrometer

NASA Technical Reports Server (NTRS)

Broderick, Daniel

2012-01-01

This software retrieves the surface and atmosphere parameters of multi-angle, multiband spectra. The synthetic spectra are generated by applying the modified Rahman-Pinty-Verstraete Bidirectional Reflectance Distribution Function (BRDF) model, and a single-scattering dominated atmosphere model to surface reflectance data from Multiangle Imaging SpectroRadiometer (MISR). The aerosol physical model uses a single scattering approximation using Rayleigh scattering molecules, and Henyey-Greenstein aerosols. The surface and atmosphere parameters of the models are retrieved using the Lavenberg-Marquardt algorithm. The software can retrieve the surface and atmosphere parameters with two different scales. The surface parameters are retrieved pixel-by-pixel while the atmosphere parameters are retrieved for a group of pixels where the same atmosphere model parameters are applied. This two-scale approach allows one to select the natural scale of the atmosphere properties relative to surface properties. The software also takes advantage of an intelligent initial condition given by the solution of the neighbor pixels.

Influence of World and Gravity Model Selection on Surface Interacting Vehicle Simulations

NASA Technical Reports Server (NTRS)

Madden, Michael M.

2007-01-01

A vehicle simulation is surface-interacting if the state of the vehicle (position, velocity, and acceleration) relative to the surface is important. Surface-interacting simulations perform ascent, entry, descent, landing, surface travel, or atmospheric flight. Modeling of gravity is an influential environmental factor for surface-interacting simulations. Gravity is the free-fall acceleration observed from a world-fixed frame that rotates with the world. Thus, gravity is the sum of gravitation and the centrifugal acceleration due to the world s rotation. In surface-interacting simulations, the fidelity of gravity at heights above the surface is more significant than gravity fidelity at locations in inertial space. A surface-interacting simulation cannot treat the gravity model separately from the world model, which simulates the motion and shape of the world. The world model's simulation of the world's rotation, or lack thereof, produces the centrifugal acceleration component of gravity. The world model s reproduction of the world's shape will produce different positions relative to the world center for a given height above the surface. These differences produce variations in the gravitation component of gravity. This paper examines the actual performance of world and gravity/gravitation pairs in a simulation using the Earth.

Parametric Investigation of Liquid Jets in Low Gravity

NASA Technical Reports Server (NTRS)

Chato, David J.

2005-01-01

An axisymmetric phase field model is developed and used to model surface tension forces on liquid jets in microgravity. The previous work in this area is reviewed and a baseline drop tower experiment selected for model comparison. This paper uses the model to parametrically investigate the influence of key parameters on the geysers formed by jets in microgravity. Investigation of the contact angle showed the expected trend of increasing contact angle increasing geyser height. Investigation of the tank radius showed some interesting effects and demonstrated the zone of free surface deformation is quite large. Variation of the surface tension with a laminar jet showed clearly the evolution of free surface shape with Weber number. It predicted a breakthrough Weber number of 1.

Predicting Selectivity of Uranium vs. Vanadium from First Principles: Complete Molecular Design and Adsorption Modeling

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

Ivanov, Aleksandr; Das, Sadananda; Bryantsev, Vyacheslav

SUMMARYBackground: Uranium is used as the basic fuel for nuclear power plants, which generate significant amounts of electricity and have life cycle carbon emissions that are as low as renewable energy sources. The extraction of this valuable energy commodity from the ground remains controversial, however, mainly because of environmental and health impacts. Alternatively, seawater offers an enormous uranium resource that may be tapped at minimal environmental cost. Currently, amidoxime polymers are the most widely considered adsorbent materials for large-scale extraction of uranium from seawater, but they are not perfectly selective for uranyl, UO22+. In particular, the competition between UO22+ andmore » vanadium (VO2+/VO2+) cations poses a significant challenge to the efficient mining of UO22+. Thus, accelerating progress in the discovery and deployment of advanced materials for the recovery of uranium relies on the design of new ligands with high binding affinity and selectivity for uranium over competing metal ions. A cost-effective route to aid the discovery of new ligands is to apply computational methods to rapidly test attractive candidates and elucidate data-driven guidelines for rational design.Objectives: One of the key components in achieving rational design of highly selective ligands is the establishment of computational tools capable of assessing ligand selectivity trends. Therefore, the objectives of this study include:1.Establish first-principles methods, based on computational chemistry techniques, to calculate stability constants for UO22+ and VO2+/VO2+ complexes.2.Develop computational protocols to assess the binding strengths and selectivity of ligands that can be present in the actual poly(acrylamidoxime) adsorbents.3.Develop adsorption models that can use information from first-principles computational methods to predict the adsorption behavior of uranium and vanadium by adsorbents synthesized at ORNL and compare results with experimental data.Results: In the first part of the study, we present an approach based on quantum chemical calculations that achieves high accuracy in reproducing experimental aqueous stability constants for UO22+ and VO2+/VO2+ complexes, providing the essential foundation for prospective screening of existing or even yet unsynthesized ligands with higher selectivity for uranium over vanadium. The developed computational protocols were used to assess the binding strengths and selectivity of aliphatic dicarboxylate ligands that can be present in the actual poly(acrylamidoxime) adsorbents. It was found that simple dicarboxylic functional groups possess low binding affinity and selectivity for uranyl, because their backbones present architectures that are poorly organized for the UO22+ complexation. In the second part of the study, adsorption models were developed and coupled with the results of the molecular studies in an effort to predict the adsorption of uranium and vanadium by the ORNL AF1 fiber adsorbent. These models can account for the effects of ligand surface density, specific surface area, surface charging, and other non-idealities of the adsorbent surface. It was found that by utilizing the reaction schemes and binding strengths proposed by the molecular studies, the adsorption model could accurately predict the uptake of uranium by both the acyclic amidoxime (AO) and cyclic imide dioximate (IDO) ligand in the ORNL laboratory studies, especially in the more neutral pH ranges (pH 5 to 9). The model, however, performed less adequately for predicting the uptake of vanadium for the same adsorbent. By exploring the causes behind the discrepancy between the adsorption model and the ORNL laboratory data, we found that the effect of surface charging was suppressing the total vanadium uptake predicted by the model. An investigation of literature revealed that the crystal structures of the 1:2 vanadium/IDO complex involved a sodium ion (Na+), which neutralized the charge of the adsorbed species. When this charge neutral species was included in the adsorption model, the predictions of the vanadium capacities were significantly improved across all pH ranges. This result suggests that, during adsorption, some surface species may closely associate with, or adsorb, counter-ions from solution to neutralize the charge of the adsorbent surface.Significance: This study is particularly significant when considering whether to produce an otherwise highly attractive ligand that may be synthetically challenging. If such a ligand is predicted by our calculations to achieve the desired uranium vs vanadium selectivity, this substantially reduces the risk of taking on such synthetic challenges. Moreover, the elimination of ligands that are unlikely to show a good uranyl binding affinity can release resources to focus on more promising UO22+- selective ligands. Furthermore, the results can successfully rationalize the experimentally observed loss in selectivity of amidoxime-based fibers« less

Sensitivity of land surface modeling to parameters: An uncertainty quantification method applied to the Community Land Model

NASA Astrophysics Data System (ADS)

Ricciuto, D. M.; Mei, R.; Mao, J.; Hoffman, F. M.; Kumar, J.

2015-12-01

Uncertainties in land parameters could have important impacts on simulated water and energy fluxes and land surface states, which will consequently affect atmospheric and biogeochemical processes. Therefore, quantification of such parameter uncertainties using a land surface model is the first step towards better understanding of predictive uncertainty in Earth system models. In this study, we applied a random-sampling, high-dimensional model representation (RS-HDMR) method to analyze the sensitivity of simulated photosynthesis, surface energy fluxes and surface hydrological components to selected land parameters in version 4.5 of the Community Land Model (CLM4.5). Because of the large computational expense of conducting ensembles of global gridded model simulations, we used the results of a previous cluster analysis to select one thousand representative land grid cells for simulation. Plant functional type (PFT)-specific uniform prior ranges for land parameters were determined using expert opinion and literature survey, and samples were generated with a quasi-Monte Carlo approach-Sobol sequence. Preliminary analysis of 1024 simulations suggested that four PFT-dependent parameters (including slope of the conductance-photosynthesis relationship, specific leaf area at canopy top, leaf C:N ratio and fraction of leaf N in RuBisco) are the dominant sensitive parameters for photosynthesis, surface energy and water fluxes across most PFTs, but with varying importance rankings. On the other hand, for surface ans sub-surface runoff, PFT-independent parameters, such as the depth-dependent decay factors for runoff, play more important roles than the previous four PFT-dependent parameters. Further analysis by conditioning the results on different seasons and years are being conducted to provide guidance on how climate variability and change might affect such sensitivity. This is the first step toward coupled simulations including biogeochemical processes, atmospheric processes or both to determine the full range of sensitivity of Earth system modeling to land-surface parameters. This can facilitate sampling strategies in measurement campaigns targeted at reduction of climate modeling uncertainties and can also provide guidance on land parameter calibration for simulation optimization.

Stream profile analysis using a step backwater model for selected reaches in the Chippewa Creek basin in Medina, Wayne, and Summit Counties, Ohio

USGS Publications Warehouse

Straub, David E.; Ebner, Andrew D.

2011-01-01

The USGS, in cooperation with the Chippewa Subdistrict of the Muskingum Watershed Conservancy District, performed hydrologic and hydraulic analyses for selected reaches of three streams in Medina, Wayne, Stark, and Summit Counties in northeast Ohio: Chippewa Creek, Little Chippewa Creek, and River Styx. This study was done to facilitate assessment of various alternatives for mitigating flood hazards in the Chippewa Creek basin. StreamStats regional regression equations were used to estimate instantaneous peak discharges approximately corresponding to bankfull flows. Explanatory variables used in the regression equations were drainage area, main-channel slope, and storage area. Hydraulic models were developed to determine water-surface profiles along the three stream reaches studied for the bankfull discharges established in the hydrologic analyses. The HEC-RAS step-backwater hydraulic analysis model was used to determine water-surface profiles for the three streams. Starting water-surface elevations for all streams were established using normal depth computations in the HEC-RAS models. Cross-sectional elevation data, hydraulic-structure geometries, and roughness coefficients were collected in the field and (along with peak-discharge estimates) used as input for the models. Reach-averaged reductions in water-surface elevations ranged from 0.11 to 1.29 feet over the four roughness coefficient reduction scenarios.

Geometric Image Biomarker Changes of the Parotid Gland Are Associated With Late Xerostomia.

PubMed

van Dijk, Lisanne V; Brouwer, Charlotte L; van der Laan, Hans Paul; Burgerhof, Johannes G M; Langendijk, Johannes A; Steenbakkers, Roel J H M; Sijtsema, Nanna M

2017-12-01

To identify a surrogate marker for late xerostomia 12 months after radiation therapy (Xer 12m ), according to information obtained shortly after treatment. Differences in parotid gland (PG) were quantified in image biomarkers (ΔIBMs) before and 6 weeks after radiation therapy in 107 patients. By performing stepwise forward selection, ΔIBMs that were associated with Xer 12m were selected. Subsequently other variables, such as PG dose and acute xerostomia scores, were added to improve the prediction performance. All models were internally validated. Prediction of Xer 12m based on PG surface reduction (ΔPG-surface) was good (area under the receiver operating characteristic curve, 0.82). Parotid gland dose was related to ΔPG-surface (P<.001, R 2  = 0.27). The addition of acute xerostomia scores to the ΔPG-surface improved the prediction of Xer 12m significantly, and vice versa. The final model including ΔPG-surface and acute xerostomia had outstanding performance in predicting Xer 12m early after radiation therapy (area under the receiver operating characteristic curve, 0.90). Parotid gland surface reduction was associated with late xerostomia. The early posttreatment model with ΔPG-surface and acute xerostomia scores can be considered as a surrogate marker for late xerostomia. Copyright © 2017 The Author(s). Published by Elsevier Inc. All rights reserved.

Adsorption and diffusion of atomic oxygen and sulfur at pristine and doped Ni surfaces with implications for stress corrosion cracking

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

Alexandrov, Vitaly; Sushko, Maria L.; Schreiber, Daniel K.

A density-functional-theory modeling study of atomic oxygen/sulfur adsorption and diffusion at pristine and doped Ni(111) and (110) surfaces is presented. We find that oxygen and sulfur feature comparable adsorption energies over the same surface sites, however, the surface diffusion of sulfur is characterized by an activation barrier about one half that of oxygen. Calculations with different alloying elements at Ni surfaces show that Cr strongly enhances surface binding of both species in comparison to Al. These results in combination with previous modeling studies help explain the observed differences in selective grain boundary oxidation mechanisms of Ni-Cr and Ni-Al alloys.

V2.1.4 L2AS Detailed Release Description September 27, 2001

Atmospheric Science Data Center

2013-03-14

... 27, 2001 Algorithm Changes Change method of selecting radiance pixels to use in aerosol retrieval over ... het. surface retrieval algorithm over areas of 100% dark water. Modify algorithm for selecting a default aerosol model to use in ...

Dissociative chemisorption of methane on metal surfaces: Tests of dynamical assumptions using quantum models and ab initio molecular dynamics

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

Jackson, Bret, E-mail: jackson@chem.umass.edu; Nattino, Francesco; Kroes, Geert-Jan

The dissociative chemisorption of methane on metal surfaces is of great practical and fundamental importance. Not only is it the rate-limiting step in the steam reforming of natural gas, the reaction exhibits interesting mode-selective behavior and a strong dependence on the temperature of the metal. We present a quantum model for this reaction on Ni(100) and Ni(111) surfaces based on the reaction path Hamiltonian. The dissociative sticking probabilities computed using this model agree well with available experimental data with regard to variation with incident energy, substrate temperature, and the vibrational state of the incident molecule. We significantly expand the vibrationalmore » basis set relative to earlier studies, which allows reaction probabilities to be calculated for doubly excited initial vibrational states, though it does not lead to appreciable changes in the reaction probabilities for singly excited initial states. Sudden models used to treat the center of mass motion parallel to the surface are compared with results from ab initio molecular dynamics and found to be reasonable. Similar comparisons for molecular rotation suggest that our rotationally adiabatic model is incorrect, and that sudden behavior is closer to reality. Such a model is proposed and tested. A model for predicting mode-selective behavior is tested, with mixed results, though we find it is consistent with experimental studies of normal vs. total (kinetic) energy scaling. Models for energy transfer into lattice vibrations are also examined.« less

Prey from the eyes of predators: Color discriminability of aposematic and mimetic butterflies from an avian visual perspective.

PubMed

Su, Shiyu; Lim, Matthew; Kunte, Krushnamegh

2015-11-01

Predation exerts strong selection on mimetic butterfly wing color patterns, which also serve other functions such as sexual selection. Therefore, specific selection pressures may affect the sexes and signal components differentially. We tested three predictions about the evolution of mimetic resemblance by comparing wing coloration of aposematic butterflies and their Batesian mimics: (a) females gain greater mimetic advantage than males and therefore are better mimics, (b) due to intersexual genetic correlations, sexually monomorphic mimics are better mimics than female-limited mimics, and (c) mimetic resemblance is better on the dorsal wing surface that is visible to predators in flight. Using a physiological model of avian color vision, we quantified mimetic resemblance from predators' perspective, which showed that female butterflies were better mimics than males. Mimetic resemblance in female-limited mimics was comparable to that in sexually monomorphic mimics, suggesting that intersexual genetic correlations did not constrain adaptive response to selection for female-limited mimicry. Mimetic resemblance on the ventral wing surface was better than that on the dorsal wing surface, implying stronger natural and sexual selection on ventral and dorsal surfaces, respectively. These results suggest that mimetic resemblance in butterfly mimicry rings has evolved under various selective pressures acting in a sex- and wing surface-specific manner. © 2015 The Author(s). Evolution © 2015 The Society for the Study of Evolution.

Analytical and Experimental Evaluation of the Heat Transfer Distribution over the Surfaces of Turbine Vanes

NASA Technical Reports Server (NTRS)

Hylton, L. D.; Mihelc, M. S.; Turner, E. R.; Nealy, D. A.; York, R. E.

1983-01-01

Three airfoil data sets were selected for use in evaluating currently available analytical models for predicting airfoil surface heat transfer distributions in a 2-D flow field. Two additional airfoils, representative of highly loaded, low solidity airfoils currently being designed, were selected for cascade testing at simulated engine conditions. Some 2-D analytical methods were examined and a version of the STAN5 boundary layer code was chosen for modification. The final form of the method utilized a time dependent, transonic inviscid cascade code coupled to a modified version of the STAN5 boundary layer code featuring zero order turbulence modeling. The boundary layer code is structured to accommodate a full spectrum of empirical correlations addressing the coupled influences of pressure gradient, airfoil curvature, and free-stream turbulence on airfoil surface heat transfer distribution and boundary layer transitional behavior. Comparison of pedictions made with the model to the data base indicates a significant improvement in predictive capability.

Analytical and experimental evaluation of the heat transfer distribution over the surfaces of turbine vanes

NASA Astrophysics Data System (ADS)

Hylton, L. D.; Mihelc, M. S.; Turner, E. R.; Nealy, D. A.; York, R. E.

1983-05-01

Three airfoil data sets were selected for use in evaluating currently available analytical models for predicting airfoil surface heat transfer distributions in a 2-D flow field. Two additional airfoils, representative of highly loaded, low solidity airfoils currently being designed, were selected for cascade testing at simulated engine conditions. Some 2-D analytical methods were examined and a version of the STAN5 boundary layer code was chosen for modification. The final form of the method utilized a time dependent, transonic inviscid cascade code coupled to a modified version of the STAN5 boundary layer code featuring zero order turbulence modeling. The boundary layer code is structured to accommodate a full spectrum of empirical correlations addressing the coupled influences of pressure gradient, airfoil curvature, and free-stream turbulence on airfoil surface heat transfer distribution and boundary layer transitional behavior. Comparison of pedictions made with the model to the data base indicates a significant improvement in predictive capability.

Surface roughness model based on force sensors for the prediction of the tool wear.

PubMed

de Agustina, Beatriz; Rubio, Eva María; Sebastián, Miguel Ángel

2014-04-04

In this study, a methodology has been developed with the objective of evaluating the surface roughness obtained during turning processes by measuring the signals detected by a force sensor under the same cutting conditions. In this way, the surface quality achieved along the process is correlated to several parameters of the cutting forces (thrust forces, feed forces and cutting forces), so the effect that the tool wear causes on the surface roughness is evaluated. In a first step, the best cutting conditions (cutting parameters and radius of tool) for a certain quality surface requirement were found for pieces of UNS A97075. Next, with this selection a model of surface roughness based on the cutting forces was developed for different states of wear that simulate the behaviour of the tool throughout its life. The validation of this model reveals that it was effective for approximately 70% of the surface roughness values obtained.

Surface roughness effects on bidirectional reflectance

NASA Technical Reports Server (NTRS)

Smith, T. F.; Hering, R. G.

1972-01-01

An experimental study of surface roughness effects on bidirectional reflectance of metallic surfaces is presented. A facility capable of irradiating a sample from normal to grazing incidence and recording plane of incidence bidirectional reflectance measurements was developed. Samples consisting of glass, aluminum alloy, and stainless steel materials were selected for examination. Samples were roughened using standard grinding techniques and coated with a radiatively opaque layer of pure aluminum. Mechanical surface roughness parameters, rms heights and rms slopes, evaluated from digitized surface profile measurements are less than 1.0 micrometers and 0.28, respectively. Rough surface specular, bidirectional, and directional reflectance measurements for selected values of polar angle of incidence and wavelength of incident energy within the spectral range of 1 to 14 micrometers are reported. The Beckmann bidirectional reflectance model is compared with reflectance measurements to establish its usefulness in describing the magnitude and spatial distribution of energy reflected from rough surfaces.

The Effect of Soil Hydraulic Properties vs. Soil Texture in Land Surface Models

NASA Technical Reports Server (NTRS)

Gutmann, E. D.; Small, E. E.

2005-01-01

This study focuses on the effect of Soil Hydraulic Property (SHP) selection on modeled surface fluxes following a rain storm in a semi-arid environment. SHPs are often defined based on a Soil Texture Class (STC). To examine the effectiveness of this approach, the Noah land surface model was run with each of 1306 soils in a large SHP database. Within most STCs, the outputs have a range of 350 W/m2 for latent and sensible heat fluxes, and 8K for surface temperature. The average difference between STC median values is only 100 W/m2 for latent and sensible heat. It is concluded that STC explains 5-15% of the variance in model outputs and should not be used to determine SHPs.

Response Surface Model Building Using Orthogonal Arrays for Computer Experiments

NASA Technical Reports Server (NTRS)

Unal, Resit; Braun, Robert D.; Moore, Arlene A.; Lepsch, Roger A.

1997-01-01

This study investigates response surface methods for computer experiments and discusses some of the approaches available. Orthogonal arrays constructed for computer experiments are studied and an example application to a technology selection and optimization study for a reusable launch vehicle is presented.

Effect of polymer properties and adherend surfaces on adhesion

NASA Technical Reports Server (NTRS)

Dwight, D. W.; Wightman, J. P.

1976-01-01

High temperature polymer surface characteristics associated with joint strength were evaluated. Selected samples represented composite adherends, aluminum filler and fiber glass carrier cloth. Detailed analysis of fractured joint surfaces revealed unique characteristics typical of the specific adhesive formulations and test conditions. A fracture mechanism model was developed for correlating macroscopic shear strength and microstructure of fracture surfaces. Applications were made to unpublished data on polyimides and fluoropolymers.

Carbon-Water-Energy Relations for Selected River Basins

NASA Technical Reports Server (NTRS)

Choudhury, B. J.

1998-01-01

A biophysical process-based model was run using satellite, assimilated and ancillary data for four years (1987-1990) to calculate components of total evaporation (transpiration, interception, soil and snow evaporation), net radiation, absorbed photosynthetically active radiation and net primary productivity over the global land surface. Satellite observations provided fractional vegetation cover, solar and photosynthetically active radiation incident of the surface, surface albedo, fractional cloud cover, air temperature and vapor pressure. The friction velocity and surface air pressure are obtained from a four dimensional data assimilation results, while precipitation is either only surface observations or a blended product of surface and satellite observations. All surface and satellite data are monthly mean values; precipitation has been disaggregated into daily values. All biophysical parameters of the model are prescribed according to published records. From these global land surface calculations results for river basins are derived using digital templates of basin boundaries. Comparisons with field observations (micrometeorologic, catchment water balance, biomass production) and atmospheric water budget analysis for monthly evaporation from six river basins have been done to assess errors in the calculations. Comparisons are also made with previous estimates of zonal variations of evaporation and net primary productivity. Efficiencies of transpiration, total evaporation and radiation use, and evaporative fraction for selected river basins will be presented.

Increase in the Hydrophilicity and Lewis Acid-Base Properties of Solid Surfaces Achieved by Electric Gliding Discharge in Humid Air: Effects on Bacterial Adherence

NASA Astrophysics Data System (ADS)

Kamgang, J. O.; Naitali, M.; Herry, J.-M.; Bellon-Fontaine, M.-N.; Brisset, J.-L.; Briandet, R.

2009-04-01

This study addressed the effects of treatment with gliding discharge plasma on the surface properties of solid materials, as well as the consequences concerning adherence of a model bacterium. As evaluated by contact angles with selected liquids, plasma treatment caused an increase in surface hydrophilicity and in the Lewis acid-base components of the surface energy of all materials tested. These modifications were more marked for low density polyethylene and stainless steel than for polytetrafluoroethylene. After treatment, the hydrophilicity of the materials remained relatively stable for at least 20 days. Moreover, analysis of the topography of the materials by atomic force microscopy revealed that the roughness of both polymers was reduced by glidarc plasma treatment. As a result of all these modifications, solid substrates were activated towards micro-organisms and the adherence of S. epidermidis, a negatively charged Lewis-base and mildly hydrophilic strain selected as the model, was increased in almost all the cases tested.

Seasonal and Surface Hydrologic Loading Signals at GPS Stations Processed by the GAGE Facility

NASA Astrophysics Data System (ADS)

Puskas, C. M.; Meertens, C. M.; Phillips, D.

2017-12-01

UNAVCO is now producing hydrologic displacement model time series at GPS station coordinates in the Geodesy Advancing Geosciences and EarthScope (GAGE) Facility, including the Plate Boundary Observatory (PBO). The surface loads are obtained from global and national land data assimilation systems (GLDAS and NLDAS, respectively) land surface models produced by the Goddard Earth Sciences Data and Information Services Center (GES DISC). The land surface models are available as monthly files of environmental parameters documenting water, pressure, temperature, and other measures mass/energy transfer on a grid at the Earth's surface. Grids are 1º for the global GLDAS models and 0.125º for the NLDAS models in the conterminous US. UNAVCO extracts the soil moisture, snowpack, and water stored in vegetation parameters and calculates displacements in an elastic half-space at selected points, i.e., GPS station locations. UNAVCO has recently upgraded its hydrologic data products from GLDAS version 1 to version 2 and added NLDAS-based models, and the new data products are now available from the UNAVCO ftp server (ftp://data-out.unavco.org/pub/products/hydro) and will soon be available through web services. The GLDAS v2 models supersede those based on v1, which will no longer be updated. UNAVCO updates its hydrologic products on a quarterly basis. Seasonal signals in the GAGE GPS position time series have amplitudes on the order of several millimeters, which vary across the PBO network depending on local climate and geology. The signals are thought to be a combination of elastic displacement from surface loading and poroelastic displacement from groundwater depletion and recharge. We present a description of the hydrologic displacement modeling and provide examples of loading and resulting displacement. The GLDAS and NLDAS models are compared with each other and with GPS position time series at selected stations in different geographic regions.

Adsorption Behavior of Selective Recognition Functionalized Biochar to Cd(II) in Wastewater

PubMed Central

Zhang, Shiqiu; Yang, Xue; Liu, Le; Ju, Meiting; Zheng, Kui

2018-01-01

Biochar is an excellent absorbent for most heavy metal ions and organic pollutants with high specific surface area, strong aperture structure, high stability, higher cation exchange capacity and rich surface functional groups. To improve the selective adsorption capacity of biochar to designated heavy metal ions, biochar prepared by agricultural waste is modified via Ionic-Imprinted Technique. Fourier transform infrared (FT-IR) spectra analysis and X-ray photoelectron spectroscopy (XPS) analysis of imprinted biochar (IB) indicate that 3-Mercaptopropyltrimethoxysilane is grafted on biochar surface through Si–O–Si bonds. The results of adsorption experiments indicate that the suitable pH range is about 3.0–8.0, the dosage is 2.0 g·L−1, and the adsorption equilibrium is reached within 960 min. In addition, the data match pseudo-second-order kinetic model and Langmuir model well. The computation results of adsorption thermodynamics and stoichiometric displacement theory of adsorption (SDT-A) prove that the adsorption process is spontaneous and endothermic. Finally, IB possesses a higher selectivity adsorption to Cd(II) and a better reuse capacity. The functionalized biochar could solidify designated ions stably. PMID:29443954

3D shape decomposition and comparison for gallbladder modeling

NASA Astrophysics Data System (ADS)

Huang, Weimin; Zhou, Jiayin; Liu, Jiang; Zhang, Jing; Yang, Tao; Su, Yi; Law, Gim Han; Chui, Chee Kong; Chang, Stephen

2011-03-01

This paper presents an approach to gallbladder shape comparison by using 3D shape modeling and decomposition. The gallbladder models can be used for shape anomaly analysis and model comparison and selection in image guided robotic surgical training, especially for laparoscopic cholecystectomy simulation. The 3D shape of a gallbladder is first represented as a surface model, reconstructed from the contours segmented in CT data by a scheme of propagation based voxel learning and classification. To better extract the shape feature, the surface mesh is further down-sampled by a decimation filter and smoothed by a Taubin algorithm, followed by applying an advancing front algorithm to further enhance the regularity of the mesh. Multi-scale curvatures are then computed on the regularized mesh for the robust saliency landmark localization on the surface. The shape decomposition is proposed based on the saliency landmarks and the concavity, measured by the distance from the surface point to the convex hull. With a given tolerance the 3D shape can be decomposed and represented as 3D ellipsoids, which reveal the shape topology and anomaly of a gallbladder. The features based on the decomposed shape model are proposed for gallbladder shape comparison, which can be used for new model selection. We have collected 19 sets of abdominal CT scan data with gallbladders, some shown in normal shape and some in abnormal shapes. The experiments have shown that the decomposed shapes reveal important topology features.

Response Surface Modeling Using Multivariate Orthogonal Functions

NASA Technical Reports Server (NTRS)

Morelli, Eugene A.; DeLoach, Richard

2001-01-01

A nonlinear modeling technique was used to characterize response surfaces for non-dimensional longitudinal aerodynamic force and moment coefficients, based on wind tunnel data from a commercial jet transport model. Data were collected using two experimental procedures - one based on modem design of experiments (MDOE), and one using a classical one factor at a time (OFAT) approach. The nonlinear modeling technique used multivariate orthogonal functions generated from the independent variable data as modeling functions in a least squares context to characterize the response surfaces. Model terms were selected automatically using a prediction error metric. Prediction error bounds computed from the modeling data alone were found to be- a good measure of actual prediction error for prediction points within the inference space. Root-mean-square model fit error and prediction error were less than 4 percent of the mean response value in all cases. Efficacy and prediction performance of the response surface models identified from both MDOE and OFAT experiments were investigated.

An integrated analysis of phenotypic selection on insect body size and development time.

PubMed

Eck, Daniel J; Shaw, Ruth G; Geyer, Charles J; Kingsolver, Joel G

2015-09-01

Most studies of phenotypic selection do not estimate selection or fitness surfaces for multiple components of fitness within a unified statistical framework. This makes it difficult or impossible to assess how selection operates on traits through variation in multiple components of fitness. We describe a new generation of aster models that can evaluate phenotypic selection by accounting for timing of life-history transitions and their effect on population growth rate, in addition to survival and reproductive output. We use this approach to estimate selection on body size and development time for a field population of the herbivorous insect, Manduca sexta (Lepidoptera: Sphingidae). Estimated fitness surfaces revealed strong and significant directional selection favoring both larger adult size (via effects on egg counts) and more rapid rates of early larval development (via effects on larval survival). Incorporating the timing of reproduction and its influence on population growth rate into the analysis resulted in larger values for size in early larval development at which fitness is maximized, and weaker selection on size in early larval development. These results illustrate how the interplay of different components of fitness can influence selection on size and development time. This integrated modeling framework can be readily applied to studies of phenotypic selection via multiple fitness components in other systems. © 2015 The Author(s). Evolution © 2015 The Society for the Study of Evolution.

Fuzzy Clustering-Based Modeling of Surface Interactions and Emulsions of Selected Whey Protein Concentrate Combined to i-Carrageenan and Gum Arabic Solutions

USDA-ARS?s Scientific Manuscript database

Gums and proteins are valuable ingredients with a wide spectrum of applications. Surface properties (surface tension, interfacial tension, emulsion activity index “EAI” and emulsion stability index “ESI”) of 4% whey protein concentrate (WPC) in a combination with '- carrageenan (0.05%, 0.1%, and 0.5...

Use of Novel Surfaces to Reduce Bioadhesion on Infrastructure

DTIC Science & Technology

2010-06-01

Research and Development Center Model species selection • Terrestrial gastropod  Danger to crops  Intermediate host to pathogens  Nocturnal...TBT  Non-target species, legacy contamination  Laborious • Bio-inspiration: leverage biological surfaces that have adapted unique properties... Adapted over 1000s of years • Hypothesis: microstructured pattern tessellations, hydrophobicity, surface properties or hybridizations will reduce

Molecular dynamics simulations of cesium adsorption on illite nanoparticles.

PubMed

Lammers, Laura N; Bourg, Ian C; Okumura, Masahiko; Kolluri, Kedarnath; Sposito, Garrison; Machida, Masahiko

2017-03-15

The charged surfaces of micaceous minerals, especially illite, regulate the mobility of the major radioisotopes of Cs ( 134 Cs, 135 Cs, 137 Cs) in the geosphere. Despite the long history of Cs adsorption studies, the nature of the illite surface sites remains incompletely understood. To address this problem, we present atomistic simulations of Cs competition with Na for three candidate illite adsorption sites - edge, basal plane, and interlayer. Our simulation results are broadly consistent with affinities and selectivities that have been inferred from surface complexation models. Cation exchange on the basal planes is thermodynamically ideal, but exchange on edge surfaces and within interlayers shows complex, thermodynamically non-ideal behavior. The basal planes are weakly Cs-selective, while edges and interlayers have much higher affinity for Cs. The dynamics of NaCs exchange are rapid for both cations on the basal planes, but considerably slower for Cs localized on edge surfaces. In addition to new insights into Cs adsorption and exchange with Na on illite, we report the development of a methodology capable of simulating fully-flexible clay mineral nanoparticles with stable edge surfaces using a well-tested interatomic potential model. Copyright © 2016 Elsevier Inc. All rights reserved.

Evaluation of an atmospheric model with surface and ABL meteorological data for energy applications in structured areas

NASA Astrophysics Data System (ADS)

Triantafyllou, A. G.; Kalogiros, J.; Krestou, A.; Leivaditou, E.; Zoumakis, N.; Bouris, D.; Garas, S.; Konstantinidis, E.; Wang, Q.

2018-03-01

This paper provides the performance evaluation of the meteorological component of The Air Pollution Model (TAPM), a nestable prognostic model, in predicting meteorological variables in urban areas, for both its surface layer and atmospheric boundary layer (ABL) turbulence parameterizations. The model was modified by incorporating four urban land surface types, replacing the existing single urban surface. Control runs were carried out over the wider area of Kozani, an urban area in NW Greece. The model was evaluated for both surface and ABL meteorological variables by using measurements of near-surface and vertical profiles of wind and temperature. The data were collected by using monitoring surface stations in selected sites as well as an acoustic sounder (SOnic Detection And Ranging (SODAR), up to 300 m above ground) and a radiometer profiler (up to 600 m above ground). The results showed the model demonstrated good performance in predicting the near-surface meteorology in the Kozani region for both a winter and a summer month. In the ABL, the comparison showed that the model's forecasts generally performed well with respect to the thermal structure (temperature profiles and ABL height) but overestimated wind speed at the heights of comparison (mostly below 200 m) up to 3-4 ms-1.

Impacts of spectral nudging on the simulated surface air temperature in summer compared with the selection of shortwave radiation and land surface model physics parameterization in a high-resolution regional atmospheric model

NASA Astrophysics Data System (ADS)

Park, Jun; Hwang, Seung-On

2017-11-01

The impact of a spectral nudging technique for the dynamical downscaling of the summer surface air temperature in a high-resolution regional atmospheric model is assessed. The performance of this technique is measured by comparing 16 analysis-driven simulation sets of physical parameterization combinations of two shortwave radiation and four land surface model schemes of the model, which are known to be crucial for the simulation of the surface air temperature. It is found that the application of spectral nudging to the outermost domain has a greater impact on the regional climate than any combination of shortwave radiation and land surface model physics schemes. The optimal choice of two model physics parameterizations is helpful for obtaining more realistic spatiotemporal distributions of land surface variables such as the surface air temperature, precipitation, and surface fluxes. However, employing spectral nudging adds more value to the results; the improvement is greater than using sophisticated shortwave radiation and land surface model physical parameterizations. This result indicates that spectral nudging applied to the outermost domain provides a more accurate lateral boundary condition to the innermost domain when forced by analysis data by securing the consistency with large-scale forcing over a regional domain. This consequently indirectly helps two physical parameterizations to produce small-scale features closer to the observed values, leading to a better representation of the surface air temperature in a high-resolution downscaled climate.

Basic Diagnosis and Prediction of Persistent Contrail Occurrence using High-resolution Numerical Weather Analyses/Forecasts and Logistic Regression. Part II: Evaluation of Sample Models

NASA Technical Reports Server (NTRS)

Duda, David P.; Minnis, Patrick

2009-01-01

Previous studies have shown that probabilistic forecasting may be a useful method for predicting persistent contrail formation. A probabilistic forecast to accurately predict contrail formation over the contiguous United States (CONUS) is created by using meteorological data based on hourly meteorological analyses from the Advanced Regional Prediction System (ARPS) and from the Rapid Update Cycle (RUC) as well as GOES water vapor channel measurements, combined with surface and satellite observations of contrails. Two groups of logistic models were created. The first group of models (SURFACE models) is based on surface-based contrail observations supplemented with satellite observations of contrail occurrence. The second group of models (OUTBREAK models) is derived from a selected subgroup of satellite-based observations of widespread persistent contrails. The mean accuracies for both the SURFACE and OUTBREAK models typically exceeded 75 percent when based on the RUC or ARPS analysis data, but decreased when the logistic models were derived from ARPS forecast data.

Distribution and avoidance of debris on epoxy resin during UV ns-laser scanning processes

NASA Astrophysics Data System (ADS)

Veltrup, Markus; Lukasczyk, Thomas; Ihde, Jörg; Mayer, Bernd

2018-05-01

In this paper the distribution of debris generated by a nanosecond UV laser (248 nm) on epoxy resin and the prevention of the corresponding re-deposition effects by parameter selection for a ns-laser scanning process were investigated. In order to understand the mechanisms behind the debris generation, in-situ particle measurements were performed during laser treatment. These measurements enabled the determination of the ablation threshold of the epoxy resin as well as the particle density and size distribution in relation to the applied laser parameters. The experiments showed that it is possible to reduce debris on the surface with an adapted selection of pulse overlap with respect to laser fluence. A theoretical model for the parameter selection was developed and tested. Based on this model, the correct choice of laser parameters with reduced laser fluence resulted in a surface without any re-deposited micro-particles.

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

How much complexity is warranted in a rainfall-runoff model?

Treesearch

A.J. Jakeman; G.M. Hornberger

1993-01-01

Development of mathmatical models relating the precipitation incident upon a catchment to the streamflow emanating from the catchment has been a major focus af surface water hydrology for decades. Generally, values for parameters in such models must be selected so that runoff calculated from the model "matches" recorded runoff from some historical period....

Estimating the urban bias of surface shelter temperatures using upper-air and satellite data. Part 1: Development of models predicting surface shelter temperatures

NASA Technical Reports Server (NTRS)

Epperson, David L.; Davis, Jerry M.; Bloomfield, Peter; Karl, Thomas R.; Mcnab, Alan L.; Gallo, Kevin P.

1995-01-01

Multiple regression techniques were used to predict surface shelter temperatures based on the time period 1986-89 using upper-air data from the European Centre for Medium-Range Weather Forecasts (ECMWF) to represent the background climate and site-specific data to represent the local landscape. Global monthly mean temperature models were developed using data from over 5000 stations available in the Global Historical Climate Network (GHCN). Monthly maximum, mean, and minimum temperature models for the United States were also developed using data from over 1000 stations available in the U.S. Cooperative (COOP) Network and comparative monthly mean temperature models were developed using over 1150 U.S. stations in the GHCN. Three-, six-, and full-variable models were developed for comparative purposes. Inferences about the variables selected for the various models were easier for the GHCN models, which displayed month-to-month consistency in which variables were selected, than for the COOP models, which were assigned a different list of variables for nearly every month. These and other results suggest that global calibration is preferred because data from the global spectrum of physical processes that control surface temperatures are incorporated in a global model. All of the models that were developed in this study validated relatively well, especially the global models. Recalibration of the models with validation data resulted in only slightly poorer regression statistics, indicating that the calibration list of variables was valid. Predictions using data from the validation dataset in the calibrated equation were better for the GHCN models, and the globally calibrated GHCN models generally provided better U.S. predictions than the U.S.-calibrated COOP models. Overall, the GHCN and COOP models explained approximately 64%-95% of the total variance of surface shelter temperatures, depending on the month and the number of model variables. In addition, root-mean-square errors (rmse's) were over 3 C for GHCN models and over 2 C for COOP models for winter months, and near 2 C for GHCN models and near 1.5 C for COOP models for summer months.

Assessing the influence of watershed characteristics on chlorophyll a in waterbodies at global and regional scales

USGS Publications Warehouse

Woelmer, Whitney; Kao, Yu-Chun; Bunnell, David B.; Deines, Andrew M.; Bennion, David; Rogers, Mark W.; Brooks, Colin N.; Sayers, Michael J.; Banach, David M.; Grimm, Amanda G.; Shuchman, Robert A.

2016-01-01

Prediction of primary production of lentic water bodies (i.e., lakes and reservoirs) is valuable to researchers and resource managers alike, but is very rarely done at the global scale. With the development of remote sensing technologies, it is now feasible to gather large amounts of data across the world, including understudied and remote regions. To determine which factors were most important in explaining the variation of chlorophyll a (Chl-a), an indicator of primary production in water bodies, at global and regional scales, we first developed a geospatial database of 227 water bodies and watersheds with corresponding Chl-a, nutrient, hydrogeomorphic, and climate data. Then we used a generalized additive modeling approach and developed model selection criteria to select models that most parsimoniously related Chl-a to predictor variables for all 227 water bodies and for 51 lakes in the Laurentian Great Lakes region in the data set. Our best global model contained two hydrogeomorphic variables (water body surface area and the ratio of watershed to water body surface area) and a climate variable (average temperature in the warmest model selection criteria to select models that most parsimoniously related Chl-a to predictor variables quarter) and explained ~ 30% of variation in Chl-a. Our regional model contained one hydrogeomorphic variable (flow accumulation) and the same climate variable, but explained substantially more variation (58%). Our results indicate that a regional approach to watershed modeling may be more informative to predicting Chl-a, and that nearly a third of global variability in Chl-a may be explained using hydrogeomorphic and climate variables.

Using remotely-sensed multispectral imagery to build age models for alluvial fan surfaces

NASA Astrophysics Data System (ADS)

D'Arcy, Mitch; Mason, Philippa J.; Roda Boluda, Duna C.; Whittaker, Alexander C.; Lewis, James

2016-04-01

Accurate exposure age models are essential for much geomorphological field research, and generally depend on laboratory analyses such as radiocarbon, cosmogenic nuclide, or luminescence techniques. These approaches continue to revolutionise geomorphology, however they cannot be deployed remotely or in situ in the field. Therefore other methods are still needed for producing preliminary age models, performing relative dating of surfaces, or selecting sampling sites for the laboratory analyses above. With the widespread availability of detailed multispectral imagery, a promising approach is to use remotely-sensed data to discriminate surfaces with different ages. Here, we use new Landsat 8 Operational Land Imager (OLI) multispectral imagery to characterise the reflectance of 35 alluvial fan surfaces in the semi-arid Owens Valley, California. Alluvial fans are useful landforms to date, as they are widely used to study the effects of tectonics, climate and sediment transport processes on source-to-sink sedimentation. Our target fan surfaces have all been mapped in detail in the field, and have well-constrained exposure ages ranging from modern to ~ 125 ka measured using a high density of 10Be cosmogenic nuclide samples. Despite all having similar granitic compositions, the spectral properties of these surfaces vary systematically with their exposure ages. Older surfaces demonstrate a predictable shift in reflectance across the visible and short-wave infrared spectrum. Simple calculations, such as the brightness ratios of different wavelengths, generate sensitive power law relationships with exposure age that depend on post-depositional alteration processes affecting these surfaces. We investigate what these processes might be in this dryland location, and evaluate the potential for using remotely-sensed multispectral imagery for developing surface age models. The ability to remotely sense relative exposure ages has useful implications for preliminary mapping, selecting sampling sites for laboratory-based exposure age techniques, and correlating existing age constraints to un-sampled surfaces.

On using surface-source downhole-receiver logging to determine seismic slownesses

USGS Publications Warehouse

Boore, D.M.; Thompson, E.M.

2007-01-01

We present a method to solve for slowness models from surface-source downhole-receiver seismic travel-times. The method estimates the slownesses in a single inversion of the travel-times from all receiver depths and accounts for refractions at layer boundaries. The number and location of layer interfaces in the model can be selected based on lithologic changes or linear trends in the travel-time data. The interfaces based on linear trends in the data can be picked manually or by an automated algorithm. We illustrate the method with example sites for which geologic descriptions of the subsurface materials and independent slowness measurements are available. At each site we present slowness models that result from different interpretations of the data. The examples were carefully selected to address the reliability of interface-selection and the ability of the inversion to identify thin layers, large slowness contrasts, and slowness gradients. Additionally, we compare the models in terms of ground-motion amplification. These plots illustrate the sensitivity of site amplifications to the uncertainties in the slowness model. We show that one-dimensional site amplifications are insensitive to thin layers in the slowness models; although slowness is variable over short ranges of depth, this variability has little affect on ground-motion amplification at frequencies up to 5 Hz.

A "Model" Multivariable Calculus Course.

ERIC Educational Resources Information Center

Beckmann, Charlene E.; Schlicker, Steven J.

1999-01-01

Describes a rich, investigative approach to multivariable calculus. Introduces a project in which students construct physical models of surfaces that represent real-life applications of their choice. The models, along with student-selected datasets, serve as vehicles to study most of the concepts of the course from both continuous and discrete…

Correlation Analysis of Experimental Remote-Sensing Data and Models of Microwave Rough Sea-Surface Emission

NASA Astrophysics Data System (ADS)

Sazonov, D. S.

2017-12-01

A correlation analysis of the model calculations and experimental measurements of wind-speed sensitivity of a rough sea-surface microwave emission at a frequency of 37.5 GHz are presented. The field data used in the research were collected over 3 years in the summer and autumn periods at the oceanographic platform of the Marine Hydrophysical Institute, Russian Academy of Sciences (RAS). A hypothesis about a significant correlation between the model calculations and experimentally measured sea-surface emission ability caused by wind forcing was formulated and tested to reveal this correlation. An evaluation of the discrepancy between the model and experimental data has been performed by an analysis of residuals. Our studies have shown that among the selected models not a single one adequately describes the experimental data.

Flood-hazard mapping in Honduras in response to Hurricane Mitch

USGS Publications Warehouse

Mastin, M.C.

2002-01-01

The devastation in Honduras due to flooding from Hurricane Mitch in 1998 prompted the U.S. Agency for International Development, through the U.S. Geological Survey, to develop a country-wide systematic approach of flood-hazard mapping and a demonstration of the method at selected sites as part of a reconstruction effort. The design discharge chosen for flood-hazard mapping was the flood with an average return interval of 50 years, and this selection was based on discussions with the U.S. Agency for International Development and the Honduran Public Works and Transportation Ministry. A regression equation for estimating the 50-year flood discharge using drainage area and annual precipitation as the explanatory variables was developed, based on data from 34 long-term gaging sites. This equation, which has a standard error of prediction of 71.3 percent, was used in a geographic information system to estimate the 50-year flood discharge at any location for any river in the country. The flood-hazard mapping method was demonstrated at 15 selected municipalities. High-resolution digital-elevation models of the floodplain were obtained using an airborne laser-terrain mapping system. Field verification of the digital elevation models showed that the digital-elevation models had mean absolute errors ranging from -0.57 to 0.14 meter in the vertical dimension. From these models, water-surface elevation cross sections were obtained and used in a numerical, one-dimensional, steady-flow stepbackwater model to estimate water-surface profiles corresponding to the 50-year flood discharge. From these water-surface profiles, maps of area and depth of inundation were created at the 13 of the 15 selected municipalities. At La Lima only, the area and depth of inundation of the channel capacity in the city was mapped. At Santa Rose de Aguan, no numerical model was created. The 50-year flood and the maps of area and depth of inundation are based on the estimated 50-year storm tide.

Effect of spatial filtering on crosstalk reduction in surface EMG recordings.

PubMed

Mesin, Luca; Smith, Stuart; Hugo, Suzanne; Viljoen, Suretha; Hanekom, Tania

2009-04-01

Increasing the selectivity of the detection system in surface electromyography (EMG) is beneficial in the collection of information of a specific portion of the investigated muscle and to reduce the contribution of undesired components, such as non-propagating components (due to generation or end-of-fibre effects) or crosstalk from nearby muscles. A comparison of the ability of different spatial filters to reduce the amount of crosstalk in surface EMG measurements was conducted in this paper using simulated signals. It focused on the influence of different properties of the muscle anatomy (changing subcutaneous layer thickness, skin conductivity, fibre length) and detection system (single, double and normal double differential, with two inter-electrode distances - IED) on the amount of crosstalk present in the measurements. A cylindrical multilayer (skin, subcutaneous tissue, muscle, bone) analytical model was used to simulate single fibre action potentials (SFAPs). Fibres were grouped together in motor units (MUs) and motor unit action potentials (MUAPs) were obtained by adding the SFAPs of the corresponding fibres. Interference surface EMG signals were obtained, modelling the recruitment of MUs and rate coding. The average rectified value (ARV) and mean frequency (MNF) content of the EMG signals were studied and used as a basis for determining the selectivity of each spatial filter. From these results it was found that the selectivity of each spatial filter varies depending on the transversal location of the measurement electrodes and on the anatomy. An increase in skin conductivity favourably affects the selectivity of normal double differential filters as does an increase in subcutaneous layer thickness. An increase in IED decreases the selectivity of all the analysed filters.

Surface Roughness Model Based on Force Sensors for the Prediction of the Tool Wear

PubMed Central

de Agustina, Beatriz; Rubio, Eva María; Sebastián, Miguel Ángel

2014-01-01

In this study, a methodology has been developed with the objective of evaluating the surface roughness obtained during turning processes by measuring the signals detected by a force sensor under the same cutting conditions. In this way, the surface quality achieved along the process is correlated to several parameters of the cutting forces (thrust forces, feed forces and cutting forces), so the effect that the tool wear causes on the surface roughness is evaluated. In a first step, the best cutting conditions (cutting parameters and radius of tool) for a certain quality surface requirement were found for pieces of UNS A97075. Next, with this selection a model of surface roughness based on the cutting forces was developed for different states of wear that simulate the behaviour of the tool throughout its life. The validation of this model reveals that it was effective for approximately 70% of the surface roughness values obtained. PMID:24714391

Water quality modeling using geographic information system (GIS) data

NASA Technical Reports Server (NTRS)

Engel, Bernard A

1992-01-01

Protection of the environment and natural resources at the Kennedy Space Center (KSC) is of great concern. The potential for surface and ground water quality problems resulting from non-point sources of pollution was examined using models. Since spatial variation of parameters required was important, geographic information systems (GIS) and their data were used. The potential for groundwater contamination was examined using the SEEPAGE (System for Early Evaluation of the Pollution Potential of Agricultural Groundwater Environments) model. A watershed near the VAB was selected to examine potential for surface water pollution and erosion using the AGNPS (Agricultural Non-Point Source Pollution) model.

In situ XPS study of methanol reforming on PdGa near-surface intermetallic phases

PubMed Central

Rameshan, Christoph; Stadlmayr, Werner; Penner, Simon; Lorenz, Harald; Mayr, Lukas; Hävecker, Michael; Blume, Raoul; Rocha, Tulio; Teschner, Detre; Knop-Gericke, Axel; Schlögl, Robert; Zemlyanov, Dmitry; Memmel, Norbert; Klötzer, Bernhard

2012-01-01

In situ X-ray photoelectron spectroscopy and low-energy ion scattering were used to study the preparation, (thermo)chemical and catalytic properties of 1:1 PdGa intermetallic near-surface phases. Deposition of several multilayers of Ga metal and subsequent annealing to 503–523 K led to the formation of a multi-layered 1:1 PdGa near-surface state without desorption of excess Ga to the gas phase. In general, the composition of the PdGa model system is much more variable than that of its PdZn counterpart, which results in gradual changes of the near-surface composition with increasing annealing or reaction temperature. In contrast to near-surface PdZn, in methanol steam reforming, no temperature region with pronounced CO2 selectivity was observed, which is due to the inability of purely intermetallic PdGa to efficiently activate water. This allows to pinpoint the water-activating role of the intermetallic/support interface and/or of the oxide support in the related supported PdxGa/Ga2O3 systems, which exhibit high CO2 selectivity in a broad temperature range. In contrast, corresponding experiments starting on the purely bimetallic model surface in oxidative methanol reforming yielded high CO2 selectivity already at low temperatures (∼460 K), which is due to efficient O2 activation on PdGa. In situ detected partial and reversible oxidative Ga segregation on intermetallic PdGa is associated with total oxidation of intermediate C1 oxygenates to CO2. PMID:22875996

A new capture fraction method to map how pumpage affects surface water flow.

PubMed

Leake, Stanley A; Reeves, Howard W; Dickinson, Jesse E

2010-01-01

All groundwater pumped is balanced by removal of water somewhere, initially from storage in the aquifer and later from capture in the form of increase in recharge and decrease in discharge. Capture that results in a loss of water in streams, rivers, and wetlands now is a concern in many parts of the United States. Hydrologists commonly use analytical and numerical approaches to study temporal variations in sources of water to wells for select points of interest. Much can be learned about coupled surface/groundwater systems, however, by looking at the spatial distribution of theoretical capture for select times of interest. Development of maps of capture requires (1) a reasonably well-constructed transient or steady state model of an aquifer with head-dependent flow boundaries representing surface water features or evapotranspiration and (2) an automated procedure to run the model repeatedly and extract results, each time with a well in a different location. This paper presents new methods for simulating and mapping capture using three-dimensional groundwater flow models and presents examples from Arizona, Oregon, and Michigan.

Age estimation using cortical surface pattern combining thickness with curvatures

PubMed Central

Wang, Jieqiong; Li, Wenjing; Miao, Wen; Dai, Dai; Hua, Jing; He, Huiguang

2014-01-01

Brain development and healthy aging have been proved to follow a specific pattern, which, in turn, can be applied to help doctors diagnose mental diseases. In this paper, we design a cortical surface pattern (CSP) combining the cortical thickness with curvatures, which constructs an accurate human age estimation model with relevance vector regression. We test our model with two public databases. One is the IXI database (360 healthy subjects aging from 20 to 82 years old were selected), and the other is the INDI database (303 subjects aging from 7 to 22 years old were selected). The results show that our model can achieve as small as 4.57 years deviation in the IXI database and 1.38 years deviation in the INDI database. Furthermore, we employ this surface pattern to age groups classification, and get a remarkably high accuracy (97.77%) and a significantly high sensitivity/specificity (97.30%/98.10%). These results suggest that our designed CSP combining thickness with curvatures is stable and sensitive to brain development, and it is much more powerful than voxel-based morphometry used in previous methods for age estimation. PMID:24395657

Study of curved and planar frequency-selective surfaces with nonplanar illumination

NASA Technical Reports Server (NTRS)

Caroglanian, Armen; Webb, Kevin J.

1991-01-01

A locally planar technique (LPT) is investigated for determining the forward-scattered field from a generally shaped inductive frequency-selective surface (FSS) with nonplanar illumination. The results of an experimental study are presented to assess the LPT accuracy. The effects of a nonplanar incident field are determined by comparing the LPT numerical results with a series of experiments with the feed source placed at varying distances from the planar FSS. The limitations of the LPT model due to surface curvature are investigated in an experimental study of the scattered fields from a set of hyperbolic cylinders of different curvatures. From these comparisons, guidelines for applying the locally planar technique are developed.

Assessment of Mars Exploration Rover Landing Site Predictions

NASA Technical Reports Server (NTRS)

Golombek, M. P.; Arvidson, R. E.; Bell, J. F., III; Christensen, P. R.; Crisp, J. A.; Ehlmann, B. L.; Fergason, R. L.; Grant, J. A.; Haldemann, A. F. C.; Parker, T. J.;

Vibrio cholerae use pili and flagella synergistically to effect motility switching and conditional surface attachment

NASA Astrophysics Data System (ADS)

Utada, Andrew S.; Bennett, Rachel R.; Fong, Jiunn C. N.; Gibiansky, Maxsim L.; Yildiz, Fitnat H.; Golestanian, Ramin; Wong, Gerard C. L.

2014-09-01

We show that Vibrio cholerae, the causative agent of cholera, use their flagella and mannose-sensitive hemagglutinin (MSHA) type IV pili synergistically to switch between two complementary motility states that together facilitate surface selection and attachment. Flagellar rotation counter-rotates the cell body, causing MSHA pili to have periodic mechanical contact with the surface for surface-skimming cells. Using tracking algorithms at 5 ms resolution we observe two motility behaviours: ‘roaming', characterized by meandering trajectories, and ‘orbiting’, characterized by repetitive high-curvature orbits. We develop a hydrodynamic model showing that these phenotypes result from a nonlinear relationship between trajectory shape and frictional forces between pili and the surface: strong pili-surface interactions generate orbiting motion, increasing the local bacterial loiter time. Time-lapse imaging reveals how only orbiting mode cells can attach irreversibly and form microcolonies. These observations suggest that MSHA pili are crucial for surface selection, irreversible attachment, and ultimately microcolony formation.

Near Surface Swimming of Salmonella Typhimurium Explains Target-Site Selection and Cooperative Invasion

PubMed Central

Kreibich, Saskia; Vonaesch, Pascale; Andritschke, Daniel; Rout, Samuel; Weidner, Kerstin; Sormaz, Milos; Songhet, Pascal; Horvath, Peter; Chabria, Mamta; Vogel, Viola; Spori, Doris M.; Jenny, Patrick; Hardt, Wolf-Dietrich

2012-01-01

Targeting of permissive entry sites is crucial for bacterial infection. The targeting mechanisms are incompletely understood. We have analyzed target-site selection by S. Typhimurium. This enteropathogenic bacterium employs adhesins (e.g. fim) and the type III secretion system 1 (TTSS-1) for host cell binding, the triggering of ruffles and invasion. Typically, S. Typhimurium invasion is focused on a subset of cells and multiple bacteria invade via the same ruffle. It has remained unclear how this is achieved. We have studied target-site selection in tissue culture by time lapse microscopy, movement pattern analysis and modeling. Flagellar motility (but not chemotaxis) was required for reaching the host cell surface in vitro. Subsequently, physical forces trapped the pathogen for ∼1.5–3 s in “near surface swimming”. This increased the local pathogen density and facilitated “scanning” of the host surface topology. We observed transient TTSS-1 and fim-independent “stopping” and irreversible TTSS-1-mediated docking, in particular at sites of prominent topology, i.e. the base of rounded-up cells and membrane ruffles. Our data indicate that target site selection and the cooperative infection of membrane ruffles are attributable to near surface swimming. This mechanism might be of general importance for understanding infection by flagellated bacteria. PMID:22911370

Monitoring and modeling of sinkhole-related subsidence in west-central Florida mapped from InSAR and surface observations

NASA Astrophysics Data System (ADS)

Kiflu, H.; Oliver-Cabrera, T.; Robinson, T.; Wdowinski, S.; Kruse, S.

2017-12-01

Sinkholes in Florida cause millions of dollars in damage to infrastructure each year. Methods of early detection of sinkhole-related subsidence are clearly desirable. We have completed two years of monitoring of selected sinkhole-prone areas in west central Florida with XXX data and analysis with XXX algorithms. Filters for selecting targets with high signal-to-noise ratio and subsidence over this time window (XX-2015-XX-2017) are being used to select sites for ground study. A subset of the buildings with InSAR-detected subsidence indicated show clear structural indications of subsidence in the form of cracks in walls and roofs. Comsol Multiphysics models have been developed to describe subsidence at the rates identified from the InSAR analysis (a few mm/year) and on spatial scales observed from surface observations, including structural deformation of buildings and ground penetrating radar images of subsurface deformation (length scales of meters to tens of meters). These models assume cylindrical symmetry and deformation of elastic and poroelastic layers over a growing sphering void.

Urban Climate Station Site Selection Through Combined Digital Surface Model and Sun Angle Calculations

NASA Technical Reports Server (NTRS)

Kidd, Chris; Chapman, Lee

2012-01-01

Meteorological measurements within urban areas are becoming increasingly important due to the accentuating effects of climate change upon the Urban Heat Island (UHI). However, ensuring that such measurements are representative of the local area is often difficult due to the diversity of the urban environment. The evaluation of sites is important for both new sites and for the relocation of established sites to ensure that long term changes in the meteorological and climatological conditions continue to be faithfully recorded. Site selection is traditionally carried out in the field using both local knowledge and visual inspection. This paper exploits and assesses the use of lidar-derived digital surface models (DSMs) to quantitatively aid the site selection process. This is acheived by combining the DSM with a solar model, first to generate spatial maps of sky view factors and sun-hour potential and second, to generate site-specific views of the horizon. The results show that such a technique is a useful first-step approach to identify key sites that may be further evaluated for the location of meteorological stations within urban areas.

Molecular-orbital models for the catalytic activity and selectivity of coordinatively unsaturated platinum surfaces and complexes

NASA Astrophysics Data System (ADS)

Balazs, A. C.; Johnson, K. H.

1982-01-01

Electronic structures have been calculated for 5-, 6-, and 10-atom Pt clusters, as well as for a Pt(PH 3) 4 coordination complex, using the self-consistent-field X-alpha scattered-wave (SCF-Xα-SW) molecular-orbital technique. The 10-atom cluster models the local geometry of a flat, unreconstructed Pt(100) surface, while the 5- and 6-atom clusters show features of a stepped Pt surface. Pt(PH 3) 4 resembles the chemically similar homogeneous catalyst Pt(PPh 3) 4. Common to all these coordinatively unsaturated complexes are orbitals lying near or coinciding with the highest occupied molecular orbital ("Fermi level") which show pronounced d lobes pointing directly into the vacuum. Under the hypothesis that these molecular orbitals are mainly responsible for the chemical activities of the above species, one can account for the relative similarities and differences in catalytic activity and selectivity displayed by unreconstructed Pt(100) surfaces, stepped Pt surfaces or particles, and isolated Pt(PPh 3) 4 coordination complexes. The relevance of these findings to catalyst-support interactions is also discussed. Finally, relativistic corrections to the electronic structures are calculated and their implications on catalytic properties discussed.

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.

Modeling and simulation of charged particle beam transport in the UTA 2 meter Time of Flight Positron Annihilation Induced Auger Spectrometer

NASA Astrophysics Data System (ADS)

Joglekar, Prasad; Lim, Lawrence; Kalaskar, Sushant; Shastry, Karthik; Satyal, Suman; Weiss, Alexander

2010-10-01

Time of Flight Positron Annihilation Induced Auger Electron Spectroscopy (TOF PAES) is a surface analytical technique with high surface selectivity. Almost 95% of the PAES signal originates from the sample's topmost layer due to the trapping of positrons just above the surface in an image-potential well before annihilation. This talk presents a description of the TOF technique as the results of modeling of the charged particle transport used in the design of the 2 meter TOF-PAES system currently under construction at UTA.

Rapid surface-biostructure interaction analysis using strong metal-based nanomagnets.

PubMed

Rotzetter, Aline C C; Schumacher, Christoph M; Zako, Tamotsu; Stark, Wendelin J; Maeda, Mizuo

2013-11-19

Nanomaterials are increasingly suggested for the selective adsorption and extraction of complex compounds in biomedicine. Binding of the latter requires specific surface modifications of the nanostructures. However, even complicated macromolecules such as proteins can afford affinities toward basic surface characteristics such as hydrophobicity, topology, and electrostatic charge. In this study, we address these more basic physical interactions. In a model system, the interaction of bovine serum albumin and amyloid β 42 fibrillar aggregates with carbon-coated cobalt nanoparticles, functionalized with various polymers differing in character, was studied. The possibility of rapid magnetic separation upon binding to the surface represents a valuable tool for studying surface interactions and selectivities. We find that the surface interaction of Aβ 42 fibrillar aggregates is mostly hydrophobic in nature. Because bovine serum albumin (BSA) is conformationally adaptive, it is known to bind surfaces with widely differing properties (charge, topology, and hydrophobicity). However, the rate of tight binding (no desorption upon washing) can vary largely depending on the extent of necessary conformational changes for a specific surface. We found that BSA can only bind slowly to polyethylenimine-coated nanomagnets. Under competitive conditions (high excess BSA compared to that for β 42 fibrillar aggregates), this effect is beneficial for targeting the fibrillar species. These findings highlight the possibility of selective extractions from complex media when advantageous basic physical surface properties are chosen.

DIAGNOSTIC EVALUATION OF NUMBERICAL AIR QUALITY MODELS WITH SPECIALIZED AMBIENT OBSERVATIONS: TESTING THE COMMUNITY MULTISCALE AIR QUALITY MODELING SYSTEM (CMAQ) AT SELECTED SOS 95 GROUND SITES

EPA Science Inventory

Three probes for diagnosing photochemical dynamics are presented and applied to specialized ambient surface-level observations and to a numerical photochemical model to better understand rates of production and other process information in the atmosphere and in the model. Howeve...

Modeling the reduction in soil loss due to soil armouring caused by rainfall erosion

USDA-ARS?s Scientific Manuscript database

Surface soil properties can change as a result of soil disturbances, erosion, or deposition. One process that can significantly change surface soil properties is soil armouring, which is the selective removal of finer particles by rill or interrill erosion, leaving an armoured layer of coarser parti...

EMI-Sensor Data to Identify Areas of Manure Accumulation on a Feedlot Surface

USDA-ARS?s Scientific Manuscript database

A study was initiated to test the validity of using electromagnetic induction (EMI) survey data, a prediction-based sampling strategy and ordinary linear regression modeling to predict spatially variable feedlot surface manure accumulation. A 30 m × 60 m feedlot pen with a central mound was selecte...

A Modular Approach To Study Protein Adsorption on Surface Modified Hydroxyapatite.

PubMed

Ozhukil Kollath, Vinayaraj; Van den Broeck, Freya; Fehér, Krisztina; Martins, José C; Luyten, Jan; Traina, Karl; Mullens, Steven; Cloots, Rudi

2015-07-13

Biocompatible inorganic nano- and microcarriers can be suitable candidates for protein delivery. This study demonstrates facile methods of functionalization by using nanoscale linker molecules to change the protein adsorption capacity of hydroxyapatite (HA) powder. The adsorption capacity of bovine serum albumin as a model protein has been studied with respect to the surface modifications. The selected linker molecules (lysine, arginine, and phosphoserine) can influence the adsorption capacity by changing the electrostatic nature of the HA surface. Qualitative and quantitative analyses of linker-molecule interactions with the HA surface have been performed by using NMR spectroscopy, zeta-potential measurements, X-ray photoelectron spectroscopy, and thermogravimetric analyses. Additionally, correlations to theoretical isotherm models have been calculated with respect to Langmuir and Freundlich isotherms. Lysine and arginine increased the protein adsorption, whereas phosphoserine reduced the protein adsorption. The results show that the adsorption capacity can be controlled with different functionalization, depending on the protein-carrier selections under consideration. The scientific knowledge acquired from this study can be applied in various biotechnological applications that involve biomolecule-inorganic material interfaces. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Active surface model improvement by energy function optimization for 3D segmentation.

PubMed

Azimifar, Zohreh; Mohaddesi, Mahsa

2015-04-01

This paper proposes an optimized and efficient active surface model by improving the energy functions, searching method, neighborhood definition and resampling criterion. Extracting an accurate surface of the desired object from a number of 3D images using active surface and deformable models plays an important role in computer vision especially medical image processing. Different powerful segmentation algorithms have been suggested to address the limitations associated with the model initialization, poor convergence to surface concavities and slow convergence rate. This paper proposes a method to improve one of the strongest and recent segmentation algorithms, namely the Decoupled Active Surface (DAS) method. We consider a gradient of wavelet edge extracted image and local phase coherence as external energy to extract more information from images and we use curvature integral as internal energy to focus on high curvature region extraction. Similarly, we use resampling of points and a line search for point selection to improve the accuracy of the algorithm. We further employ an estimation of the desired object as an initialization for the active surface model. A number of tests and experiments have been done and the results show the improvements with regards to the extracted surface accuracy and computational time of the presented algorithm compared with the best and recent active surface models. Copyright © 2015 Elsevier Ltd. All rights reserved.

Simulation of Lunar Surface Communications Network Exploration Scenarios

NASA Technical Reports Server (NTRS)

Linsky, Thomas W.; Bhasin, Kul B.; White, Alex; Palangala, Srihari

2006-01-01

Simulations and modeling of surface-based communications networks provides a rapid and cost effective means of requirement analysis, protocol assessments, and tradeoff studies. Robust testing in especially important for exploration systems, where the cost of deployment is high and systems cannot be easily replaced or repaired. However, simulation of the envisioned exploration networks cannot be achieved using commercial off the shelf network simulation software. Models for the nonstandard, non-COTS protocols used aboard space systems are not readily available. This paper will address the simulation of realistic scenarios representative of the activities which will take place on the surface of the Moon, including selection of candidate network architectures, and the development of an integrated simulation tool using OPNET modeler capable of faithfully modeling those communications scenarios in the variable delay, dynamic surface environments. Scenarios for exploration missions, OPNET development, limitations, and simulations results will be provided and discussed.

Chapman Conference on the Hydrologic Aspects of Global Climate Change, Lake Chelan, WA, June 12-14, 1990, Selected Papers

NASA Technical Reports Server (NTRS)

Lettenmaier, Dennis P. (Editor); Rind, D. (Editor)

1992-01-01

The present conference on the hydrological aspects of global climate change discusses land-surface schemes for future climate models, modeling of the land-surface boundary in climate models as a composite of independent vegetation, a land-surface hydrology parameterizaton with subgrid variability for general circulation models, and conceptual aspects of a statistical-dynamical approach to represent landscape subgrid-scale heterogeneities in atmospheric models. Attention is given to the impact of global warming on river runoff, the influence of atmospheric moisture transport on the fresh water balance of the Atlantic drainage basin, a comparison of observations and model simulations of tropospheric water vapor, and the use of weather types to disaggregate the prediction of general circulation models. Topics addressed include the potential response of an Arctic watershed during a period of global warming and the sensitivity of groundwater recharge estimates to climate variability and change.

Data-Driven Surface Traversability Analysis for Mars 2020 Landing Site Selection

NASA Technical Reports Server (NTRS)

Ono, Masahiro; Rothrock, Brandon; Almeida, Eduardo; Ansar, Adnan; Otero, Richard; Huertas, Andres; Heverly, Matthew

2015-01-01

The objective of this paper is three-fold: 1) to describe the engineering challenges in the surface mobility of the Mars 2020 Rover mission that are considered in the landing site selection processs, 2) to introduce new automated traversability analysis capabilities, and 3) to present the preliminary analysis results for top candidate landing sites. The analysis capabilities presented in this paper include automated terrain classification, automated rock detection, digital elevation model (DEM) generation, and multi-ROI (region of interest) route planning. These analysis capabilities enable to fully utilize the vast volume of high-resolution orbiter imagery, quantitatively evaluate surface mobility requirements for each candidate site, and reject subjectivity in the comparison between sites in terms of engineering considerations. The analysis results supported the discussion in the Second Landing Site Workshop held in August 2015, which resulted in selecting eight candidate sites that will be considered in the third workshop.

A novel surface imprinted polymer/magnetic hydroxyapatite nanocomposite for selective dibenzothiophene scavenging

NASA Astrophysics Data System (ADS)

Ali, Hager R.; El-Maghrabi, Heba H.; Zahran, Fouad; Moustafa, Yasser Mohamed

2017-12-01

Highly selective adsorbent for dibenzothiophene (DBT) was successfully designed and prepared. Molecularly imprinted polymer (MIP) and magnetic hydroxyapatite (MHAP) were used as building blocks for the novel nanocomposite adsorbent. MIP/MHAP was synthesized by grafting polymerization and surface molecular imprinting using DBT as a template molecule. The microstructure and morphology of the designed nanoadsorbent were examined via FTIR, SEM and VSM. Specific surface area and pore size distribution were determined by Quantachrome Nova 3200S automated gas sorption apparatus. Additionally, static adsorption experiments, isotherms and selective recognition adsorption studies were carried out. Reversed-phase high performance liquid chromatography (RP-HPLC) was used to determine DBT. The experimental data exhibits excellent adsorption capacity for DBT reaches 247 mg/g within 60 min. Competitive adsorption results proved that MIP/MHAP have a greater affinity towards DBT molecules than benzothiophene analogues. Pseudo-second-order model and the Langmuir isotherm were used to describe the adsorption process.

Selective adsorption of oppositely charged PNIPAAM on halloysite surfaces: a route to thermo-responsive nanocarriers.

PubMed

Cavallaro, Giuseppe; Lazzara, Giuseppe; Lisuzzo, Lorenzo; Milioto, Stefana; Parisi, Filippo

2018-08-10

Halloysite nanotubes were functionalized with stimuli-responsive macromolecules to generate smart nanohybrids. Poly(N-isopropylacrylamide)-co-methacrylic acid (PNIPAAM-co-MA) was selectively adsorbed into halloysite lumen by exploiting electrostatic interactions. Amine-terminated PNIPAAM polymer was also investigated that selectively interacts with the outer surface of the nanotubes. The adsorption site has a profound effect on the thermodynamic behavior and therefore temperature responsive features of the hybrid material. The drug release kinetics was investigated by using diclofenac as a non-steroidal anti-inflammatory drug model. The release kinetics depends on the nanoarchitecture of the PNIPAAM/halloysite based material. In particular, diclofenac release was slowed down above the LCST for PNIPAAM-co-MA/halloysite. Opposite trends occurred for halloysite functionalized with PNIPAAM at the outer surface. This work represents a further step toward the opportunity to extend and control the delivery conditions of active species, which represent a key point in technological applications.

Flood-inundation maps and updated components for a flood-warning system or the City of Marietta, Ohio and selected communities along the Lower Muskingum River and Ohio River

USGS Publications Warehouse

Whitehead, Matthew T.; Ostheimer, Chad J.

2014-01-01

Flood profiles for selected reaches were prepared by calibrating steady-state step-backwater models to selected streamgage rating curves. The step-backwater models were used to determine water-surface-elevation profiles for up to 12 flood stages at a streamgage with corresponding stream-flows ranging from approximately the 10- to 0.2-percent chance annual-exceedance probabilities for each of the 3 streamgages that correspond to the flood-inundation maps. Additional hydraulic modeling was used to account for the effects of backwater from the Ohio River on water levels in the Muskingum River. The computed longitudinal profiles of flood levels were used with a Geographic Information System digital elevation model (derived from light detection and ranging) to delineate flood-inundation areas. Digital maps showing flood-inundation areas overlain on digital orthophotographs were prepared for the selected floods.

Theoretical study of chlordecone and surface groups interaction in an activated carbon model under acidic and neutral conditions.

PubMed

Gamboa-Carballo, Juan José; Melchor-Rodríguez, Kenia; Hernández-Valdés, Daniel; Enriquez-Victorero, Carlos; Montero-Alejo, Ana Lilian; Gaspard, Sarra; Jáuregui-Haza, Ulises Javier

2016-04-01

Activated carbons (ACs) are widely used in the purification of drinking water without almost any knowledge about the adsorption mechanisms of the persistent organic pollutants. Chlordecone (CLD, Kepone) is an organochlorinated synthetic compound that has been used mainly as agricultural insecticide. CLD has been identified and listed as a persistent organic pollutant by the Stockholm Convention. The selection of the best suited AC for this type of contaminants is mainly an empirical and costly process. A theoretical study of the influence of AC surface groups (SGs) on CLD adsorption is done in order to help understanding the process. This may provide a first selection criteria for the preparation of AC with suitable surface properties. A model of AC consisting of a seven membered ring graphene sheet (coronene) with a functional group on the edge was used to evaluate the influence of the SGs over the adsorption. Multiple Minima Hypersurface methodology (MMH) coupled with PM7 semiempirical Hamiltonian was employed in order to study the interactions of the chlordecone with SGs (hydroxyl and carboxyl) at acidic and neutral pH and different hydration conditions. Selected structures were re-optimized using CAM-B3LYP to achieve a well-defined electron density to characterize the interactions by the Quantum Theory of Atoms in Molecules approach. The deprotonated form of surface carboxyl and hydroxyl groups of AC models show the strongest interactions, suggesting a chemical adsorption. An increase in carboxylic SGs content is proposed to enhance CLD adsorption onto AC at neutral pH conditions. Copyright © 2016 Elsevier Inc. All rights reserved.

A feedback model of figure-ground assignment.

PubMed

Domijan, Drazen; Setić, Mia

2008-05-30

A computational model is proposed in order to explain how bottom-up and top-down signals are combined into a unified perception of figure and background. The model is based on the interaction between the ventral and the dorsal stream. The dorsal stream computes saliency based on boundary signals provided by the simple and the complex cortical cells. Output from the dorsal stream is projected to the surface network which serves as a blackboard on which the surface representation is formed. The surface network is a recurrent network which segregates different surfaces by assigning different firing rates to them. The figure is labeled by the maximal firing rate. Computer simulations showed that the model correctly assigns figural status to the surface with a smaller size, a greater contrast, convexity, surroundedness, horizontal-vertical orientation and a higher spatial frequency content. The simple gradient of activity in the dorsal stream enables the simulation of the new principles of the lower region and the top-bottom polarity. The model also explains how the exogenous attention and the endogenous attention may reverse the figural assignment. Due to the local excitation in the surface network, neural activity at the cued region will spread over the whole surface representation. Therefore, the model implements the object-based attentional selection.

Effects of selective fusion on the thermal history of the Moon, Mars, and Venus

USGS Publications Warehouse

Lee, W.H.K.

1968-01-01

A comparative study on the thermal history of the Moon, Mars, and Venus was made by numerical solutions of the heat equation including and excluding selective fusion of silicates. Selective fusion was approximated by melting in a multicomponent system and redistribution of radioactive elements. Effects on selective fusion on the thermal models are (1) lowering (by several hundred degrees centigrade) and stabilizing the internal temperature distribution, and (2) increasing the surface heat-flow. ?? 1968.

Middle Rio Grande Water Sustainability in Extreme Drought: Using Provenance to Trace Modeling Scenarios Selected by Users

NASA Astrophysics Data System (ADS)

Pennington, D. D.; Garnica Chavira, L.; Villanueva-Rosales, N.

2017-12-01

People living in the vicinity of the middle Rio Grande from Elephant Butte Reservoir in New Mexico through Fort Quitman, Texas, including inhabitants on the Mexican side of the river, are confronted with numerous challenges that include drought, population growth, reduced surface water quality and quantity, declining aquifers, and expected future increases in temperature with more variable precipitation. The transboundary surface water is subject to complex regulation across two U.S. states and two nations (U.S. and Mexico). This presentation will summarize the modeling efforts of a USDA-funded project to characterize potential future solutions for water sustainability while managing agriculture, economic, and human impacts. It will present an online software system designed for rapid, flexible modeling of different climate, policy, and technology scenarios with stakeholders, and the underlying intelligent system that manages model selection, data and parameters, and user choices, and provides a provenance trace based on the W3C PROV standard.

Selective binding of lectins to normal and neoplastic urothelium in rat and mouse bladder carcinogenesis models.

PubMed

Zupančič, Daša; Kreft, Mateja Erdani; Romih, Rok

2014-01-01

Bladder cancer adjuvant intravesical therapy could be optimized by more selective targeting of neoplastic tissue via specific binding of lectins to plasma membrane carbohydrates. Our aim was to establish rat and mouse models of bladder carcinogenesis to investigate in vivo and ex vivo binding of selected lectins to the luminal surface of normal and neoplastic urothelium. Male rats and mice were treated with 0.05 % N-butyl-N-(4-hydroxybutyl)nitrosamine (BBN) in drinking water and used for ex vivo and in vivo lectin binding experiments. Urinary bladder samples were also used for paraffin embedding, scanning electron microscopy and immunofluorescence labelling of uroplakins. During carcinogenesis, the structure of the urinary bladder luminal surface changed from microridges to microvilli and ropy ridges and the expression of urothelial-specific glycoproteins uroplakins was decreased. Ex vivo and in vivo lectin binding experiments gave comparable results. Jacalin (lectin from Artocarpus integrifolia) exhibited the highest selectivity for neoplastic compared to normal urothelium of rats and mice. The binding of lectin from Amaranthus caudatus decreased in rat model and increased in mouse carcinogenesis model, indicating interspecies variations of plasma membrane glycosylation. Lectin from Datura stramonium showed higher affinity for neoplastic urothelium compared to the normal in rat and mouse model. The BBN-induced animal models of bladder carcinogenesis offer a promising approach for lectin binding experiments and further lectin-mediated targeted drug delivery research. Moreover, in vivo lectin binding experiments are comparable to ex vivo experiments, which should be considered when planning and optimizing future research.

Self-consistent many-electron theory of electron work functions and surface potential characteristics for selected metals

NASA Technical Reports Server (NTRS)

Smith, J. R.

1969-01-01

Electron work functions, surface potentials, and electron number density distributions and electric fields in the surface region of 26 metals were calculated from first principles within the free electron model. Calculation proceeded from an expression of the total energy as a functional of the electron number density, including exchange and correlation energies, as well as a first inhomogeneity term. The self-consistent solution was obtained via a variational procedure. Surface barriers were due principally to many-body effects; dipole barriers were small only for some alkali metals, becoming quite large for the transition metals. Surface energies were inadequately described by this model, which neglects atomistic effects. Reasonable results were obtained for electron work functions and surface potential characteristics, maximum electron densities varying by a factor of over 60.

[Effect of stock abundance and environmental factors on the recruitment success of small yellow croaker in the East China Sea].

PubMed

Liu, Zun-lei; Yuan, Xing-wei; Yang, Lin-lin; Yan, Li-ping; Zhang, Hui; Cheng, Jia-hua

2015-02-01

Multiple hypotheses are available to explain recruitment rate. Model selection methods can be used to identify the best model that supports a particular hypothesis. However, using a single model for estimating recruitment success is often inadequate for overexploited population because of high model uncertainty. In this study, stock-recruitment data of small yellow croaker in the East China Sea collected from fishery dependent and independent surveys between 1992 and 2012 were used to examine density-dependent effects on recruitment success. Model selection methods based on frequentist (AIC, maximum adjusted R2 and P-values) and Bayesian (Bayesian model averaging, BMA) methods were applied to identify the relationship between recruitment and environment conditions. Interannual variability of the East China Sea environment was indicated by sea surface temperature ( SST) , meridional wind stress (MWS), zonal wind stress (ZWS), sea surface pressure (SPP) and runoff of Changjiang River ( RCR). Mean absolute error, mean squared predictive error and continuous ranked probability score were calculated to evaluate the predictive performance of recruitment success. The results showed that models structures were not consistent based on three kinds of model selection methods, predictive variables of models were spawning abundance and MWS by AIC, spawning abundance by P-values, spawning abundance, MWS and RCR by maximum adjusted R2. The recruitment success decreased linearly with stock abundance (P < 0.01), suggesting overcompensation effect in the recruitment success might be due to cannibalism or food competition. Meridional wind intensity showed marginally significant and positive effects on the recruitment success (P = 0.06), while runoff of Changjiang River showed a marginally negative effect (P = 0.07). Based on mean absolute error and continuous ranked probability score, predictive error associated with models obtained from BMA was the smallest amongst different approaches, while that from models selected based on the P-value of the independent variables was the highest. However, mean squared predictive error from models selected based on the maximum adjusted R2 was highest. We found that BMA method could improve the prediction of recruitment success, derive more accurate prediction interval and quantitatively evaluate model uncertainty.

Status of surface-water modeling in the U.S. Geological Survey

USGS Publications Warehouse

Jennings, Marshall E.; Yotsukura, Nobuhiro

1979-01-01

The U.S. Geological Survey is active in the development and use of models for the analysis of various types of surface-water problems. Types of problems for which models have been, or are being developed, include categories such as the following: (1)specialized hydraulics, (2)flow routing in streams, estuaries, lakes, and reservoirs, (3) sedimentation, (4) transport of physical, chemical, and biological constituents, (5) surface exchange of heat and mass, (6) coupled stream-aquifer flow systems, (7) physical hydrology for rainfall-runoff relations, stream-system simulations, channel geometry, and water quality, (8) statistical hydrology for synthetic streamflows, floods, droughts, storage, and water quality, (9) management and operation problems, and (10) miscellaneous hydrologic problems. Following a brief review of activities prior to 1970, the current status of surface-water modeling is given as being in a developmental, verification, operational, or continued improvement phase. A list of recently published selected references, provides useful details on the characteristics of models.

Global multiresolution models of surface wave propagation: comparing equivalently regularized Born and ray theoretical solutions

NASA Astrophysics Data System (ADS)

Boschi, Lapo

2006-10-01

I invert a large set of teleseismic phase-anomaly observations, to derive tomographic maps of fundamental-mode surface wave phase velocity, first via ray theory, then accounting for finite-frequency effects through scattering theory, in the far-field approximation and neglecting mode coupling. I make use of a multiple-resolution pixel parametrization which, in the assumption of sufficient data coverage, should be adequate to represent strongly oscillatory Fréchet kernels. The parametrization is finer over North America, a region particularly well covered by the data. For each surface-wave mode where phase-anomaly observations are available, I derive a wide spectrum of plausible, differently damped solutions; I then conduct a trade-off analysis, and select as optimal solution model the one associated with the point of maximum curvature on the trade-off curve. I repeat this exercise in both theoretical frameworks, to find that selected scattering and ray theoretical phase-velocity maps are coincident in pattern, and differ only slightly in amplitude.

Estimation of effective hydrologic properties of soils from observations of vegetation density. M.S. Thesis; [water balance of watersheds in Clinton, Maine and Santa Paula, California

NASA Technical Reports Server (NTRS)

Tellers, T. E.

1980-01-01

An existing one-dimensional model of the annual water balance is reviewed. Slight improvements are made in the method of calculating the bare soil component of evaporation, and in the way surface retention is handled. A natural selection hypothesis, which specifies the equilibrium vegetation density for a given, water limited, climate-soil system, is verified through comparisons with observed data and is employed in the annual water balance of watersheds in Clinton, Ma., and Santa Paula, Ca., to estimate effective areal average soil properties. Comparison of CDF's of annual basin yield derived using these soil properties with observed CDF's provides excellent verification of the soil-selection procedure. This method of parameterization of the land surface should be useful with present global circulation models, enabling them to account for both the non-linearity in the relationship between soil moisture flux and soil moisture concentration, and the variability of soil properties from place to place over the Earth's surface.

A study of the dynamics of droughts in Northern Brazil: Observations, theory, and numerical experiments with a global atmospheric circulation model

NASA Technical Reports Server (NTRS)

Shukla, J.; Moura, A. D.

1980-01-01

The monthly mean sea surface temperature anomalies over tropical Altantic and rainfall anomalies over two selected stations for 25 years (1948-1972) were examined. It is found that the most severe drought events are associated with the simultaneous occurrence of warm sea surface temperature anomalies over north and cold sea surface temperature anomalies over south tropical Atlantic. Simultaneous occurrences of warm sea surface temperature anomaly at 15 deg N, 45 deg W and cold sea surface temperature anomaly at 15 deg S, 5 deg W were always associated with negative anomalies of rainfall, and vice versa. A simple primitive equation model is used to calculate the frictionally controlled and thermally driven circulation due to a prescribed heating function in a resting atmosphere.

Molecular-Orbital Models for the Catayltic Activity and Selectivity of Coordinatively Unsaturated Platinum Surfaces and Complexes.

DTIC Science & Technology

1980-12-31

surfaces. Reactions involving the Pt(O)- triphenylphosphine complexes Pt(PPh 3)n, where n = 2, 3, 4, have been shown to have precise analogues on Pt...12], the triphenylphosphine (PPh 3 ) group is modeled by the simpler but chemically similar phosphine (PH3) group. The appropriate Pt-P bond distances...typically refractory oxides ) are of sufficient magnitude as to suggest significant chemical and electronic modifications of the metal at the metal-support

Backscattering from frost on icy satellites in the outer solar system

NASA Technical Reports Server (NTRS)

Verbiscer, Anne; Helfenstein, Paul; Veverka, Joseph

1990-01-01

Two extreme models are presented of how frost and ice might be intermixed on a typical satellite surface: areal and intimate mixing. Applying such models to selected representative satellite data, it is found that the frost component of the surfaces of these outer satellites must itself be backscattering, unlike its terrestrial counterpart. The difference may arise because frost particles can have much more complex internal textures under the low-temperature and low-gravity conditions of the outer satellites than is the case on earth.

Estimated Chemical Warfare Agent Surface Clearance Goals for Remediation Pre-Planning

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

Dolislager, Frederick; Bansleben, Dr. Donald; Watson, Annetta Paule

2010-01-01

Health-based surface clearance goals, in units of mg/cm2, have been developed for the persistent chemical warfare agents sulfur mustard (HD) and nerve agent VX as well as their principal degradation products. Selection of model parameters and critical receptor (toddler child) allow calculation of surface residue estimates protective for the toddler child, the general population and adult employees of a facilty that has undergone chemical warfare agent attack.

Selective field evaporation in field-ion microscopy for ordered alloys

NASA Astrophysics Data System (ADS)

Ge, Xi-jin; Chen, Nan-xian; Zhang, Wen-qing; Zhu, Feng-wu

1999-04-01

Semiempirical pair potentials, obtained by applying the Chen-inversion technique to a cohesion equation of Rose et al. [Phys. Rev. B 29, 2963 (1984)], are employed to assess the bonding energies of surface atoms of intermetallic compounds. This provides a new calculational model of selective field evaporation in field-ion microscopy (FIM). Based on this model, a successful interpretation of FIM image contrasts for Fe3Al, PtCo, Pt3Co, Ni4Mo, Ni3Al, and Ni3Fe is given.

Developing an Empirical Model for Jet-Surface Interaction Noise

NASA Technical Reports Server (NTRS)

Brown, Clifford A.

2014-01-01

The process of developing an empirical model for jet-surface interaction noise is described and the resulting model evaluated. Jet-surface interaction noise is generated when the high-speed engine exhaust from modern tightly integrated or conventional high-bypass ratio engine aircraft strikes or flows over the airframe surfaces. An empirical model based on an existing experimental database is developed for use in preliminary design system level studies where computation speed and range of configurations is valued over absolute accuracy to select the most promising (or eliminate the worst) possible designs. The model developed assumes that the jet-surface interaction noise spectra can be separated from the jet mixing noise and described as a parabolic function with three coefficients: peak amplitude, spectral width, and peak frequency. These coefficients are fit to functions of surface length and distance from the jet lipline to form a characteristic spectra which is then adjusted for changes in jet velocity and/or observer angle using scaling laws from published theoretical and experimental work. The resulting model is then evaluated for its ability to reproduce the characteristic spectra and then for reproducing spectra measured at other jet velocities and observer angles; successes and limitations are discussed considering the complexity of the jet-surface interaction noise versus the desire for a model that is simple to implement and quick to execute.

Developing an Empirical Model for Jet-Surface Interaction Noise

NASA Technical Reports Server (NTRS)

Brown, Clif

2014-01-01

The process of developing an empirical model for jet-surface interaction noise is described and the resulting model evaluated. Jet-surface interaction noise is generated when the high-speed engine exhaust from modern tightly integrated or conventional high-bypass ratio engine aircraft strikes or flows over the airframe surfaces. An empirical model based on an existing experimental database is developed for use in preliminary design system level studies where computation speed and range of configurations is valued over absolute accuracy to select the most promising (or eliminate the worst) possible designs. The model developed assumes that the jet-surface interaction noise spectra can be separated from the jet mixing noise and described as a parabolic function with three coefficients: peak amplitude, spectral width, and peak frequency. These coefficients are t to functions of surface length and distance from the jet lipline to form a characteristic spectra which is then adjusted for changes in jet velocity and/or observer angle using scaling laws from published theoretical and experimental work. The resulting model is then evaluated for its ability to reproduce the characteristic spectra and then for reproducing spectra measured at other jet velocities and observer angles; successes and limitations are discussed considering the complexity of the jet-surface interaction noise versus the desire for a model that is simple to implement and quick to execute.

A random rule model of surface growth

NASA Astrophysics Data System (ADS)

Mello, Bernardo A.

2015-02-01

Stochastic models of surface growth are usually based on randomly choosing a substrate site to perform iterative steps, as in the etching model, Mello et al. (2001) [5]. In this paper I modify the etching model to perform sequential, instead of random, substrate scan. The randomicity is introduced not in the site selection but in the choice of the rule to be followed in each site. The change positively affects the study of dynamic and asymptotic properties, by reducing the finite size effect and the short-time anomaly and by increasing the saturation time. It also has computational benefits: better use of the cache memory and the possibility of parallel implementation.

Generalized Boussinesq-Scriven surface fluid model with curvature dissipation for liquid surfaces and membranes.

PubMed

Aguilar Gutierrez, Oscar F; Herrera Valencia, Edtson E; Rey, Alejandro D

2017-10-01

Curvature dissipation is relevant in synthetic and biological processes, from fluctuations in semi-flexible polymer solutions, to buckling of liquid columns, tomembrane cell wall functioning. We present a micromechanical model of curvature dissipation relevant to fluid membranes and liquid surfaces based on a parallel surface parameterization and a stress constitutive equation appropriate for anisotropic fluids and fluid membranes.The derived model, aimed at high curvature and high rate of change of curvature in liquid surfaces and membranes, introduces additional viscous modes not included in the widely used 2D Boussinesq-Scriven rheological constitutive equation for surface fluids.The kinematic tensors that emerge from theparallel surface parameterization are the interfacial rate of deformation and the surface co-rotational Zaremba-Jaumann derivative of the curvature, which are used to classify all possibledissipative planar and non-planar modes. The curvature dissipation function that accounts for bending, torsion and twist rates is derived and analyzed under several constraints, including the important inextensional bending mode.A representative application of the curvature dissipation model to the periodic oscillation in nano-wrinkled outer hair cells show how and why curvature dissipation decreases with frequency, and why the 100kHz frequency range is selected. These results contribute to characterize curvature dissipation in membranes and liquid surfaces. Copyright © 2017 Elsevier Inc. All rights reserved.

Highly efficient all-dielectric optical tensor impedance metasurfaces for chiral polarization control.

PubMed

Kim, Minseok; Eleftheriades, George V

2016-10-15

We propose a highly efficient (nearly lossless and impedance-matched) all-dielectric optical tensor impedance metasurface that mimics chiral effects at optical wavelengths. By cascading an array of rotated crossed silicon nanoblocks, we realize chiral optical tensor impedance metasurfaces that operate as circular polarization selective surfaces. Their efficiencies are maximized through a nonlinear numerical optimization process in which the tensor impedance metasurfaces are modeled via multi-conductor transmission line theory. From rigorous full-wave simulations that include all material losses, we show field transmission efficiencies of 94% for right- and left-handed circular polarization selective surfaces at 800 nm.

Diagnosing Model Errors in Simulations of Solar Radiation on Inclined Surfaces: Preprint

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

Xie, Yu; Sengupta, Manajit

2016-06-01

Transposition models have been widely used in the solar energy industry to simulate solar radiation on inclined PV panels. Following numerous studies comparing the performance of transposition models, this paper aims to understand the quantitative uncertainty in the state-of-the-art transposition models and the sources leading to the uncertainty. Our results suggest that an isotropic transposition model developed by Badescu substantially underestimates diffuse plane-of-array (POA) irradiances when diffuse radiation is perfectly isotropic. In the empirical transposition models, the selection of empirical coefficients and land surface albedo can both result in uncertainty in the output. This study can be used as amore » guide for future development of physics-based transposition models.« less

Diagnosing Model Errors in Simulation of Solar Radiation on Inclined Surfaces

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

Xie, Yu; Sengupta, Manajit

2016-11-21

Transposition models have been widely used in the solar energy industry to simulate solar radiation on inclined PV panels. Following numerous studies comparing the performance of transposition models, this paper aims to understand the quantitative uncertainty in the state-of-the-art transposition models and the sources leading to the uncertainty. Our results show significant differences between two highly used isotropic transposition models with one substantially underestimating the diffuse plane-of-array (POA) irradiances when diffuse radiation is perfectly isotropic. In the empirical transposition models, the selection of empirical coefficients and land surface albedo can both result in uncertainty in the output. This study canmore » be used as a guide for future development of physics-based transposition models.« less

Population Genetics of Three Dimensional Range Expansions

NASA Astrophysics Data System (ADS)

Lavrentovich, Maxim; Nelson, David

2014-03-01

We develop a simple model of genetic diversity in growing spherical cell clusters, where the growth is confined to the cluster surface. This kind of growth occurs in cells growing in soft agar, and can also serve as a simple model of avascular tumors. Mutation-selection balance in these radial expansions is strongly influenced by scaling near a neutral, voter model critical point and by the inflating frontier. We develop a scaling theory to describe how the dynamics of mutation-selection balance is cut off by inflation. Genetic drift, i.e., local fluctuations in the genetic diversity, also plays an important role, and can lead to the extinction even of selectively advantageous strains. We calculate this extinction probability, taking into account the effect of rough population frontiers.

Development of Fractal Dimension and Characteristic Roughness Models for Turned Surface of Carbon Steels

NASA Astrophysics Data System (ADS)

Zuo, Xue; Zhu, Hua; Zhou, Yuankai; Ding, Cong; Sun, Guodong

2016-08-01

Relationships between material hardness, turning parameters (spindle speed and feed rate) and surface parameters (surface roughness Ra, fractal dimension D and characteristic roughness τ∗) are studied and modeled using response surface methodology (RSM). The experiments are carried out on a CNC lathe for six carbon steel material AISI 1010, AISI 1020, AISI 1030, AISI 1045, AISI 1050 and AISI 1060. The profile of turned surface and the surface roughness value are measured by a JB-5C profilometer. Based on the profile data, D and τ∗ are computed through the root-mean-square method. The analysis of variance (ANOVA) reveals that spindle speed is the most significant factors affecting Ra, while material hardness is the most dominant parameter affecting τ∗. Material hardness and spindle speed have the same influence on D. Feed rate has less effect on three surface parameters than spindle speed and material hardness. The second-order models of RSM are established for estimating Ra, D and τ∗. The validity of the developed models is approximately 80%. The response surfaces show that a surface with small Ra and large D and τ∗ can be obtained by selecting a high speed and a large hardness material. According to the established models, Ra, D and τ∗ of six carbon steels surfaces can be predicted under cutting conditions studied in this paper. The results have an instructive meaning to estimate the surface quality before turning.

PHYSICAL MODELING OF CONTRACTED FLOW.

USGS Publications Warehouse

Lee, Jonathan K.

1987-01-01

Experiments on steady flow over uniform grass roughness through centered single-opening contractions were conducted in the Flood Plain Simulation Facility at the U. S. Geological Survey's Gulf Coast Hydroscience Center near Bay St. Louis, Miss. The experimental series was designed to provide data for calibrating and verifying two-dimensional, vertically averaged surface-water flow models used to simulate flow through openings in highway embankments across inundated flood plains. Water-surface elevations, point velocities, and vertical velocity profiles were obtained at selected locations for design discharges ranging from 50 to 210 cfs. Examples of observed water-surface elevations and velocity magnitudes at basin cross-sections are presented.

A Decadal Inversion of CO2 Using the Global Eulerian-Lagrangian Coupled Atmospheric Model (GELCA): Sensitivity to the Ground-Based Observation Network

NASA Technical Reports Server (NTRS)

Shirai, T.; Ishizawa, M.; Zhuravlev, R.; Ganshin, A.; Belikov, D.; Saito, M.; Oda, T.; Valsala, V.; Gomez-Pelaez, A. J.; Langenfelds, R.;

Evaluation of hydrologic components of community land model 4 and bias identification

DOE PAGES

Du, Enhao; Vittorio, Alan Di; Collins, William D.

2015-04-01

Runoff and soil moisture are two key components of the global hydrologic cycle that should be validated at local to global scales in Earth System Models (ESMs) used for climate projection. Here, we have evaluated the runoff and surface soil moisture output by the Community Climate System Model (CCSM) along with 8 other models from the Coupled Model Intercomparison Project (CMIP5) repository using satellite soil moisture observations and stream gauge corrected runoff products. A series of Community Land Model (CLM) runs forced by reanalysis and coupled model outputs was also performed to identify atmospheric drivers of biases and uncertainties inmore » the CCSM. Results indicate that surface soil moisture simulations tend to be positively biased in high latitude areas by most selected CMIP5 models except CCSM, FGOALS, and BCC, which share similar land surface model code. With the exception of GISS, runoff simulations by all selected CMIP5 models were overestimated in mountain ranges and in most of the Arctic region. In general, positive biases in CCSM soil moisture and runoff due to precipitation input error were offset by negative biases induced by temperature input error. Excluding the impact from atmosphere modeling, the global mean of seasonal surface moisture oscillation was out of phase compared to observations in many years during 1985–2004. The CLM also underestimated runoff in the Amazon, central Africa, and south Asia, where soils all have high clay content. We hypothesize that lack of a macropore flow mechanism is partially responsible for this underestimation. However, runoff was overestimated in the areas covered by volcanic ash soils (i.e., Andisols), which might be associated with poor soil porosity representation in CLM. Finally, our results indicate that CCSM predictability of hydrology could be improved by addressing the compensating errors associated with precipitation and temperature and updating the CLM soil representation.« less

Land and atmosphere interactions using satellite remote sensing and a coupled mesoscale/land surface model

NASA Astrophysics Data System (ADS)

Hong, Seungbum

Land and atmosphere interactions have long been recognized for playing a key role in climate and weather modeling. However their quantification has been challenging due to the complex nature of the land surface amongst various other reasons. One of the difficult parts in the quantification is the effect of vegetation which are related to land surface processes such soil moisture variation and to atmospheric conditions such as radiation. This study addresses various relational investigations among vegetation properties such as Normalized Difference Vegetation Index (NDVI), Leaf Area Index (LAI), surface temperature (TSK), and vegetation water content (VegWC) derived from satellite sensors such as Moderate Resolution Imaging Spectroradiometer (MODIS) and EOS Advanced Microwave Scanning Radiometer (AMSR-E). The study provides general information about a physiological behavior of vegetation for various environmental conditions. Second, using a coupled mesoscale/land surface model, we examined the effects of vegetation and its relationship with soil moisture on the simulated land-atmospheric interactions through the model sensitivity tests. The Weather Research and Forecasting (WRF) model was selected for this study, and the Noah land surface model (Noah LSM) implemented in the WRF model was used for the model coupled system. This coupled model was tested through two parameterization methods for vegetation fraction using MODIS data and through model initialization of soil moisture from High Resolution Land Data Assimilation System (HRLDAS). Then, this study evaluates the model improvements for each simulation method.

Turbulence Control Through Selective Surface Heating Using Microwave Radiation

DTIC Science & Technology

2013-05-01

models. This type of plasma actuators needs further development to follow aerodynamic requirements of wind -tunnel experiments. 5. Ring -type plasma...modes of MW-heated elements in the aerodynamic experiment. Design of a resistive vibrator array for the airfoil model to be tested in a wind tunnel...

Contracting out : bench marking study : phase 1, part 2 : external data collection

DOT National Transportation Integrated Search

1999-11-10

This paper is a survey of several models used in the U.S. to estimate the impact of greenhouse gases (GHG) control strategies in the surface transport sector. The models chosen for review were selected to represent both the state-of-the-art, and the ...

Neural networks with fuzzy Petri nets for modeling a machining process

NASA Astrophysics Data System (ADS)

Hanna, Moheb M.

1998-03-01

The paper presents an intelligent architecture based a feedforward neural network with fuzzy Petri nets for modeling product quality in a CNC machining center. It discusses how the proposed architecture can be used for modeling, monitoring and control a product quality specification such as surface roughness. The surface roughness represents the output quality specification manufactured by a CNC machining center as a result of a milling process. The neural network approach employed the selected input parameters which defined by the machine operator via the CNC code. The fuzzy Petri nets approach utilized the exact input milling parameters, such as spindle speed, feed rate, tool diameter and coolant (off/on), which can be obtained via the machine or sensors system. An aim of the proposed architecture is to model the demanded quality of surface roughness as high, medium or low.

A new capture fraction method to map how pumpage affects surface water flow

USGS Publications Warehouse

Leake, S.A.; Reeves, H.W.; Dickinson, J.E.

2010-01-01

All groundwater pumped is balanced by removal of water somewhere, initially from storage in the aquifer and later from capture in the form of increase in recharge and decrease in discharge. Capture that results in a loss of water in streams, rivers, and wetlands now is a concern in many parts of the United States. Hydrologists commonly use analytical and numerical approaches to study temporal variations in sources of water to wells for select points of interest. Much can be learned about coupled surface/groundwater systems, however, by looking at the spatial distribution of theoretical capture for select times of interest. Development of maps of capture requires (1) a reasonably well-constructed transient or steady state model of an aquifer with head-dependent flow boundaries representing surface water features or evapotranspiration and (2) an automated procedure to run the model repeatedly and extract results, each time with a well in a different location. This paper presents new methods for simulating and mapping capture using three-dimensional groundwater flow models and presents examples from Arizona, Oregon, and Michigan. Journal compilation ?? 2010 National Ground Water Association. No claim to original US government works.

Evolution at the tips: Asclepias phylogenomics and new perspectives on leaf surfaces.

PubMed

Fishbein, Mark; Straub, Shannon C K; Boutte, Julien; Hansen, Kimberly; Cronn, Richard C; Liston, Aaron

2018-03-01

Leaf surface traits, such as trichome density and wax production, mediate important ecological processes such as anti-herbivory defense and water-use efficiency. We present a phylogenetic analysis of Asclepias plastomes as a framework for analyzing the evolution of trichome density and presence of epicuticular waxes. We produced a maximum-likelihood phylogeny using plastomes of 103 species of Asclepias. We reconstructed ancestral states and used model comparisons in a likelihood framework to analyze character evolution across Asclepias. We resolved the backbone of Asclepias, placing the Sonoran Desert clade and Incarnatae clade as successive sisters to the remaining species. We present novel findings about leaf surface evolution of Asclepias-the ancestor is reconstructed as waxless and sparsely hairy, a macroevolutionary optimal trichome density is supported, and the rate of evolution of trichome density has accelerated. Increased sampling and selection of best-fitting models of evolution provide more resolved and robust estimates of phylogeny and character evolution than obtained in previous studies. Evolutionary inferences are more sensitive to character coding than model selection. © 2018 The Authors. American Journal of Botany is published by Wiley Periodicals, Inc. on behalf of the Botanical Society of America.

Level-Set Simulation of Viscous Free Surface Flow Around a Commercial Hull Form

DTIC Science & Technology

2005-04-15

Abstract The viscous free surface flow around a 3600 TEU KRISO Container Ship is computed using the finite volume based multi-block RANS code, WAVIS...developed at KRISO . The free surface is captured with the Level-set method and the realizable k-ε model is employed for turbulence closure. The...computations are done for a 3600 TEU container ship of Korea Research Institute of Ships & Ocean Engineering, KORDI (hereafter, KRISO ) selected as

Dividing attention between two transparent motion surfaces results in a failure of selective attention

PubMed Central

Ernst, Zachary Raymond; Palmer, John; Boynton, Geoffrey M.

2012-01-01

In object-based attention, it is easier to divide attention between features within a single object than between features across objects. In this study we test the prediction of several capacity models in order to best characterize the cost to dividing attention between objects. Here we studied behavioral performance on a divided attention task in which subjects attended to the motion and luminance of overlapping random dot kinemategrams, specifically red upward moving dots superimposed with green downward moving dots. Subjects were required to detect brief changes (transients) in the motion or luminance within the same surface or across different surfaces. There were two primary results. First, the dual-task deficit was large when attention was divided across two surfaces and near zero when attention was divided within a surface. This is consistent with limited-capacity processing across surfaces and unlimited-capacity processing within a surface—a pattern predicted by established theories of object-based attention. Second and unexpectedly, there was evidence of crosstalk between features: when cued to monitor transients on one surface, response rates were inflated by the presence of a transient on the other surface. Such crosstalk is a failure of selective attention between surfaces. PMID:23149301

On the interest of combining an analog model to a regression model for the adaptation of the downscaling link. Application to probabilistic prediction of precipitation over France.

NASA Astrophysics Data System (ADS)

Chardon, Jérémy; Hingray, Benoit; Favre, Anne-Catherine

2016-04-01

Scenarios of surface weather required for the impact studies have to be unbiased and adapted to the space and time scales of the considered hydro-systems. Hence, surface weather scenarios obtained from global climate models and/or numerical weather prediction models are not really appropriated. Outputs of these models have to be post-processed, which is often carried out thanks to Statistical Downscaling Methods (SDMs). Among those SDMs, approaches based on regression are often applied. For a given station, a regression link can be established between a set of large scale atmospheric predictors and the surface weather variable. These links are then used for the prediction of the latter. However, physical processes generating surface weather vary in time. This is well known for precipitation for instance. The most relevant predictors and the regression link are also likely to vary in time. A better prediction skill is thus classically obtained with a seasonal stratification of the data. Another strategy is to identify the most relevant predictor set and establish the regression link from dates that are similar - or analog - to the target date. In practice, these dates can be selected thanks to an analog model. In this study, we explore the possibility of improving the local performance of an analog model - where the analogy is applied to the geopotential heights 1000 and 500 hPa - using additional local scale predictors for the probabilistic prediction of the Safran precipitation over France. For each prediction day, the prediction is obtained from two GLM regression models - for both the occurrence and the quantity of precipitation - for which predictors and parameters are estimated from the analog dates. Firstly, the resulting combined model noticeably allows increasing the prediction performance by adapting the downscaling link for each prediction day. Secondly, the selected predictors for a given prediction depend on the large scale situation and on the considered region. Finally, even with such an adaptive predictor identification, the downscaling link appears to be robust: for a same prediction day, predictors selected for different locations of a given region are similar and the regression parameters are consistent within the region of interest.

The evolution of methods for noise prediction of high speed rotors and propellers in the time domain

NASA Technical Reports Server (NTRS)

Farassat, F.

1986-01-01

Linear wave equation models which have been used over the years at NASA Langley for describing noise emissions from high speed rotating blades are summarized. The noise sources are assumed to lie on a moving surface, and analysis of the situation has been based on the Ffowcs Williams-Hawkings (FW-H) equation. Although the equation accounts for two surface and one volume source, the NASA analyses have considered only the surface terms. Several variations on the FW-H model are delineated for various types of applications, noting the computational benefits of removing the frequency dependence of the calculations. Formulations are also provided for compact and noncompact sources, and features of Long's subsonic integral equation and Farassat's high speed integral equation are discussed. The selection of subsonic or high speed models is dependent on the Mach number of the blade surface where the source is located.

Mean-field and linear regime approach to magnetic hyperthermia of core-shell nanoparticles: can tiny nanostructures fight cancer?

NASA Astrophysics Data System (ADS)

Carrião, Marcus S.; Bakuzis, Andris F.

2016-04-01

The phenomenon of heat dissipation by magnetic materials interacting with an alternating magnetic field, known as magnetic hyperthermia, is an emergent and promising therapy for many diseases, mainly cancer. Here, a magnetic hyperthermia model for core-shell nanoparticles is developed. The theoretical calculation, different from previous models, highlights the importance of heterogeneity by identifying the role of surface and core spins on nanoparticle heat generation. We found that the most efficient nanoparticles should be obtained by selecting materials to reduce the surface to core damping factor ratio, increasing the interface exchange parameter and tuning the surface to core anisotropy ratio for each material combination. From our results we propose a novel heat-based hyperthermia strategy with the focus on improving the heating efficiency of small sized nanoparticles instead of larger ones. This approach might have important implications for cancer treatment and could help improving clinical efficacy.The phenomenon of heat dissipation by magnetic materials interacting with an alternating magnetic field, known as magnetic hyperthermia, is an emergent and promising therapy for many diseases, mainly cancer. Here, a magnetic hyperthermia model for core-shell nanoparticles is developed. The theoretical calculation, different from previous models, highlights the importance of heterogeneity by identifying the role of surface and core spins on nanoparticle heat generation. We found that the most efficient nanoparticles should be obtained by selecting materials to reduce the surface to core damping factor ratio, increasing the interface exchange parameter and tuning the surface to core anisotropy ratio for each material combination. From our results we propose a novel heat-based hyperthermia strategy with the focus on improving the heating efficiency of small sized nanoparticles instead of larger ones. This approach might have important implications for cancer treatment and could help improving clinical efficacy. Electronic supplementary information (ESI) available: Unit cells per region calculation; core-shell Hamiltonian; magnetisation description functions; energy argument of Brillouin function; polydisperse models; details of experimental procedure; LRT versus core-shell model; model calculation software; and shell thickness study. See DOI: 10.1039/C5NR09093H

Optimization of Modeled Land-Atmosphere Exchanges of Water and Energy in an Isotopically-Enabled Land Surface Model by Bayesian Parameter Calibration

NASA Astrophysics Data System (ADS)

Wong, T. E.; Noone, D. C.; Kleiber, W.

2014-12-01

The single largest uncertainty in climate model energy balance is the surface latent heating over tropical land. Furthermore, the partitioning of the total latent heat flux into contributions from surface evaporation and plant transpiration is of great importance, but notoriously poorly constrained. Resolving these issues will require better exploiting information which lies at the interface between observations and advanced modeling tools, both of which are imperfect. There are remarkably few observations which can constrain these fluxes, placing strict requirements on developing statistical methods to maximize the use of limited information to best improve models. Previous work has demonstrated the power of incorporating stable water isotopes into land surface models for further constraining ecosystem processes. We present results from a stable water isotopically-enabled land surface model (iCLM4), including model experiments partitioning the latent heat flux into contributions from plant transpiration and surface evaporation. It is shown that the partitioning results are sensitive to the parameterization of kinetic fractionation used. We discuss and demonstrate an approach to calibrating select model parameters to observational data in a Bayesian estimation framework, requiring Markov Chain Monte Carlo sampling of the posterior distribution, which is shown to constrain uncertain parameters as well as inform relevant values for operational use. Finally, we discuss the application of the estimation scheme to iCLM4, including entropy as a measure of information content and specific challenges which arise in calibration models with a large number of parameters.

Bayesian evidence for the prevalence of waterworlds

NASA Astrophysics Data System (ADS)

Simpson, Fergus

2017-07-01

Should we expect most habitable planets to share the Earth's marbled appearance? For a planetary surface to boast extensive areas of both land and water, a delicate balance must be struck between the volume of water it retains and the capacity of its perturbations. These two quantities may show substantial variability across the full spectrum of water-bearing worlds. This would suggest that, barring strong feedback effects, most surfaces are heavily dominated by either water or land. Why is the Earth so finely poised? To address this question, we construct a simple model for the selection bias that would arise within an ensemble of surface conditions. Based on the Earth's ocean coverage of 71 per cent, we find substantial evidence (Bayes factor K ≃ 6) supporting the hypothesis that anthropic selection effects are at work. Furthermore, due to the Earth's proximity to the waterworld limit, this model predicts that most habitable planets are dominated by oceans spanning over 90 per cent of their surface area (95 per cent credible interval). This scenario, in which the Earth has a much greater land area than most habitable planets, is consistent with results from numerical simulations and could help explain the apparently low-mass transition in the mass-radius relation.

Microscale patterning of thermoplastic polymer surfaces by selective solvent swelling.

PubMed

Rahmanian, Omid; Chen, Chien-Fu; DeVoe, Don L

2012-09-04

A new method for the fabrication of microscale features in thermoplastic substrates is presented. Unlike traditional thermoplastic microfabrication techniques, in which bulk polymer is displaced from the substrate by machining or embossing, a unique process termed orogenic microfabrication has been developed in which selected regions of a thermoplastic surface are raised from the substrate by an irreversible solvent swelling mechanism. The orogenic technique allows thermoplastic surfaces to be patterned using a variety of masking methods, resulting in three-dimensional features that would be difficult to achieve through traditional microfabrication methods. Using cyclic olefin copolymer as a model thermoplastic material, several variations of this process are described to realize growth heights ranging from several nanometers to tens of micrometers, with patterning techniques include direct photoresist masking, patterned UV/ozone surface passivation, elastomeric stamping, and noncontact spotting. Orogenic microfabrication is also demonstrated by direct inkjet printing as a facile photolithography-free masking method for rapid desktop thermoplastic microfabrication.

Results of a study on polarization mix selection for the NSCAT scatterometer

NASA Technical Reports Server (NTRS)

Long, David G.; Dunbar, R. Scott; Shaffer, Scott; Freilich, Michael H.; Hsiao, S. Vincent

1989-01-01

The NASA scatterometer (NSCAT) is an instrument designed to measure the radar backscatter of the ocean's surface for estimating the near-surface wind velocity. A given resolution element is observed from several different azimuth angles. From these measurements the near-surface vector wind over the ocean may be inferred using a geophysical model function relating the normalized radar backscatter coefficient (sigma0) to the near-surface wind. The results of a study to select a polarization mix for NSCAT using an end-to-end simulation of the NSCAT scatterometer and ground processing of the sigma0 measurements into unambiguous wind fields using a median-filter-based ambiguity-removal algorithm are presented. The system simulation was used to compare the wind measurement accuracy and ambiguity removal skill over a set of realistic mesoscale wind fields for various polarization mixes. Considerations in the analysis and simulation are discussed, and a recommended polarization mix is given.

Boronate affinity-based surface molecularly imprinted polymers using glucose as fragment template for excellent recognition of glucosides.

PubMed

Peng, Mijun; Xiang, Haiyan; Hu, Xin; Shi, Shuyun; Chen, Xiaoqing

2016-11-25

Rapid and efficient extraction of bioactive glycosides from complex natural origins poses a difficult challenge, and then is often inherent bottleneck for their highly utilization. Herein, we propose a strategy to fabricate boronate affinity based surface molecularly imprinted polymers (MIPs) for excellent recognition of glucosides. d-glucose was used as fragment template. Boronic acid, dynamic covalent binding with d-glucose under different pH conditions, was selected as functional monomer to improve specificity. Fe 3 O 4 solid core for surface imprinting using tetraethyl orthosilicate (TEOS) as crosslinker could control imprinted shell thickness for favorable adsorption capacity and satisfactory mass transfer rate, improve hydrophilicity, separate easily by a magnet. Model adsorption studies showed that the resulting MIPs show specific recognition of glucosides. The equilibrium data fitted well to Langmuir equation and the adsorption process could be described by pseudo-second order model. Furthermore, the MIPs were successfully applied for selective extraction of three flavonoid glucosides (daidzin, glycitin, and genistin) from soybean. Results indicated that selective extraction of glucosides from complex aqueous media based on the prepared MIPs is simple, rapid, efficient and specific. Moreover, this method opens up a universal route for imprinting saccharide with cis-diol group for glycosides recognition. Copyright © 2016 Elsevier B.V. All rights reserved.

Decoration of silicon nanostructures with copper particles for simultaneous selective capture and mass spectrometry detection of His-tagged model peptide.

PubMed

Coffinier, Yannick; Kurylo, Ievgen; Drobecq, Hervé; Szunerits, Sabine; Melnyk, Oleg; Zaitsev, Vladimir N; Boukherroub, Rabah

2014-10-21

We present in this work a simple and fast preparation method of a new affinity surface-assisted laser/desorption ionization mass spectrometry (SALDI-MS) substrate based on silicon nanostructures decorated with copper particles. The silicon nanostructures were fabricated by the metal-assisted chemical etching (MACE) method. Then, superhydrophilic areas surrounded by superhydrophobic regions were formed through hydrosilylation reaction of 1-octadecene, followed by local degradation of the octadecyl layer. After that, copper particles were deposited in the hydrophilic areas by using the electroless method. We have demonstrated that these surfaces were able to perform high selective capture of model His-tag peptide even in a complex mixture such as serum solution. Then, the captured peptide was detected by mass spectrometry at a femtomolar level without the need of organic matrix.

Dust evolution, a global view I. Nanoparticles, nascence, nitrogen and natural selection … joining the dots

NASA Astrophysics Data System (ADS)

Jones, A. P.

2016-12-01

The role and importance of nanoparticles for interstellar chemistry and beyond is explored within the framework of The Heterogeneous dust Evolution Model for Interstellar Solids (THEMIS), focusing on their active surface chemistry, the effects of nitrogen doping and the natural selection of interesting nanoparticle sub-structures. Nanoparticle-driven chemistry, and in particular the role of intrinsic epoxide-type structures, could provide a viable route to the observed gas phase OH in tenuous interstellar clouds en route to becoming molecular clouds. The aromatic-rich moieties present in asphaltenes probably provide a viable model for the structures present within aromatic-rich interstellar carbonaceous grains. The observed doping of such nanoparticle structures with nitrogen, if also prevalent in interstellar dust, could perhaps have important and observable consequences for surface chemistry and the formation of precursor pre-biotic species.

Modeling electrokinetics in ionic liquids: General

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

Wang, Chao; Bao, Jie; Pan, Wenxiao

2017-04-07

Using direct numerical simulations we provide a thorough study on the electrokinetics of ionic liquids. In particular, the modfied Poisson-Nernst-Planck (MPNP) equations are solved to capture the crowding and overscreening effects that are the characteristics of an ionic liquid. For modeling electrokinetic flows in an ionic liquid, the MPNP equations are coupled with the Navier-Stokes equations to study the coupling of ion transport, hydrodynamics, and electrostatic forces. Specifically, we consider the ion transport between two parallel plates, charging dynamics in a 2D straight-walled pore, electro-osmotic ow in a nano-channel, electroconvective instability on a plane ion-selective surface, and electroconvective ow onmore » a curved ion-selective surface. We discuss how the crowding and overscreening effects and their interplay affect the electrokinetic behaviors of ionic liquids in these application problems.« less

Novel high-resolution computed tomography-based radiomic classifier for screen-identified pulmonary nodules in the National Lung Screening Trial.

PubMed

Peikert, Tobias; Duan, Fenghai; Rajagopalan, Srinivasan; Karwoski, Ronald A; Clay, Ryan; Robb, Richard A; Qin, Ziling; Sicks, JoRean; Bartholmai, Brian J; Maldonado, Fabien

2018-01-01

Optimization of the clinical management of screen-detected lung nodules is needed to avoid unnecessary diagnostic interventions. Herein we demonstrate the potential value of a novel radiomics-based approach for the classification of screen-detected indeterminate nodules. Independent quantitative variables assessing various radiologic nodule features such as sphericity, flatness, elongation, spiculation, lobulation and curvature were developed from the NLST dataset using 726 indeterminate nodules (all ≥ 7 mm, benign, n = 318 and malignant, n = 408). Multivariate analysis was performed using least absolute shrinkage and selection operator (LASSO) method for variable selection and regularization in order to enhance the prediction accuracy and interpretability of the multivariate model. The bootstrapping method was then applied for the internal validation and the optimism-corrected AUC was reported for the final model. Eight of the originally considered 57 quantitative radiologic features were selected by LASSO multivariate modeling. These 8 features include variables capturing Location: vertical location (Offset carina centroid z), Size: volume estimate (Minimum enclosing brick), Shape: flatness, Density: texture analysis (Score Indicative of Lesion/Lung Aggression/Abnormality (SILA) texture), and surface characteristics: surface complexity (Maximum shape index and Average shape index), and estimates of surface curvature (Average positive mean curvature and Minimum mean curvature), all with P<0.01. The optimism-corrected AUC for these 8 features is 0.939. Our novel radiomic LDCT-based approach for indeterminate screen-detected nodule characterization appears extremely promising however independent external validation is needed.

Evaluating the Assumptions of Surface Reflectance and Aerosol Type Selection Within the MODIS Aerosol Retrieval Over Land: The Problem of Dust Type Selection

NASA Technical Reports Server (NTRS)

Mielonen, T.; Levy, R. C.; Aaltonen, V.; Komppula, M.; de Leeuw, G.; Huttunen, J.; Lihavainen, H.; Kolmonen, P.; Lehtinen, K. E. J.; Arola, A.

2011-01-01

Aerosol Optical Depth (AOD) and Angstrom exponent (AE) values derived with the MODIS retrieval algorithm over land (Collection 5) are compared with ground based sun photometer measurements at eleven sites spanning the globe. Although, in general, total AOD compares well at these sites (R2 values generally over 0.8), there are cases (from 2 to 67% of the measurements depending on the site) where MODIS clearly retrieves the wrong spectral dependence, and hence, an unrealistic AE value. Some of these poor AE retrievals are due to the aerosol signal being too small (total AOD<0.3) but in other cases the AOD should have been high enough to derive accurate AE. However, in these cases, MODIS indicates AE values close to 0.6 and zero fine model weighting (FMW), i.e. dust model provides the best fitting to the MODIS observed reflectance. Yet, according to evidence from the collocated sun photometer measurements and back-trajectory analyses, there should be no dust present. This indicates that the assumptions about aerosol model and surface properties made by the MODIS algorithm may have been incorrect. Here we focus on problems related to parameterization of the land-surface optical properties in the algorithm, in particular the relationship between the surface reflectance at 660 and 2130 nm.

Modeling Aircraft Wing Loads from Flight Data Using Neural Networks

NASA Technical Reports Server (NTRS)

Allen, Michael J.; Dibley, Ryan P.

2003-01-01

Neural networks were used to model wing bending-moment loads, torsion loads, and control surface hinge-moments of the Active Aeroelastic Wing (AAW) aircraft. Accurate loads models are required for the development of control laws designed to increase roll performance through wing twist while not exceeding load limits. Inputs to the model include aircraft rates, accelerations, and control surface positions. Neural networks were chosen to model aircraft loads because they can account for uncharacterized nonlinear effects while retaining the capability to generalize. The accuracy of the neural network models was improved by first developing linear loads models to use as starting points for network training. Neural networks were then trained with flight data for rolls, loaded reversals, wind-up-turns, and individual control surface doublets for load excitation. Generalization was improved by using gain weighting and early stopping. Results are presented for neural network loads models of four wing loads and four control surface hinge moments at Mach 0.90 and an altitude of 15,000 ft. An average model prediction error reduction of 18.6 percent was calculated for the neural network models when compared to the linear models. This paper documents the input data conditioning, input parameter selection, structure, training, and validation of the neural network models.

Specific adsorption of cadmium on surface-engineered biocompatible organoclay under metal-phenanthrene mixed-contamination.

PubMed

Biswas, Bhabananda; Sarkar, Binoy; Mandal, Asit; Naidu, Ravi

2016-11-01

Bioremediation of polycyclic aromatic hydrocarbons (PAHs) is extremely challenging when they coexist with heavy metals. This constrain has led to adsorption-based techniques that help immobilize the metals and reduce toxicity. However, the adsorbents can also non-selectively bind the organic compounds, which reduces their bioavailability. In this study we developed a surface-engineered organoclay (Arquad ® 2HT-75-bentonite-palmitic acid) which enhanced bacterial proliferation and adsorbed cadmium, but elevated phenanthrene bioavailability. Adsorption models of single and binary solutes revealed that the raw bentonite adsorbed cadmium and phenanthrene non-selectively at the same binding sites and sequestrated phenanthrene. In contrast, cadmium selectively bound to the deprotonated state of carboxyl groups in the organoclay and phenanthrene on the outer surface of the adsorbent led to a microbially congenial microenvironment with a higher phenanthrene bioavailability. This study provided valuable information which would be highly important for developing a novel clay-modulated bioremediation technology for cleaning up PAHs under mixed-contaminated situations. Copyright © 2016 Elsevier Ltd. All rights reserved.

Performance Analysis of Transposition Models Simulating Solar Radiation on Inclined Surfaces

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

Xie, Yu; Sengupta, Manajit

2016-06-02

Transposition models have been widely used in the solar energy industry to simulate solar radiation on inclined photovoltaic panels. Following numerous studies comparing the performance of transposition models, this work aims to understand the quantitative uncertainty in state-of-the-art transposition models and the sources leading to the uncertainty. Our results show significant differences between two highly used isotropic transposition models, with one substantially underestimating the diffuse plane-of-array irradiances when diffuse radiation is perfectly isotropic. In the empirical transposition models, the selection of the empirical coefficients and land surface albedo can both result in uncertainty in the output. This study can bemore » used as a guide for the future development of physics-based transposition models and evaluations of system performance.« less

Definition of NASTRAN sets by use of parametric geometry

NASA Technical Reports Server (NTRS)

Baughn, Terry V.; Tiv, Mehran

1989-01-01

Many finite element preprocessors describe finite element model geometry with points, lines, surfaces and volumes. One method for describing these basic geometric entities is by use of parametric cubics which are useful for representing complex shapes. The lines, surfaces and volumes may be discretized for follow on finite element analysis. The ability to limit or selectively recover results from the finite element model is extremely important to the analyst. Equally important is the ability to easily apply boundary conditions. Although graphical preprocessors have made these tasks easier, model complexity may not lend itself to easily identify a group of grid points desired for data recovery or application of constraints. A methodology is presented which makes use of the assignment of grid point locations in parametric coordinates. The parametric coordinates provide a convenient ordering of the grid point locations and a method for retrieving the grid point ID's from the parent geometry. The selected grid points may then be used for the generation of the appropriate set and constraint cards.

Exploring a potential energy surface by machine learning for characterizing atomic transport

NASA Astrophysics Data System (ADS)

Kanamori, Kenta; Toyoura, Kazuaki; Honda, Junya; Hattori, Kazuki; Seko, Atsuto; Karasuyama, Masayuki; Shitara, Kazuki; Shiga, Motoki; Kuwabara, Akihide; Takeuchi, Ichiro

2018-03-01

We propose a machine-learning method for evaluating the potential barrier governing atomic transport based on the preferential selection of dominant points for atomic transport. The proposed method generates numerous random samples of the entire potential energy surface (PES) from a probabilistic Gaussian process model of the PES, which enables defining the likelihood of the dominant points. The robustness and efficiency of the method are demonstrated on a dozen model cases for proton diffusion in oxides, in comparison with a conventional nudge elastic band method.

A Key Major Guideline for Engineering Bioactive Multicomponent Nanofunctionalization for Biomedicine and Other Applications: Fundamental Models Confirmed by Both Direct and Indirect Evidence

PubMed Central

Scherrieble, Andreas; Bahrizadeh, Shiva; Avareh Sadrabadi, Fatemeh; Hedayat, Laleh

2017-01-01

This paper deals with the engineering multicomponent nanofunctionalization process considering fundamental physicochemical features of nanostructures such as surface energy, chemical bonds, and electrostatic interactions. It is pursued by modeling the surface nanopatterning and evaluating the proposed technique and the models. To this end, the effects of surface modifications of nanoclay on surface interactions, orientations, and final features of TiO2/Mt nanocolloidal textiles functionalization have been investigated. Various properties of cross-linkable polysiloxanes (XPs) treated samples as well as untreated samples with XPs have been compared to one another. The complete series of samples have been examined in terms of bioactivity and some physical properties, given to provide indirect evidence on the surface nanopatterning. The results disclosed a key role of the selected factors on the final features of treated surfaces. The effects have been thoroughly explained and modeled according to the fundamental physicochemical features. The developed models and associated hypotheses interestingly demonstrated a full agreement with all measured properties and were appreciably confirmed by FESEM evidence (direct evidence). Accordingly, a guideline has been developed to facilitate engineering and optimizing the pre-, main, and post-multicomponent nanofunctionalization procedures in terms of fundamental features of nanostructures and substrates for biomedical applications and other approaches. PMID:29333437

Formylbenzene diazonium hexafluorophosphate reagent for tyrosine-selective modification of proteins and the introduction of a bioorthogonal aldehyde

PubMed Central

Gavrilyuk, Julia; Ban, Hitoshi; Nagano, Masanobu; Hakamata, Wataru; Barbas, Carlos F.

2012-01-01

4-Formylbenzene diazonium hexafluorophosphate (FBDP) is a novel bench-stable crystalline diazonium salt that reacts selectively with tyrosine to install a bioorthogonal aldehyde functionality. Model studies with N-acyl-tyrosine methylamide allowed us to identify conditions optimal for tyrosine ligation reactions with small peptides and proteins. FBDP-based conjugation was used for the facile introduction of small molecule tags, poly(ethylene) glycol chains (PEGylation), and functional small molecules onto model proteins and to label the surface of living cells. PMID:23181702

Formylbenzene diazonium hexafluorophosphate reagent for tyrosine-selective modification of proteins and the introduction of a bioorthogonal aldehyde.

PubMed

Gavrilyuk, Julia; Ban, Hitoshi; Nagano, Masanobu; Hakamata, Wataru; Barbas, Carlos F

2012-12-19

4-Formylbenzene diazonium hexafluorophosphate (FBDP) is a novel bench-stable crystalline diazonium salt that reacts selectively with tyrosine to install a bioorthogonal aldehyde functionality. Model studies with N-acyl-tyrosine methylamide allowed us to identify conditions optimal for tyrosine ligation reactions with small peptides and proteins. FBDP-based conjugation was used for the facile introduction of small molecule tags, poly(ethylene glycol) chains (PEGylation), and functional small molecules onto model proteins and to label the surface of living cells.

Origin of the Energy Barrier to Chemical Reactions of O2 on Al(111): Evidence for Charge Transfer, Not Spin Selection

DTIC Science & Technology

2012-11-08

change of O2 spin, at the barrier [Fig. 3]; i.e., the corresponding diabatic surfaces cross. Far from the Al surface, the triplet state is...previous theoretical models, in particular nonadiabatic [17] or diabatic [16] approaches, which also find an energy barrier consistent with experiment...crossings of different diabatic O2 spin configuration sur- faces are accommodated by small spin fluctuations within the metal surface. For parallel

On the theory of compliant wall drag reduction in turbulent boundary layers

NASA Technical Reports Server (NTRS)

Ash, R. L.

1974-01-01

A theoretical model has been developed which can explain how the motion of a compliant wall reduces turbulent skin friction drag. Available experimental evidence at low speeds has been used to infer that a compliant surface selectively removes energy from the upper frequency range of the energy containing eddies and through resulting surface motions can produce locally negative Reynolds stresses at the wall. The theory establishes a preliminary amplitude and frequency criterion as the basis for designing effective drag reducing compliant surfaces.

North American Meso Model Forecast Meteograms

Science.gov Websites

BUFR unpacking is also available. New RUC FORECAST METEOGRAMS are now available. Forecasts of surface variables and vertical profiles of cloud and wind are available for over 1300 stations within the North American Meso model domain. A complete list of the available stations can be found here . Select a region

NCO Systems Integration

Science.gov Websites

: AWC CPC EMC NCO NHC OPC SPC SWPC WPC Search by city or zip code. Press enter or select the go button to submit request Local forecast by "City, St" City, St Go Search NCEP Go NCEP Quarterly Surface Analysis Product Loops Environmental Models Product Info Current Status Model Analyses &

NCEP Decoder Web Site

Science.gov Websites

: AWC CPC EMC NCO NHC OPC SPC SWPC WPC Search by city or zip code. Press enter or select the go button to submit request Local forecast by "City, St" City, St Go Search NCEP Go NCEP Quarterly Surface Analysis Product Loops Environmental Models Product Info Current Status Model Analyses &

NCO Mail Webmaster

Science.gov Websites

: AWC CPC EMC NCO NHC OPC SPC SWPC WPC Search by city or zip code. Press enter or select the go button to submit request Local forecast by "City, St" City, St Go Search NCEP Go NCEP Quarterly Surface Analysis Product Loops Environmental Models Product Info Current Status Model Analyses &

Prediction of octanol-water partition coefficients of organic compounds by multiple linear regression, partial least squares, and artificial neural network.

PubMed

Golmohammadi, Hassan

2009-11-30

A quantitative structure-property relationship (QSPR) study was performed to develop models those relate the structure of 141 organic compounds to their octanol-water partition coefficients (log P(o/w)). A genetic algorithm was applied as a variable selection tool. Modeling of log P(o/w) of these compounds as a function of theoretically derived descriptors was established by multiple linear regression (MLR), partial least squares (PLS), and artificial neural network (ANN). The best selected descriptors that appear in the models are: atomic charge weighted partial positively charged surface area (PPSA-3), fractional atomic charge weighted partial positive surface area (FPSA-3), minimum atomic partial charge (Qmin), molecular volume (MV), total dipole moment of molecule (mu), maximum antibonding contribution of a molecule orbital in the molecule (MAC), and maximum free valency of a C atom in the molecule (MFV). The result obtained showed the ability of developed artificial neural network to prediction of partition coefficients of organic compounds. Also, the results revealed the superiority of ANN over the MLR and PLS models. Copyright 2009 Wiley Periodicals, Inc.

Selection of a model of Earth's albedo radiation, practical calculation of its effect on the trajectory of a satellite

NASA Technical Reports Server (NTRS)

Walch, J. J.

1985-01-01

Theoretical models of Earth's albedo radiation was proposed. By comparing disturbing accelerations computed from a model to those measured in flight with the CACTUS Accelerometer, modified according to the results. Computation of the satellite orbit perturbations from a model is very long because for each position of this satellite the fluxes coming from each elementary surface of the terrestrial portion visible from the satellite must be summed. The speed of computation is increased ten times without significant loss of accuracy thanks to a stocking of some intermediate results. Now it is possible to confront the orbit perturbations computed from the selected model with the measurements of these perturbations found with satellite as LAGEOS.

Two-dimensional CFD modeling of the heat and mass transfer process during sewage sludge drying in a solar dryer

NASA Astrophysics Data System (ADS)

Krawczyk, Piotr; Badyda, Krzysztof

2011-12-01

The paper presents key assumptions of the mathematical model which describes heat and mass transfer phenomena in a solar sewage drying process, as well as techniques used for solving this model with the Fluent computational fluid dynamics (CFD) software. Special attention was paid to implementation of boundary conditions on the sludge surface, which is a physical boundary between the gaseous phase - air, and solid phase - dried matter. Those conditions allow to model heat and mass transfer between the media during first and second drying stages. Selection of the computational geometry is also discussed - it is a fragment of the entire drying facility. Selected modelling results are presented in the final part of the paper.

Stellar Populations in Elliptical Galaxies

NASA Astrophysics Data System (ADS)

Angeletti, Lucio; Giannone, Pietro

The R1/n law for the radial surface brightness of elliptical galaxies and the "Best Accretion Model" together with the "Concentration Model" have been combined in order to determine the mass and dynamical structure of largely-populated star systems. Families of models depending on four parameters have been used to fit the observed surface radial profiles of some spectro-photometric indices of a sample of eleven galaxies. We present the best agreements of the spectral index Mg2 with observations for three selected galaxies representative of the full sample. For them we have also computed the spatial distributions of the metal abundances, which are essential to achieve a population synthesis.

Modeling Martian Dust Using Mars-GRAM

NASA Technical Reports Server (NTRS)

Justh, Hilary L.; Justus, C. G.

2010-01-01

Engineering-level atmospheric model widely used for diverse mission applications. Mars-GRAM s perturbation modeling capability is commonly used, in a Monte-Carlo mode, to perform high fidelity engineering end-to-end simulations for entry, descent, and landing (EDL). From the surface to 80 km altitude, Mars-GRAM is based on NASA Ames Mars General Circulation Model (MGCM). Mars-GRAM and MGCM use surface topography from Mars Global Surveyor Mars Orbiter Laser Altimeter (MOLA), with altitudes referenced to the MOLA areoid, or constant potential surface. Traditional Mars-GRAM options for representing the mean atmosphere along entry corridors include: TES Mapping Years 1 and 2, with Mars-GRAM data coming from MGCM model results driven by observed TES dust optical depth TES Mapping Year 0, with user-controlled dust optical depth and Mars-GRAM data interpolated from MGCM model results driven by selected values of globally-uniform dust optical depth. Mars-GRAM 2005 has been validated against Radio Science data, and both nadir and limb data from the Thermal Emission Spectrometer (TES).

Development of the 15 meter diameter hoop column antenna

NASA Technical Reports Server (NTRS)

1986-01-01

The building of a deployable 15-meter engineering model of the 100 meter antenna based on the point-design of an earlier task of this contract, complete with an RF-capable surface is described. The 15 meter diameter was selected so that the model could be tested in existing manufacturing, near-field RF, thermal vacuum, and structural dynamics facilities. The antenna was designed with four offset paraboloidal reflector surfaces with a focal length of 366.85 in and a primary surface accuracy goal of .069 in rms. Surface adjustment capability was provided by manually resetting the length of 96 surface control cords which emanated from the lower column extremity. A detailed description of the 15-meter Hoop/Column Antenna, major subassemblies, and a history of its fabrication, assembly, deployment testing, and verification measurements are given. The deviation for one aperture surface (except the outboard extremity) was measured after adjustments in follow-on tests at the Martin Marietta Near-field Facility to be .061 in; thus the primary surface goal was achieved.

Coarsening of protein clusters on subcellular drops exhibits strong and sudden size selectivity

NASA Astrophysics Data System (ADS)

Brown, Aidan; Rutenberg, Andrew

2015-03-01

Autophagy is an important process for the degradation of cellular components, with receptor proteins targeting substrates to downstream autophagy machinery. An important question is how receptor protein interactions lead to their selective accumulation on autophagy substrates. Receptor proteins have recently been observed in clusters, raising the possibility that clustering could affect autophagy selectivity. We investigate the clustering dynamics of the autophagy receptor protein NBR1. In addition to standard receptor protein domains, NBR1 has a ``J'' domain that anchors it to membranes, and a coiled-coil domain that enhances self-interaction. We model coarsening clusters of NBR1 on the surfaces of a polydisperse collection of drops, representing organelles. Despite the disconnected nature of the drop surfaces, we recover dynamical scaling of cluster sizes. Significantly, we find that at a well-defined time after coarsening begins, clusters evaporate from smaller drops and grow on larger drops. Thus, coarsening-driven size selection will localize protein clusters to larger substrates, leaving smaller substrates without clusters. This provides a possible physical mechanism for autophagy selectivity, and can explain reports of size selection during peroxisome degradation.

The effect of geometrical presentation of multimodal cation-exchange ligands on selective recognition of hydrophobic regions on protein surfaces.

PubMed

Woo, James; Parimal, Siddharth; Brown, Matthew R; Heden, Ryan; Cramer, Steven M

2015-09-18

The effects of spatial organization of hydrophobic and charged moieties on multimodal (MM) cation-exchange ligands were examined by studying protein retention behavior on two commercial chromatographic media, Capto™ MMC and Nuvia™ cPrime™. Proteins with extended regions of surface-exposed aliphatic residues were found to have enhanced retention on the Capto MMC system as compared to the Nuvia cPrime resin. The results further indicated that while the Nuvia cPrime ligand had a strong preference for interactions with aromatic groups, the Capto MMC ligand appeared to interact with both aliphatic and aromatic clusters on the protein surfaces. These observations were formalized into a new set of protein surface property descriptors, which quantified the local distribution of electrostatic and hydrophobic potentials as well as distinguishing between aromatic and aliphatic properties. Using these descriptors, high-performing quantitative structure-activity relationship (QSAR) models (R(2)>0.88) were generated for both the Capto MMC and Nuvia cPrime datasets at pH 5 and pH 6. Descriptors of electrostatic properties were generally common across the four models; however both Capto MMC models included descriptors that quantified regions of aliphatic-based hydrophobicity in addition to aromatic descriptors. Retention was generally reduced by lowering the ligand densities on both MM resins. Notably, elution order was largely unaffected by the change in surface density, but smaller and more aliphatic proteins tended to be more affected by this drop in ligand density. This suggests that modulating the exposure, shape and density of the hydrophobic moieties in multimodal chromatographic systems can alter the preference for surface exposed aliphatic or aromatic residues, thus providing an additional dimension for modulating the selectivity of MM protein separation systems. Copyright © 2015 Elsevier B.V. All rights reserved.

Predicting infant cortical surface development using a 4D varifold-based learning framework and local topography-based shape morphing.

PubMed

Rekik, Islem; Li, Gang; Lin, Weili; Shen, Dinggang

2016-02-01

Longitudinal neuroimaging analysis methods have remarkably advanced our understanding of early postnatal brain development. However, learning predictive models to trace forth the evolution trajectories of both normal and abnormal cortical shapes remains broadly absent. To fill this critical gap, we pioneered the first prediction model for longitudinal developing cortical surfaces in infants using a spatiotemporal current-based learning framework solely from the baseline cortical surface. In this paper, we detail this prediction model and even further improve its performance by introducing two key variants. First, we use the varifold metric to overcome the limitations of the current metric for surface registration that was used in our preliminary study. We also extend the conventional varifold-based surface registration model for pairwise registration to a spatiotemporal surface regression model. Second, we propose a morphing process of the baseline surface using its topographic attributes such as normal direction and principal curvature sign. Specifically, our method learns from longitudinal data both the geometric (vertices positions) and dynamic (temporal evolution trajectories) features of the infant cortical surface, comprising a training stage and a prediction stage. In the training stage, we use the proposed varifold-based shape regression model to estimate geodesic cortical shape evolution trajectories for each training subject. We then build an empirical mean spatiotemporal surface atlas. In the prediction stage, given an infant, we select the best learnt features from training subjects to simultaneously predict the cortical surface shapes at all later timepoints, based on similarity metrics between this baseline surface and the learnt baseline population average surface atlas. We used a leave-one-out cross validation method to predict the inner cortical surface shape at 3, 6, 9 and 12 months of age from the baseline cortical surface shape at birth. Our method attained a higher prediction accuracy and better captured the spatiotemporal dynamic change of the highly folded cortical surface than the previous proposed prediction method. Copyright © 2015 Elsevier B.V. All rights reserved.

A model of autophagy size selectivity by receptor clustering on peroxisomes

NASA Astrophysics Data System (ADS)

Brown, Aidan I.; Rutenberg, Andrew D.

2017-05-01

Selective autophagy must not only select the correct type of organelle, but also must discriminate between individual organelles of the same kind so that some but not all of the organelles are removed. We propose that physical clustering of autophagy receptor proteins on the organelle surface can provide an appropriate all-or-none signal for organelle degradation. We explore this proposal using a computational model restricted to peroxisomes and the relatively well characterized pexophagy receptor proteins NBR1 and p62. We find that larger peroxisomes nucleate NBR1 clusters first and lose them last through competitive coarsening. This results in significant size-selectivity that favors large peroxisomes, and can explain the increased catalase signal that results from siRNA inhibition of p62. Excess ubiquitin, resulting from damaged organelles, suppresses size-selectivity but not cluster formation. Our proposed selectivity mechanism thus allows all damaged organelles to be degraded, while otherwise selecting only a portion of organelles for degradation.

Thermal behavior in single track during selective laser melting of AlSi10Mg powder

NASA Astrophysics Data System (ADS)

Wei, Pei; Wei, Zhengying; Chen, Zhen; He, Yuyang; Du, Jun

2017-09-01

A three-dimensional model was developed to simulate the radiation heat transfer in the AlSi10Mg packed bed. The volume of fluid method (VOF) was used to capture the free surface during selective laser melting (SLM). A randomly packed powder bed was obtained using discrete element method (DEM) in Particle Flow Code (PFC). The proposed model has demonstrated a high potential to simulate the selective laser melting process (SLM) with high accuracy. In this paper, the effect of the laser scanning speed and laser power on the thermodynamic behavior of the molten pool was investigated numerically. The results show that the temperature gradient and the resultant surface tension gradient between the center and the edge of the molten pool increase with decreasing the scanning speed or increasing the laser power, thereby intensifying the Marangoni flow and attendant turbulence within the molten pool. However, at a relatively high scanning speed, a significant instability may be generated in the molten pool. The perturbation and instability in the molten pool during SLM may result in an irregular shaped track.

Aeroheating model advancements featuring electroless metallic plating

NASA Technical Reports Server (NTRS)

Stalmach, C. J., Jr.; Goodrich, W. D.

1976-01-01

Discussed are advancements in wind tunnel model construction methods and hypersonic test data demonstrating the methods. The general objective was to develop model fabrication methods for improved heat transfer measuring capability at less model cost. A plated slab model approach was evaluated with cast models containing constantan wires that formed single-wire-to-plate surface thermocouple junctions with a seamless skin of electroless nickel alloy. The surface of a space shuttle orbiter model was selectively plated with scaled tiles to simulate, with high fidelity, the probable misalignments of the heatshield tiles on a flight vehicle. Initial, Mach 8 heating results indicated a minor effect of tile misalignment roughness on boundary layer transition, implying a possible relaxation of heatshield manufacturing tolerances. Some loss of the plated tiles was experienced when the model was tested at high heating rates.

Dual-band frequency selective surface with large band separation and stable performance

NASA Astrophysics Data System (ADS)

Zhou, Hang; Qu, Shao-Bo; Peng, Wei-Dong; Lin, Bao-Qin; Wang, Jia-Fu; Ma, Hua; Zhang, Jie-Qiu; Bai, Peng; Wang, Xu-Hua; Xu, Zhuo

2012-05-01

A new technique of designing a dual-band frequency selective surface with large band separation is presented. This technique is based on a delicately designed topology of L- and Ku-band microwave filters. The two band-pass responses are generated by a capacitively-loaded square-loop frequency selective surface and an aperture-coupled frequency selective surface, respectively. A Faraday cage is located between the two frequency selective surface structures to eliminate undesired couplings. Based on this technique, a dual-band frequency selective surface with large band separation is designed, which possesses large band separation, high selectivity, and stable performance under various incident angles and different polarizations.

Point Cloud and Digital Surface Model Generation from High Resolution Multiple View Stereo Satellite Imagery

NASA Astrophysics Data System (ADS)

Gong, K.; Fritsch, D.

2018-05-01

Nowadays, multiple-view stereo satellite imagery has become a valuable data source for digital surface model generation and 3D reconstruction. In 2016, a well-organized multiple view stereo publicly benchmark for commercial satellite imagery has been released by the John Hopkins University Applied Physics Laboratory, USA. This benchmark motivates us to explore the method that can generate accurate digital surface models from a large number of high resolution satellite images. In this paper, we propose a pipeline for processing the benchmark data to digital surface models. As a pre-procedure, we filter all the possible image pairs according to the incidence angle and capture date. With the selected image pairs, the relative bias-compensated model is applied for relative orientation. After the epipolar image pairs' generation, dense image matching and triangulation, the 3D point clouds and DSMs are acquired. The DSMs are aligned to a quasi-ground plane by the relative bias-compensated model. We apply the median filter to generate the fused point cloud and DSM. By comparing with the reference LiDAR DSM, the accuracy, the completeness and the robustness are evaluated. The results show, that the point cloud reconstructs the surface with small structures and the fused DSM generated by our pipeline is accurate and robust.

Generation of Multivariate Surface Weather Series with Use of the Stochastic Weather Generator Linked to Regional Climate Model

NASA Astrophysics Data System (ADS)

Dubrovsky, M.; Farda, A.; Huth, R.

2012-12-01

The regional-scale simulations of weather-sensitive processes (e.g. hydrology, agriculture and forestry) for the present and/or future climate often require high resolution meteorological inputs in terms of the time series of selected surface weather characteristics (typically temperature, precipitation, solar radiation, humidity, wind) for a set of stations or on a regular grid. As even the latest Global and Regional Climate Models (GCMs and RCMs) do not provide realistic representation of statistical structure of the surface weather, the model outputs must be postprocessed (downscaled) to achieve the desired statistical structure of the weather data before being used as an input to the follow-up simulation models. One of the downscaling approaches, which is employed also here, is based on a weather generator (WG), which is calibrated using the observed weather series and then modified (in case of simulations for the future climate) according to the GCM- or RCM-based climate change scenarios. The present contribution uses the parametric daily weather generator M&Rfi to follow two aims: (1) Validation of the new simulations of the present climate (1961-1990) made by the ALADIN-Climate/CZ (v.2) Regional Climate Model at 25 km resolution. The WG parameters will be derived from the RCM-simulated surface weather series and compared to those derived from observational data in the Czech meteorological stations. The set of WG parameters will include selected statistics of the surface temperature and precipitation (characteristics of the mean, variability, interdiurnal variability and extremes). (2) Testing a potential of RCM output for calibration of the WG for the ungauged locations. The methodology being examined will consist in using the WG, whose parameters are interpolated from the surrounding stations and then corrected based on a RCM-simulated spatial variability. The quality of the weather series produced by the WG calibrated in this way will be assessed in terms of selected climatic characteristics focusing on extreme precipitation and temperature characteristics (including characteristics of dry/wet/hot/cold spells). Acknowledgements: The present experiment is made within the frame of projects ALARO (project P209/11/2405 sponsored by the Czech Science Foundation), WG4VALUE (project LD12029 sponsored by the Ministry of Education, Youth and Sports) and VALUE (COST ES 1102 action).

Internal Surface Adsorption of Methane in the Microporous and the Mesoporous Montmorillonite Models

NASA Astrophysics Data System (ADS)

Shao, Changjin; Nie, Dakai; Zhai, Zengqiang; Yang, Zhenqing

2018-05-01

Due to the rising worldwide energy demands and the shortage of natural gas resources, the development of shale gas has become the new research focus in the field of novel energy resources. To understand the adsorption mechanism of shale gas in the reservoir, we use grand canonical Monte Carlo (GCMC) method to investigate the internal surface adsorption behavior of methane (main component of shale gas) in microporous and mesoporous montmorillonite materials for changing pressure, temperature and surface spacing. The results show that the adsorption capacity of methane decreases with increasing temperature while increasing as the surface spacing increases. Especially, the adsorption isotherm of the microporous model has a mutation when the surface spacing is about 10 ˚A. According to the trend for the change in the adsorption capacity, the best scheme for the exploitation of shale gas can be selected so that the mining efficiency is greatly improved.

Automation of Endmember Pixel Selection in SEBAL/METRIC Model

NASA Astrophysics Data System (ADS)

Bhattarai, N.; Quackenbush, L. J.; Im, J.; Shaw, S. B.

2015-12-01

The commonly applied surface energy balance for land (SEBAL) and its variant, mapping evapotranspiration (ET) at high resolution with internalized calibration (METRIC) models require manual selection of endmember (i.e. hot and cold) pixels to calibrate sensible heat flux. Current approaches for automating this process are based on statistical methods and do not appear to be robust under varying climate conditions and seasons. In this paper, we introduce a new approach based on simple machine learning tools and search algorithms that provides an automatic and time efficient way of identifying endmember pixels for use in these models. The fully automated models were applied on over 100 cloud-free Landsat images with each image covering several eddy covariance flux sites in Florida and Oklahoma. Observed land surface temperatures at automatically identified hot and cold pixels were within 0.5% of those from pixels manually identified by an experienced operator (coefficient of determination, R2, ≥ 0.92, Nash-Sutcliffe efficiency, NSE, ≥ 0.92, and root mean squared error, RMSE, ≤ 1.67 K). Daily ET estimates derived from the automated SEBAL and METRIC models were in good agreement with their manual counterparts (e.g., NSE ≥ 0.91 and RMSE ≤ 0.35 mm day-1). Automated and manual pixel selection resulted in similar estimates of observed ET across all sites. The proposed approach should reduce time demands for applying SEBAL/METRIC models and allow for their more widespread and frequent use. This automation can also reduce potential bias that could be introduced by an inexperienced operator and extend the domain of the models to new users.

Targeted Proteomics and Absolute Protein Quantification for the Construction of a Stoichiometric Host-Pathogen Surface Density Model*

PubMed Central

Sjöholm, Kristoffer; Kilsgård, Ola; Teleman, Johan; Happonen, Lotta; Malmström, Lars; Malmström, Johan

2017-01-01

Sepsis is a systemic immune response responsible for considerable morbidity and mortality. Molecular modeling of host-pathogen interactions in the disease state represents a promising strategy to define molecular events of importance for the transition from superficial to invasive infectious diseases. Here we used the Gram-positive bacterium Streptococcus pyogenes as a model system to establish a mass spectrometry based workflow for the construction of a stoichiometric surface density model between the S. pyogenes surface, the surface virulence factor M-protein, and adhered human blood plasma proteins. The workflow relies on stable isotope labeled reference peptides and selected reaction monitoring mass spectrometry analysis of a wild-type strain and an M-protein deficient mutant strain, to generate absolutely quantified protein stoichiometry ratios between S. pyogenes and interacting plasma proteins. The stoichiometry ratios in combination with a novel targeted mass spectrometry method to measure cell numbers enabled the construction of a stoichiometric surface density model using protein structures available from the protein data bank. The model outlines the topology and density of the host-pathogen protein interaction network on the S. pyogenes bacterial surface, revealing a dense and highly organized protein interaction network. Removal of the M-protein from S. pyogenes introduces a drastic change in the network topology, validated by electron microscopy. We propose that the stoichiometric surface density model of S. pyogenes in human blood plasma represents a scalable framework that can continuously be refined with the emergence of new results. Future integration of new results will improve the understanding of protein-protein interactions and their importance for bacterial virulence. Furthermore, we anticipate that the general properties of the developed workflow will facilitate the production of stoichiometric surface density models for other types of host-pathogen interactions. PMID:28183813

Surface Reflectometry and Ionosphere Sounding from the Radar for Europa Assessment and Sounding: Ocean to Near-surface (REASON)

NASA Astrophysics Data System (ADS)

Grima, C.; Blankenship, D. D.; Schroeder, D. M.; Moussessian, A.; Soderlund, K. M.; Gim, Y.; Plaut, J. J.; Greenbaum, J. S.; Lopez Garcia, E.; Campbell, B. A.; Putzig, N. E.; Patterson, G.

2015-12-01

The Radar for Europa Assessment and Sounding: Ocean to Near-surface (REASON) has been selected for the scientific payload of a NASA's multiple flyby mission to explore the icy moon Europa. REASON is an active dual-frequency (9/60 MHz) instrument led by the University of Texas Institute for Geophysics (UTIG). It is designed to achieve multi-disciplinary measurements to investigate subsurface waters and the ice shell structure (Sounding), the surface elevation and tides (Altimetry), the surface physical properties (Reflectometry), and the ionospheric environment (Plasma/Particles). We will present the concepts behind the "Reflectometry" and "Plasma/Particles" measurements, demonstrate their efficiency with planetary analogs, and anticipate their capabilities for the exploration of Europa. We will also highlight the potential synergies with other instruments selected for the Europa mission payload.The "Reflectometry" compares the statistical behavior of the surface echo amplitudes with theoretical stochastic models to separate the reflected and scattered contributions to the signal. Once those two components are deduced they are used in a backscattering model to invert surface properties such as roughness, density, and/or impurity load. "Reflectometry" measurements will contribute to the statistical characterization of the surface over ~ 10-km-long areas with a ~ 10 m skin depth for geological investigation, near-surface brine detection, plume-deposited snow characterization, and landing site reconnaissance. The "Plasma/Particles" measurement relies on the dispersive signal delays induced by the ionospheric content integrated along the radio propagation path. Correction of this delay with existing techniques provides the total electron content below the spacecraft. "Plasma/Particles" measurements will constrain the ionosphere's shape and variability along the acquisition track and might detect transient plume-induced ionosphere when active.

A Model for Selection of Eyespots on Butterfly Wings.

PubMed

Sekimura, Toshio; Venkataraman, Chandrasekhar; Madzvamuse, Anotida

2015-01-01

The development of eyespots on the wing surface of butterflies of the family Nympalidae is one of the most studied examples of biological pattern formation.However, little is known about the mechanism that determines the number and precise locations of eyespots on the wing. Eyespots develop around signaling centers, called foci, that are located equidistant from wing veins along the midline of a wing cell (an area bounded by veins). A fundamental question that remains unsolved is, why a certain wing cell develops an eyespot, while other wing cells do not. We illustrate that the key to understanding focus point selection may be in the venation system of the wing disc. Our main hypothesis is that changes in morphogen concentration along the proximal boundary veins of wing cells govern focus point selection. Based on previous studies, we focus on a spatially two-dimensional reaction-diffusion system model posed in the interior of each wing cell that describes the formation of focus points. Using finite element based numerical simulations, we demonstrate that variation in the proximal boundary condition is sufficient to robustly select whether an eyespot focus point forms in otherwise identical wing cells. We also illustrate that this behavior is robust to small perturbations in the parameters and geometry and moderate levels of noise. Hence, we suggest that an anterior-posterior pattern of morphogen concentration along the proximal vein may be the main determinant of the distribution of focus points on the wing surface. In order to complete our model, we propose a two stage reaction-diffusion system model, in which an one-dimensional surface reaction-diffusion system, posed on the proximal vein, generates the morphogen concentrations that act as non-homogeneous Dirichlet (i.e., fixed) boundary conditions for the two-dimensional reaction-diffusion model posed in the wing cells. The two-stage model appears capable of generating focus point distributions observed in nature. We therefore conclude that changes in the proximal boundary conditions are sufficient to explain the empirically observed distribution of eyespot focus points on the entire wing surface. The model predicts, subject to experimental verification, that the source strength of the activator at the proximal boundary should be lower in wing cells in which focus points form than in those that lack focus points. The model suggests that the number and locations of eyespot foci on the wing disc could be largely controlled by two kinds of gradients along two different directions, that is, the first one is the gradient in spatially varying parameters such as the reaction rate along the anterior-posterior direction on the proximal boundary of the wing cells, and the second one is the gradient in source values of the activator along the veins in the proximal-distal direction of the wing cell.

Absolute Molecular Orientation of Isopropanol at Ceria (100) Surfaces: Insight into Catalytic Selectivity from the Interfacial Structure

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

Doughty, Benjamin; Goverapet Srinivasan, Sriram; Bryantsev, Vyacheslav S.

The initial mechanistic steps underlying heterogeneous chemical catalysis can be described in a framework where the composition, structure, and orientation of molecules adsorbed to reactive interfaces are known. However, extracting this vital information is the limiting step in most cases due in part to challenges in probing the interfacial monolayer with enough chemical specificity to characterize the surface molecular constituents. These challenges are exacerbated at complex or spatially heterogeneous interfaces where competing processes and a distribution of local environments can uniquely drive chemistry. To address these limitations, this work presents a distinctive combination of materials synthesis, surface specific optical experiments,more » and theory to probe and understand molecular structure at catalytic interfaces. Specifically, isopropanol was adsorbed to surfaces of the model CeO 2 catalyst that were synthesized with only the (100) facet exposed. Vibrational sum-frequency generation was used to probe the molecular monolayer, and with the guidance of density functional theory calculations, was used to extract the structure and absolute molecular orientation of isopropanol at the CeO 2 (100) surface. Our results show that isopropanol is readily deprotonated at the surface, and through the measured absolute molecular orientation of isopropanol, we obtain new insight into the selectivity of the (100) surface to form propylene. Our findings reveal key insight into the chemical and physical phenomena taking place at pristine interfaces thereby pointing to intuitive structural arguments to describe catalytic selectivity in more complex systems.« less

Absolute Molecular Orientation of Isopropanol at Ceria (100) Surfaces: Insight into Catalytic Selectivity from the Interfacial Structure

DOE PAGES

Doughty, Benjamin; Goverapet Srinivasan, Sriram; Bryantsev, Vyacheslav S.; ...

2017-06-12

The initial mechanistic steps underlying heterogeneous chemical catalysis can be described in a framework where the composition, structure, and orientation of molecules adsorbed to reactive interfaces are known. However, extracting this vital information is the limiting step in most cases due in part to challenges in probing the interfacial monolayer with enough chemical specificity to characterize the surface molecular constituents. These challenges are exacerbated at complex or spatially heterogeneous interfaces where competing processes and a distribution of local environments can uniquely drive chemistry. To address these limitations, this work presents a distinctive combination of materials synthesis, surface specific optical experiments,more » and theory to probe and understand molecular structure at catalytic interfaces. Specifically, isopropanol was adsorbed to surfaces of the model CeO 2 catalyst that were synthesized with only the (100) facet exposed. Vibrational sum-frequency generation was used to probe the molecular monolayer, and with the guidance of density functional theory calculations, was used to extract the structure and absolute molecular orientation of isopropanol at the CeO 2 (100) surface. Our results show that isopropanol is readily deprotonated at the surface, and through the measured absolute molecular orientation of isopropanol, we obtain new insight into the selectivity of the (100) surface to form propylene. Our findings reveal key insight into the chemical and physical phenomena taking place at pristine interfaces thereby pointing to intuitive structural arguments to describe catalytic selectivity in more complex systems.« less

An assessment of gas emanation hazard using a geographic information system and geostatistics.

PubMed

Astorri, F; Beaubien, S E; Ciotoli, G; Lombardi, S

2002-03-01

This paper describes the use of geostatistical analysis and GIS techniques to assess gas emanation hazards. The Mt. Vulsini volcanic district was selected for this study because of the wide range of natural phenomena locally present that affect gas migration in the near surface. In addition, soil gas samples that were collected in this area should allow for a calibration between the generated risk/hazard models and the measured distribution of toxic gas species at surface. The approach used during this study consisted of three general stages. First data were digitally organized into thematic layers, then software functions in the GIS program "ArcView" were used to compare and correlate these various layers, and then finally the produced "potential-risk" map was compared with radon soil gas data in order to validate the model and/or to select zones for further, more-detailed soil gas investigations.

Application of response surface methodology method in designing corrosion inhibitor

NASA Astrophysics Data System (ADS)

Asmara, Y. P.; Athirah; Siregar, J. P.; Kurniawan, T.; Bachtiar, D.

2017-10-01

In oil and gas pipelines and offshore structure, inhibitors have been considered to be the first choice to reduce corrosion rate. There are many corrosion inhibitor compositions available in the market. To produce the best corrosion inhibitor requires many experimental data which is not efficient. These experiments used response surface methodology (RSM) to select corrosion inhibitor compositions. The experiments investigated effects of corrosion inhibition on corrosion rate of low carbon steel in 3% NaCl solution with different concentrations of selected main inhibitor compositions which are ethyl acetate (EA), ethylene glycol (EG) and sodium benzoate (SB). Corrosion rate were calculated using linear polarization resistance (LPR). All of the experiments were set in natural conditions at pH 7. MINITAB® version 15 was used for data analysis. It is shown that a quadratic model is a representative model can predict best corrosion inhibitor composition comprehensibly.

Method And Apparatus For Two Dimensional Surface Property Analysis Based On Boundary Measurement

DOEpatents

Richardson, John G.

2005-11-15

An apparatus and method for determining properties of a conductive film is disclosed. A plurality of probe locations selected around a periphery of the conductive film define a plurality of measurement lines between each probe location and all other probe locations. Electrical resistance may be measured along each of the measurement lines. A lumped parameter model may be developed based on the measured values of electrical resistance. The lumped parameter model may be used to estimate resistivity at one or more selected locations encompassed by the plurality of probe locations. The resistivity may be extrapolated to other physical properties if the conductive film includes a correlation between resistivity and the other physical properties. A profile of the conductive film may be developed by determining resistivity at a plurality of locations. The conductive film may be applied to a structure such that resistivity may be estimated and profiled for the structure's surface.

A novel method of creation capillary structures in metal parts based on using selective laser melting methid of 3D printing technology and surface roughness

NASA Astrophysics Data System (ADS)

Ivanov, Roman A.; Melkikh, Alexey V.

2017-09-01

It has been experimentally proved that it is possible to produce a metal capillary structure with significant capillary action and free shape configuration using selective laser melting. Capillaries are created by dividing the solid detail volume into micro-sized parallel walls with roughness as a result of SLM 3D printing. Experiments are conducted on aluminum powder with particle size in the range of 10-40 µm (,) and distances in 3D model between surfaces incapillary generation zone in the range of 50-200 µm. It is showed that products produced from model with 100 µm gaps have the greatest efficiency of fluid lifting as a result of obtaining stable arrays of capillaries of 20-40 µm in size. Change in the direction of (growing) printingthe product doesn't significantly influence on capillary geometry, but it affects on safety of the structure.

Atmospheric Constraints on Landing Site Selection

NASA Astrophysics Data System (ADS)

Kass, David M.; Schofield, J. T.

2001-01-01

The Martian atmosphere is a significant part of the environment that the Mars Exploration Rovers (MER) will encounter. As such, it imposes important constraints on where the rovers can and cannot land. Unfortunately, as there are no meteorological instruments on the rovers, there is little atmospheric science that can be accomplished, and no scientific preference for landing sites. The atmosphere constrains landing site selection in two main areas, the entry descent and landing (EDL) process and the survivability of the rovers on the surface. EDL is influenced by the density profile and boundary layer winds (up to altitudes of 5 to 10 km). Surface survivability involves atmospheric dust, temperatures and winds. During EDL, the atmosphere is used to slow the lander down, both ballistically and on the parachute. This limits the maximum elevation of the landing site to -1.3 km below the MOLA reference aeroid. The landers need to encounter a sufficiently dense atmosphere to be able to stop, and the deeper the landing site, the more column integrated atmosphere the lander can pass through before reaching the surface. The current limit was determined both by a desire to be able to reach the hematite region and by a set of atmosphere models we developed for EDL simulations. These are based on Thermal Emission Spectrometer (TES) atmospheric profile measurements, Ames Mars General Circulation Model (MGCM) results, and the 1-D Ames GCM radiative/convective model by J. Murphy. The latter is used for the near surface diurnal cycle. The current version of our model encompasses representative latitude bands, but we intend to make specific models for the final candidate landing sites to insure that they fall within the general envelope. The second constraint imposed on potential landing sites through the EDL process is the near surface wind. The wind in the lower approximately 5 km determines the horizontal velocity that the landers have when they land. Due to the mechanics of the landing process, the total velocity (including both the horizontal and vertical components) determines whether or not the landers are successful. Unfortunately, the landing system has no easy way to nullify any horizontal velocity imparted by the wind, so the landing sites selected need to have as little wind as possible. In addition to the mean wind velocity, the landing system is sensitive to vertical wind shear in the lowest kilometer or so. Wind shear can deflect the retro rockets (RADs) from their nominal vertical orientation producing unwanted horizontal spacecraft velocities. Both mean velocity and wind shear are dominated by the the local topography and other surface properties (in particular albedo and thermal inertia which control the surface temperature). This is seen even in simplified 2-D mesoscale models. The effects in a fully 3-D model are expected to he even more topographically dependent. In particular there is potential for wind channeling in canyons and other terrain features. Boundary layer winds and wind shear are currently being modeled based on terrestrial data and boundary layer scaling laws modified for Martian conditions. We hope to supplement this with mesoscale model results (from several sources) once the number of landing sites is reduced to a manageable number.

Prediction of seismic collapse risk of steel moment frame mid-rise structures by meta-heuristic algorithms

NASA Astrophysics Data System (ADS)

Jough, Fooad Karimi Ghaleh; Şensoy, Serhan

2016-12-01

Different performance levels may be obtained for sideway collapse evaluation of steel moment frames depending on the evaluation procedure used to handle uncertainties. In this article, the process of representing modelling uncertainties, record to record (RTR) variations and cognitive uncertainties for moment resisting steel frames of various heights is discussed in detail. RTR uncertainty is used by incremental dynamic analysis (IDA), modelling uncertainties are considered through backbone curves and hysteresis loops of component, and cognitive uncertainty is presented in three levels of material quality. IDA is used to evaluate RTR uncertainty based on strong ground motion records selected by the k-means algorithm, which is favoured over Monte Carlo selection due to its time saving appeal. Analytical equations of the Response Surface Method are obtained through IDA results by the Cuckoo algorithm, which predicts the mean and standard deviation of the collapse fragility curve. The Takagi-Sugeno-Kang model is used to represent material quality based on the response surface coefficients. Finally, collapse fragility curves with the various sources of uncertainties mentioned are derived through a large number of material quality values and meta variables inferred by the Takagi-Sugeno-Kang fuzzy model based on response surface method coefficients. It is concluded that a better risk management strategy in countries where material quality control is weak, is to account for cognitive uncertainties in fragility curves and the mean annual frequency.

Natural selection promotes antigenic evolvability.

PubMed

Graves, Christopher J; Ros, Vera I D; Stevenson, Brian; Sniegowski, Paul D; Brisson, Dustin

2013-01-01

The hypothesis that evolvability - the capacity to evolve by natural selection - is itself the object of natural selection is highly intriguing but remains controversial due in large part to a paucity of direct experimental evidence. The antigenic variation mechanisms of microbial pathogens provide an experimentally tractable system to test whether natural selection has favored mechanisms that increase evolvability. Many antigenic variation systems consist of paralogous unexpressed 'cassettes' that recombine into an expression site to rapidly alter the expressed protein. Importantly, the magnitude of antigenic change is a function of the genetic diversity among the unexpressed cassettes. Thus, evidence that selection favors among-cassette diversity is direct evidence that natural selection promotes antigenic evolvability. We used the Lyme disease bacterium, Borrelia burgdorferi, as a model to test the prediction that natural selection favors amino acid diversity among unexpressed vls cassettes and thereby promotes evolvability in a primary surface antigen, VlsE. The hypothesis that diversity among vls cassettes is favored by natural selection was supported in each B. burgdorferi strain analyzed using both classical (dN/dS ratios) and Bayesian population genetic analyses of genetic sequence data. This hypothesis was also supported by the conservation of highly mutable tandem-repeat structures across B. burgdorferi strains despite a near complete absence of sequence conservation. Diversification among vls cassettes due to natural selection and mutable repeat structures promotes long-term antigenic evolvability of VlsE. These findings provide a direct demonstration that molecular mechanisms that enhance evolvability of surface antigens are an evolutionary adaptation. The molecular evolutionary processes identified here can serve as a model for the evolution of antigenic evolvability in many pathogens which utilize similar strategies to establish chronic infections.

Natural Selection Promotes Antigenic Evolvability

PubMed Central

Graves, Christopher J.; Ros, Vera I. D.; Stevenson, Brian; Sniegowski, Paul D.; Brisson, Dustin

2013-01-01

The hypothesis that evolvability - the capacity to evolve by natural selection - is itself the object of natural selection is highly intriguing but remains controversial due in large part to a paucity of direct experimental evidence. The antigenic variation mechanisms of microbial pathogens provide an experimentally tractable system to test whether natural selection has favored mechanisms that increase evolvability. Many antigenic variation systems consist of paralogous unexpressed ‘cassettes’ that recombine into an expression site to rapidly alter the expressed protein. Importantly, the magnitude of antigenic change is a function of the genetic diversity among the unexpressed cassettes. Thus, evidence that selection favors among-cassette diversity is direct evidence that natural selection promotes antigenic evolvability. We used the Lyme disease bacterium, Borrelia burgdorferi, as a model to test the prediction that natural selection favors amino acid diversity among unexpressed vls cassettes and thereby promotes evolvability in a primary surface antigen, VlsE. The hypothesis that diversity among vls cassettes is favored by natural selection was supported in each B. burgdorferi strain analyzed using both classical (dN/dS ratios) and Bayesian population genetic analyses of genetic sequence data. This hypothesis was also supported by the conservation of highly mutable tandem-repeat structures across B. burgdorferi strains despite a near complete absence of sequence conservation. Diversification among vls cassettes due to natural selection and mutable repeat structures promotes long-term antigenic evolvability of VlsE. These findings provide a direct demonstration that molecular mechanisms that enhance evolvability of surface antigens are an evolutionary adaptation. The molecular evolutionary processes identified here can serve as a model for the evolution of antigenic evolvability in many pathogens which utilize similar strategies to establish chronic infections. PMID:24244173

New horizons in selective laser sintering surface roughness characterization

NASA Astrophysics Data System (ADS)

Vetterli, M.; Schmid, M.; Knapp, W.; Wegener, K.

2017-12-01

Powder-based additive manufacturing of polymers and metals has evolved from a prototyping technology to an industrial process for the fabrication of small to medium series of complex geometry parts. Unfortunately due to the processing of powder as a basis material and the successive addition of layers to produce components, a significant surface roughness inherent to the process has been observed since the first use of such technologies. A novel characterization method based on an elastomeric pad coated with a reflective layer, the Gelsight, was found to be reliable and fast to characterize surfaces processed by selective laser sintering (SLS) of polymers. With help of this method, a qualitative and quantitative investigation of SLS surfaces is feasible. Repeatability and reproducibility investigations are performed for both 2D and 3D areal roughness parameters. Based on the good results, the Gelsight is used for the optimization of vertical SLS surfaces. A model built on laser scanning parameters is proposed and after confirmation could achieve a roughness reduction of 10% based on the S q parameter. The Gelsight could be successfully identified as a fast, reliable and versatile surface topography characterization method as it applies to all kind of surfaces.

Molecular adaptation and resilience of the insect’s nuclear receptor USP

PubMed Central

2012-01-01

Background The maintenance of biological systems requires plasticity and robustness. The function of the ecdysone receptor, a heterodimer composed of the nuclear receptors ECR (NR1H1) and USP (NR2B4), was maintained in insects despite a dramatic divergence that occurred during the emergence of Mecopterida. This receptor is therefore a good model to study the evolution of plasticity. We tested the hypothesis that selection has shaped the Ligand-Binding Domain (LBD) of USP during evolution of Mecopterida. Results We isolated usp and cox1 in several species of Drosophilidae, Tenebrionidae and Blattaria and estimated non-synonymous/synonymous rate ratios using maximum-likelihood methods and codon-based substitution models. Although the usp sequences were mainly under negative selection, we detected relaxation at residues located on the surface of the LBD within Mecopterida families. Using branch-site models, we also detected changes in selective constraints along three successive branches of the Mecopterida evolution. Residues located at the bottom of the ligand-binding pocket (LBP) underwent strong positive selection during the emergence of Mecopterida. This change is correlated with the acquisition of a large LBP filled by phospholipids that probably allowed the stabilisation of the new Mecopterida structure. Later, when the two subgroups of Mecopterida (Amphiesmenoptera: Lepidoptera, Trichoptera; Antliophora: Diptera, Mecoptera, Siphonaptera) diverged, the same positions became under purifying selection. Similarly, several positions of the heterodimerisation interface experienced positive selection during the emergence of Mecopterida, rapidly followed by a phase of constrained evolution. An enlargement of the heterodimerisation surface is specific for Mecopterida and was associated with a reinforcement of the obligatory partnership between ECR and USP, at the expense of homodimerisation. Conclusions In order to explain the episodic mode of evolution of USP, we propose a model in which the molecular adaptation of this protein is seen as a process of resilience for the maintenance of the ecdysone receptor functionality. PMID:23039844

A data-driven multi-model methodology with deep feature selection for short-term wind forecasting

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

Feng, Cong; Cui, Mingjian; Hodge, Bri-Mathias

With the growing wind penetration into the power system worldwide, improving wind power forecasting accuracy is becoming increasingly important to ensure continued economic and reliable power system operations. In this paper, a data-driven multi-model wind forecasting methodology is developed with a two-layer ensemble machine learning technique. The first layer is composed of multiple machine learning models that generate individual forecasts. A deep feature selection framework is developed to determine the most suitable inputs to the first layer machine learning models. Then, a blending algorithm is applied in the second layer to create an ensemble of the forecasts produced by firstmore » layer models and generate both deterministic and probabilistic forecasts. This two-layer model seeks to utilize the statistically different characteristics of each machine learning algorithm. A number of machine learning algorithms are selected and compared in both layers. This developed multi-model wind forecasting methodology is compared to several benchmarks. The effectiveness of the proposed methodology is evaluated to provide 1-hour-ahead wind speed forecasting at seven locations of the Surface Radiation network. Numerical results show that comparing to the single-algorithm models, the developed multi-model framework with deep feature selection procedure has improved the forecasting accuracy by up to 30%.« less

Estimation of Leakage Potential of Selected Sites in Interstate and Tri-State Canals Using Geostatistical Analysis of Selected Capacitively Coupled Resistivity Profiles, Western Nebraska, 2004

USGS Publications Warehouse

Vrabel, Joseph; Teeple, Andrew; Kress, Wade H.

2009-01-01

With increasing demands for reliable water supplies and availability estimates, groundwater flow models often are developed to enhance understanding of surface-water and groundwater systems. Specific hydraulic variables must be known or calibrated for the groundwater-flow model to accurately simulate current or future conditions. Surface geophysical surveys, along with selected test-hole information, can provide an integrated framework for quantifying hydrogeologic conditions within a defined area. In 2004, the U.S. Geological Survey, in cooperation with the North Platte Natural Resources District, performed a surface geophysical survey using a capacitively coupled resistivity technique to map the lithology within the top 8 meters of the near-surface for 110 kilometers of the Interstate and Tri-State Canals in western Nebraska and eastern Wyoming. Assuming that leakage between the surface-water and groundwater systems is affected primarily by the sediment directly underlying the canal bed, leakage potential was estimated from the simple vertical mean of inverse-model resistivity values for depth levels with geometrically increasing layer thickness with depth which resulted in mean-resistivity values biased towards the surface. This method generally produced reliable results, but an improved analysis method was needed to account for situations where confining units, composed of less permeable material, underlie units with greater permeability. In this report, prepared by the U.S. Geological Survey in cooperation with the North Platte Natural Resources District, the authors use geostatistical analysis to develop the minimum-unadjusted method to compute a relative leakage potential based on the minimum resistivity value in a vertical column of the resistivity model. The minimum-unadjusted method considers the effects of homogeneous confining units. The minimum-adjusted method also is developed to incorporate the effect of local lithologic heterogeneity on water transmission. Seven sites with differing geologic contexts were selected following review of the capacitively coupled resistivity data collected in 2004. A reevaluation of these sites using the mean, minimum-unadjusted, and minimum-adjusted methods was performed to compare the different approaches for estimating leakage potential. Five of the seven sites contained underlying confining units, for which the minimum-unadjusted and minimum-adjusted methods accounted for the confining-unit effect. Estimates of overall leakage potential were lower for the minimum-unadjusted and minimum-adjusted methods than those estimated by the mean method. For most sites, the local heterogeneity adjustment procedure of the minimum-adjusted method resulted in slightly larger overall leakage-potential estimates. In contrast to the mean method, the two minimum-based methods allowed the least permeable areas to control the overall vertical permeability of the subsurface. The minimum-adjusted method refined leakage-potential estimation by additionally including local lithologic heterogeneity effects.

Chinese HJ-1C SAR And Its Wind Mapping Capability

NASA Astrophysics Data System (ADS)

Huang, Weigen; Chen, Fengfeng; Yang, Jingsong; Fu, Bin; Chen, Peng; Zhang, Chan

2010-04-01

Chinese Huan Jing (HJ)-1C synthetic aperture radar (SAR) satellite has been planed to be launched in 2010. HJ-1C satellite will fly in a sun-synchronous polar orbit of 500-km altitude. SAR will be the only sensor on board the satellite. It operates in S band with VV polarization. Its image mode has the incidence angles 25°and 47°at the near and far sides of the swath respectively. There are two selectable SAR modes of operation, which are fine resolution beams and standard beams respectively. The sea surface wind mapping capability of the SAR has been examined using M4S radar imaging model developed by Romeiser. The model is based on Bragg scattering theory in a composite surface model expansion. It accounts for contributions of the full ocean wave spectrum to the radar backscatter from ocean surface. The model reproduces absolute normalized radar cross section (NRCS) values for wide ranges of wind speeds. The model results of HJ-1C SAR have been compared with the model results of Envisat ASAR. It shows that HJ-1C SAR is as good as Envisat ASAR at sea surface wind mapping.

Harmonize input selection for sediment transport prediction

NASA Astrophysics Data System (ADS)

Afan, Haitham Abdulmohsin; Keshtegar, Behrooz; Mohtar, Wan Hanna Melini Wan; El-Shafie, Ahmed

2017-09-01

In this paper, three modeling approaches using a Neural Network (NN), Response Surface Method (RSM) and response surface method basis Global Harmony Search (GHS) are applied to predict the daily time series suspended sediment load. Generally, the input variables for forecasting the suspended sediment load are manually selected based on the maximum correlations of input variables in the modeling approaches based on NN and RSM. The RSM is improved to select the input variables by using the errors terms of training data based on the GHS, namely as response surface method and global harmony search (RSM-GHS) modeling method. The second-order polynomial function with cross terms is applied to calibrate the time series suspended sediment load with three, four and five input variables in the proposed RSM-GHS. The linear, square and cross corrections of twenty input variables of antecedent values of suspended sediment load and water discharge are investigated to achieve the best predictions of the RSM based on the GHS method. The performances of the NN, RSM and proposed RSM-GHS including both accuracy and simplicity are compared through several comparative predicted and error statistics. The results illustrated that the proposed RSM-GHS is as uncomplicated as the RSM but performed better, where fewer errors and better correlation was observed (R = 0.95, MAE = 18.09 (ton/day), RMSE = 25.16 (ton/day)) compared to the ANN (R = 0.91, MAE = 20.17 (ton/day), RMSE = 33.09 (ton/day)) and RSM (R = 0.91, MAE = 20.06 (ton/day), RMSE = 31.92 (ton/day)) for all types of input variables.

Targeted versus statistical approaches to selecting parameters for modelling sediment provenance

NASA Astrophysics Data System (ADS)

Laceby, J. Patrick

2017-04-01

One effective field-based approach to modelling sediment provenance is the source fingerprinting technique. Arguably, one of the most important steps for this approach is selecting the appropriate suite of parameters or fingerprints used to model source contributions. Accordingly, approaches to selecting parameters for sediment source fingerprinting will be reviewed. Thereafter, opportunities and limitations of these approaches and some future research directions will be presented. For properties to be effective tracers of sediment, they must discriminate between sources whilst behaving conservatively. Conservative behavior is characterized by constancy in sediment properties, where the properties of sediment sources remain constant, or at the very least, any variation in these properties should occur in a predictable and measurable way. Therefore, properties selected for sediment source fingerprinting should remain constant through sediment detachment, transportation and deposition processes, or vary in a predictable and measurable way. One approach to select conservative properties for sediment source fingerprinting is to identify targeted tracers, such as caesium-137, that provide specific source information (e.g. surface versus subsurface origins). A second approach is to use statistical tests to select an optimal suite of conservative properties capable of modelling sediment provenance. In general, statistical approaches use a combination of a discrimination (e.g. Kruskal Wallis H-test, Mann-Whitney U-test) and parameter selection statistics (e.g. Discriminant Function Analysis or Principle Component Analysis). The challenge is that modelling sediment provenance is often not straightforward and there is increasing debate in the literature surrounding the most appropriate approach to selecting elements for modelling. Moving forward, it would be beneficial if researchers test their results with multiple modelling approaches, artificial mixtures, and multiple lines of evidence to provide secondary support to their initial modelling results. Indeed, element selection can greatly impact modelling results and having multiple lines of evidence will help provide confidence when modelling sediment provenance.

Influence of lake surface area and total phosphorus on annual bluegill growth in small impoundments of central Georgia

USGS Publications Warehouse

Jennings, Cecil A.; Sundmark, Aaron P.

2017-01-01

The relationships between environmental variables and the growth rates of fishes are important and rapidly expanding topics in fisheries ecology. We used an informationtheoretic approach to evaluate the influence of lake surface area and total phosphorus on the age-specific growth rates of Lepomis macrochirus (Bluegill) in 6 small impoundments in central Georgia. We used model averaging to create composite models and determine the relative importance of the variables within each model. Results indicated that surface area was the most important factor in the models predicting growth of Bluegills aged 1–4 years; total phosphorus was also an important predictor for the same age-classes. These results suggest that managers can use water quality and lake morphometry variables to create predictive models specific to their waterbody or region to help develop lake-specific management plans that select for and optimize local-level habitat factors for enhancing Bluegill growth.

Atmospheric Models For Over-Ocean Propagation Loss

DTIC Science & Technology

2015-08-24

Radiosonde balloons are launched daily at selected loca- tions, and measure temperature, dew point temperature, and air pressure as they ascend. Radiosondes...different times of year and locations. The result was used to estimate high-reliability SHF/EHF air -to-surface radio link performance in a maritime...environment. I. INTRODUCTION Air -to-surface radio links differ from typical satellite com- munications links in that the path elevation angles are lower

Inverse Modeling of Water-Rock-CO2 Batch Experiments: Potential Impacts on Groundwater Resources at Carbon Sequestration Sites.

PubMed

Yang, Changbing; Dai, Zhenxue; Romanak, Katherine D; Hovorka, Susan D; Treviño, Ramón H

2014-01-01

This study developed a multicomponent geochemical model to interpret responses of water chemistry to introduction of CO2 into six water-rock batches with sedimentary samples collected from representative potable aquifers in the Gulf Coast area. The model simulated CO2 dissolution in groundwater, aqueous complexation, mineral reactions (dissolution/precipitation), and surface complexation on clay mineral surfaces. An inverse method was used to estimate mineral surface area, the key parameter for describing kinetic mineral reactions. Modeling results suggested that reductions in groundwater pH were more significant in the carbonate-poor aquifers than in the carbonate-rich aquifers, resulting in potential groundwater acidification. Modeled concentrations of major ions showed overall increasing trends, depending on mineralogy of the sediments, especially carbonate content. The geochemical model confirmed that mobilization of trace metals was caused likely by mineral dissolution and surface complexation on clay mineral surfaces. Although dissolved inorganic carbon and pH may be used as indicative parameters in potable aquifers, selection of geochemical parameters for CO2 leakage detection is site-specific and a stepwise procedure may be followed. A combined study of the geochemical models with the laboratory batch experiments improves our understanding of the mechanisms that dominate responses of water chemistry to CO2 leakage and also provides a frame of reference for designing monitoring strategy in potable aquifers.

Modeling Environmental Controls on Tree Water Use at Different Temporal scales

NASA Astrophysics Data System (ADS)

Guan, H.; Wang, H.; Simmons, C. T.

2014-12-01

Vegetation covers 70% of land surface, significantly influencing water and carbon exchange between land surface and the atmosphere. Vegetation transpiration (Et) contributes 80% of the global terrestrial evapotranspiration, making an adequate illustration of how important vegetation is to any hydrological or climatological applications. Transpiration can be estimated through upscaling from sap flow measurements on selected trees. Alternatively, transpiration (or tree water use for forests) can be correlated with environmental variables or estimated in land surface simulations in which a canopy conductance (gc) model is often used. Transpiration and canopy conductance are constrained by supply and demand control factors. Some previous studies estimated Et and gc considering the stresses from both the supply (soil water condition) and demand (e.g. temperature, vapor pressure deficit, solar radiation) factors, while some only considered the demand controls. In this study, we examined the performance of two types of models at daily and half-hourly scales for transpiration and canopy conductance modelling based on a native species in South Australia. The results show that the significance of soil water condition for Et and gc modelling varies with time scales. The model parameter values also vary across time scales. This result calls for attention in choosing models and parameter values for soil-plant-atmosphere continuum and land surface modeling.

High resolution modelling and observation of wind-driven surface currents in a semi-enclosed estuary

NASA Astrophysics Data System (ADS)

Nash, S.; Hartnett, M.; McKinstry, A.; Ragnoli, E.; Nagle, D.

2012-04-01

Hydrodynamic circulation in estuaries is primarily driven by tides, river inflows and surface winds. While tidal and river data can be quite easily obtained for input to hydrodynamic models, sourcing accurate surface wind data is problematic. Firstly, the wind data used in hydrodynamic models is usually measured on land and can be quite different in magnitude and direction from offshore winds. Secondly, surface winds are spatially-varying but due to a lack of data it is common practice to specify a non-varying wind speed and direction across the full extents of a model domain. These problems can lead to inaccuracies in the surface currents computed by three-dimensional hydrodynamic models. In the present research, a wind forecast model is coupled with a three-dimensional numerical model of Galway Bay, a semi-enclosed estuary on the west coast of Ireland, to investigate the effect of surface wind data resolution on model accuracy. High resolution and low resolution wind fields are specified to the model and the computed surface currents are compared with high resolution surface current measurements obtained from two high frequency SeaSonde-type Coastal Ocean Dynamics Applications Radars (CODAR). The wind forecast models used for the research are Harmonie cy361.3, running on 2.5 and 0.5km spatial grids for the low resolution and high resolution models respectively. The low-resolution model runs over an Irish domain on 540x500 grid points with 60 vertical levels and a 60s timestep and is driven by ECMWF boundary conditions. The nested high-resolution model uses 300x300 grid points on 60 vertical levels and a 12s timestep. EFDC (Environmental Fluid Dynamics Code) is used for the hydrodynamic model. The Galway Bay model has ten vertical layers and is resolved spatially and temporally at 150m and 4 sec respectively. The hydrodynamic model is run for selected hindcast dates when wind fields were highly energetic. Spatially- and temporally-varying wind data is provided by offline coupling with the wind forecast models. Modelled surface currents show good correlation with CODAR observed currents and the resolution of the surface wind data is shown to be important for model accuracy.

Addressing numerical challenges in introducing a reactive transport code into a land surface model: A biogeochemical modeling proof-of-concept with CLM-PFLOTRAN 1.0: Modeling Archive

DOE Data Explorer

Tang, G.; Andre, B.; Hoffman, F. M.; Painter, S. L.; Thornton, P. E.; Yuan, F.; Bisht, G.; Hammond, G. E.; Lichtner, P. C.; Kumar, J.; Mills, R. T.; Xu, X.

2016-04-19

This Modeling Archive is in support of an NGEE Arctic discussion paper under review and available at doi:10.5194/gmd-9-927-2016. The purpose is to document the simulations to allow verification, reproducibility, and follow-up studies. This dataset contains shell scripts to create the CLM-PFLOTRAN cases, specific input files for PFLOTRAN and CLM, outputs, and python scripts to make the figures using the outputs in the publication. Through these results, we demonstrate that CLM-PFLOTRAN can approximately reproduce CLM results in selected cases for the Arctic, temperate and tropic sites. In addition, the new framework facilitates mechanistic representations of soil biogeochemistry processes in the land surface model.

Engineering of Surface Chemistry for Enhanced Sensitivity in Nanoporous Interferometric Sensing Platforms.

PubMed

Law, Cheryl Suwen; Sylvia, Georgina M; Nemati, Madieh; Yu, Jingxian; Losic, Dusan; Abell, Andrew D; Santos, Abel

2017-03-15

We explore new approaches to engineering the surface chemistry of interferometric sensing platforms based on nanoporous anodic alumina (NAA) and reflectometric interference spectroscopy (RIfS). Two surface engineering strategies are presented, namely (i) selective chemical functionalization of the inner surface of NAA pores with amine-terminated thiol molecules and (ii) selective chemical functionalization of the top surface of NAA with dithiol molecules. The strong molecular interaction of Au 3+ ions with thiol-containing functional molecules of alkane chain or peptide character provides a model sensing system with which to assess the sensitivity of these NAA platforms by both molecular feature and surface engineering. Changes in the effective optical thickness of the functionalized NAA photonic films (i.e., sensing principle), in response to gold ions, are monitored in real-time by RIfS. 6-Amino-1-hexanethiol (inner surface) and 1,6-hexanedithiol (top surface), the most sensitive functional molecules from approaches i and ii, respectively, were combined into a third sensing strategy whereby the NAA platforms are functionalized on both the top and inner surfaces concurrently. Engineering of the surface according to this approach resulted in an additive enhancement in sensitivity of up to 5-fold compared to previously reported systems. This study advances the rational engineering of surface chemistry for interferometric sensing on nanoporous platforms with potential applications for real-time monitoring of multiple analytes in dynamic environments.

Monte Carlo kinetics simulations of ice-mantle formation on interstellar grains

NASA Astrophysics Data System (ADS)

Garrod, Robin

2015-08-01

The majority of interstellar dust-grain chemical kinetics models use rate equations, or alternative population-based simulation methods, to trace the time-dependent formation of grain-surface molecules and ice mantles. Such methods are efficient, but are incapable of considering explicitly the morphologies of the dust grains, the structure of the ices formed thereon, or the influence of local surface composition on the chemistry.A new Monte Carlo chemical kinetics model, MIMICK, is presented here, whose prototype results were published recently (Garrod 2013, ApJ, 778, 158). The model calculates the strengths and positions of the potential mimima on the surface, on the fly, according to the individual pair-wise (van der Waals) bonds between surface species, allowing the structure of the ice to build up naturally as surface diffusion and chemistry occur. The prototype model considered contributions to a surface particle's potential only from contiguous (or "bonded") neighbors; the full model considers contributions from surface constituents from short to long range. Simulations are conducted on a fully 3-D user-generated dust-grain with amorphous surface characteristics. The chemical network has also been extended from the simple water system previously published, and now includes 33 chemical species and 55 reactions. This allows the major interstellar ice components to be simulated, such as water, methane, ammonia and methanol, as well as a small selection of more complex molecules, including methyl formate (HCOOCH3).The new model results indicate that the porosity of interstellar ices are dependent on multiple variables, including gas density, the dust temperature, and the relative accretion rates of key gas-phase species. The results presented also have implications for the formation of complex organic molecules on dust-grain surfaces at very low temperatures.

Examining speed versus selection in connectivity models using elk migration as an example

USGS Publications Warehouse

Brennan, Angela; Hanks, Ephraim M.; Merkle, Jerod A.; Cole, Eric K.; Dewey, Sarah R.; Courtemanch, Alyson B.; Cross, Paul C.

2018-01-01

ContextLandscape resistance is vital to connectivity modeling and frequently derived from resource selection functions (RSFs). RSFs estimate relative probability of use and tend to focus on understanding habitat preferences during slow, routine animal movements (e.g., foraging). Dispersal and migration, however, can produce rarer, faster movements, in which case models of movement speed rather than resource selection may be more realistic for identifying habitats that facilitate connectivity.ObjectiveTo compare two connectivity modeling approaches applied to resistance estimated from models of movement rate and resource selection.MethodsUsing movement data from migrating elk, we evaluated continuous time Markov chain (CTMC) and movement-based RSF models (i.e., step selection functions [SSFs]). We applied circuit theory and shortest random path (SRP) algorithms to CTMC, SSF and null (i.e., flat) resistance surfaces to predict corridors between elk seasonal ranges. We evaluated prediction accuracy by comparing model predictions to empirical elk movements.ResultsAll connectivity models predicted elk movements well, but models applied to CTMC resistance were more accurate than models applied to SSF and null resistance. Circuit theory models were more accurate on average than SRP models.ConclusionsCTMC can be more realistic than SSFs for estimating resistance for fast movements, though SSFs may demonstrate some predictive ability when animals also move slowly through corridors (e.g., stopover use during migration). High null model accuracy suggests seasonal range data may also be critical for predicting direct migration routes. For animals that migrate or disperse across large landscapes, we recommend incorporating CTMC into the connectivity modeling toolkit.

Assessment of the Unintentional Reuse of Municipal Wastewater

NASA Astrophysics Data System (ADS)

Okasaki, S.; Fono, L.; Sedlak, D. L.; Dracup, J. A.

2002-12-01

Many surface waters that receive wastewater effluent also serve as source waters for drinking water treatment plants. Recent research has shown that a number of previously undiscovered wastewater-derived contaminants are present in these surface waters, including pharmaceuticals and human hormones, several of which are suspected carcinogens or endocrine disrupters and are, as of yet, unregulated through drinking water standards. This research has been designed to determine the extent of contamination of specific wastewater-derived contaminants in surface water bodies that both receive wastewater effluent and serve as a source of drinking water to a sizeable population. We are testing the hypothesis that surface water supplies during low flow are potentially of worse quality than carefully monitored reclaimed water. The first phase of our research involves: (1) the selection of sites for study; (2) a hydrologic analysis of the selected sites to determine average flow of the source water during median- and low-flow conditions; and (3) the development and testing of chemical analyses, including both conservative and reactive tracers that have been studied in microcosms and wetlands for attenuation rates. The second phase involves the development and use of the hydrologic model QUAL2E to simulate each of the selected watersheds in order to estimate potential stream water quality impairments at the drinking water intake at each site. The results of the model are verified with field sampling at designated locations at each site. We expect to identify several critical river basins where surface water at the drinking water intake contains sufficient wastewater-derived contaminants to warrant concern. If wastewater-derived contaminants are detected, we will estimate the average annual exposure of consumers of this water. We will compare these expected and actual concentrations with typical constituent concentrations found in wastewater that has undergone advanced treatment for reclamation. We may demonstrate that the surface water supplies during low flow are actually of worse quality than carefully monitored reclaimed water.

Analysis and design of a capsule landing system and surface vehicle control system for Mars exploration

NASA Technical Reports Server (NTRS)

Frederick, D. K.; Lashmet, P. K.; Sandor, G. N.; Shen, C. N.; Smith, E. V.; Yerazunis, S. W.

1973-01-01

Problems related to the design and control of a mobile planetary vehicle to implement a systematic plan for the exploration of Mars are reported. Problem areas include: vehicle configuration, control, dynamics, systems and propulsion; systems analysis, terrain modeling and path selection; and chemical analysis of specimens. These tasks are summarized: vehicle model design, mathematical model of vehicle dynamics, experimental vehicle dynamics, obstacle negotiation, electrochemical controls, remote control, collapsibility and deployment, construction of a wheel tester, wheel analysis, payload design, system design optimization, effect of design assumptions, accessory optimal design, on-board computer subsystem, laser range measurement, discrete obstacle detection, obstacle detection systems, terrain modeling, path selection system simulation and evaluation, gas chromatograph/mass spectrometer system concepts, and chromatograph model evaluation and improvement.

Dynamic interactions between visual working memory and saccade target selection

PubMed Central

Schneegans, Sebastian; Spencer, John P.; Schöner, Gregor; Hwang, Seongmin; Hollingworth, Andrew

2014-01-01

Recent psychophysical experiments have shown that working memory for visual surface features interacts with saccadic motor planning, even in tasks where the saccade target is unambiguously specified by spatial cues. Specifically, a match between a memorized color and the color of either the designated target or a distractor stimulus influences saccade target selection, saccade amplitudes, and latencies in a systematic fashion. To elucidate these effects, we present a dynamic neural field model in combination with new experimental data. The model captures the neural processes underlying visual perception, working memory, and saccade planning relevant to the psychophysical experiment. It consists of a low-level visual sensory representation that interacts with two separate pathways: a spatial pathway implementing spatial attention and saccade generation, and a surface feature pathway implementing color working memory and feature attention. Due to bidirectional coupling between visual working memory and feature attention in the model, the working memory content can indirectly exert an effect on perceptual processing in the low-level sensory representation. This in turn biases saccadic movement planning in the spatial pathway, allowing the model to quantitatively reproduce the observed interaction effects. The continuous coupling between representations in the model also implies that modulation should be bidirectional, and model simulations provide specific predictions for complementary effects of saccade target selection on visual working memory. These predictions were empirically confirmed in a new experiment: Memory for a sample color was biased toward the color of a task-irrelevant saccade target object, demonstrating the bidirectional coupling between visual working memory and perceptual processing. PMID:25228628

Three Software Tools for Viewing Sectional Planes, Volume Models, and Surface Models of a Cadaver Hand.

PubMed

Chung, Beom Sun; Chung, Min Suk; Shin, Byeong Seok; Kwon, Koojoo

2018-02-19

The hand anatomy, including the complicated hand muscles, can be grasped by using computer-assisted learning tools with high quality two-dimensional images and three-dimensional models. The purpose of this study was to present up-to-date software tools that promote learning of stereoscopic morphology of the hand. On the basis of horizontal sectioned images and outlined images of a male cadaver, vertical planes, volume models, and surface models were elaborated. Software to browse pairs of the sectioned and outlined images in orthogonal planes and software to peel and rotate the volume models, as well as a portable document format (PDF) file to select and rotate the surface models, were produced. All of the software tools were downloadable free of charge and usable off-line. The three types of tools for viewing multiple aspects of the hand could be adequately employed according to individual needs. These new tools involving the realistic images of a cadaver and the diverse functions are expected to improve comprehensive knowledge of the hand shape. © 2018 The Korean Academy of Medical Sciences.

Three Software Tools for Viewing Sectional Planes, Volume Models, and Surface Models of a Cadaver Hand

PubMed Central

2018-01-01

Background The hand anatomy, including the complicated hand muscles, can be grasped by using computer-assisted learning tools with high quality two-dimensional images and three-dimensional models. The purpose of this study was to present up-to-date software tools that promote learning of stereoscopic morphology of the hand. Methods On the basis of horizontal sectioned images and outlined images of a male cadaver, vertical planes, volume models, and surface models were elaborated. Software to browse pairs of the sectioned and outlined images in orthogonal planes and software to peel and rotate the volume models, as well as a portable document format (PDF) file to select and rotate the surface models, were produced. Results All of the software tools were downloadable free of charge and usable off-line. The three types of tools for viewing multiple aspects of the hand could be adequately employed according to individual needs. Conclusion These new tools involving the realistic images of a cadaver and the diverse functions are expected to improve comprehensive knowledge of the hand shape. PMID:29441756

A simulation of remote sensor systems and data processing algorithms for spectral feature classification

NASA Technical Reports Server (NTRS)

Arduini, R. F.; Aherron, R. M.; Samms, R. W.

1984-01-01

A computational model of the deterministic and stochastic processes involved in multispectral remote sensing was designed to evaluate the performance of sensor systems and data processing algorithms for spectral feature classification. Accuracy in distinguishing between categories of surfaces or between specific types is developed as a means to compare sensor systems and data processing algorithms. The model allows studies to be made of the effects of variability of the atmosphere and of surface reflectance, as well as the effects of channel selection and sensor noise. Examples of these effects are shown.

An overview of the on-orbit contamination of the Long Duration Exposure Facility (LDEF)

NASA Technical Reports Server (NTRS)

Stuckey, W. K.

1993-01-01

Contamination that leads to degradation of critical surfaces becomes a vital design issue for many spacecraft programs. One of the processes that must be considered is the on-orbit accumulation of contaminants. The Long Duration Exposure Facility (LDEF) has presented an opportunity to examine the deposits on surfaces returned from orbit in order to help in understanding the deposition processes and the current models used to predict spacecraft contamination levels. The results from various investigators on the contamination of LDEF have implications for material selection, contamination models, and contamination control plans for the design of future spacecraft.

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

NASA Technical Reports Server (NTRS)

Arakawa, A.; Lamb, V. R.

1977-01-01

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

Experiment Design for Complex VTOL Aircraft with Distributed Propulsion and Tilt Wing

NASA Technical Reports Server (NTRS)

Murphy, Patrick C.; Landman, Drew

2015-01-01

Selected experimental results from a wind tunnel study of a subscale VTOL concept with distributed propulsion and tilt lifting surfaces are presented. The vehicle complexity and automated test facility were ideal for use with a randomized designed experiment. Design of Experiments and Response Surface Methods were invoked to produce run efficient, statistically rigorous regression models with minimized prediction error. Static tests were conducted at the NASA Langley 12-Foot Low-Speed Tunnel to model all six aerodynamic coefficients over a large flight envelope. This work supports investigations at NASA Langley in developing advanced configurations, simulations, and advanced control systems.

Proteins feel more than they see: fine-tuning of binding affinity by properties of the non-interacting surface.

PubMed

Kastritis, Panagiotis L; Rodrigues, João P G L M; Folkers, Gert E; Boelens, Rolf; Bonvin, Alexandre M J J

2014-07-15

Protein-protein complexes orchestrate most cellular processes such as transcription, signal transduction and apoptosis. The factors governing their affinity remain elusive however, especially when it comes to describing dissociation rates (koff). Here we demonstrate that, next to direct contributions from the interface, the non-interacting surface (NIS) also plays an important role in binding affinity, especially polar and charged residues. Their percentage on the NIS is conserved over orthologous complexes indicating an evolutionary selection pressure. Their effect on binding affinity can be explained by long-range electrostatic contributions and surface-solvent interactions that are known to determine the local frustration of the protein complex surface. Including these in a simple model significantly improves the affinity prediction of protein complexes from structural models. The impact of mutations outside the interacting surface on binding affinity is supported by experimental alanine scanning mutagenesis data. These results enable the development of more sophisticated and integrated biophysical models of binding affinity and open new directions in experimental control and modulation of biomolecular interactions. Copyright © 2014. Published by Elsevier Ltd.

Optimum location of external markers using feature selection algorithms for real‐time tumor tracking in external‐beam radiotherapy: a virtual phantom study

PubMed Central

Nankali, Saber; Miandoab, Payam Samadi; Baghizadeh, Amin

2016-01-01

In external‐beam radiotherapy, using external markers is one of the most reliable tools to predict tumor position, in clinical applications. The main challenge in this approach is tumor motion tracking with highest accuracy that depends heavily on external markers location, and this issue is the objective of this study. Four commercially available feature selection algorithms entitled 1) Correlation‐based Feature Selection, 2) Classifier, 3) Principal Components, and 4) Relief were proposed to find optimum location of external markers in combination with two “Genetic” and “Ranker” searching procedures. The performance of these algorithms has been evaluated using four‐dimensional extended cardiac‐torso anthropomorphic phantom. Six tumors in lung, three tumors in liver, and 49 points on the thorax surface were taken into account to simulate internal and external motions, respectively. The root mean square error of an adaptive neuro‐fuzzy inference system (ANFIS) as prediction model was considered as metric for quantitatively evaluating the performance of proposed feature selection algorithms. To do this, the thorax surface region was divided into nine smaller segments and predefined tumors motion was predicted by ANFIS using external motion data of given markers at each small segment, separately. Our comparative results showed that all feature selection algorithms can reasonably select specific external markers from those segments where the root mean square error of the ANFIS model is minimum. Moreover, the performance accuracy of proposed feature selection algorithms was compared, separately. For this, each tumor motion was predicted using motion data of those external markers selected by each feature selection algorithm. Duncan statistical test, followed by F‐test, on final results reflected that all proposed feature selection algorithms have the same performance accuracy for lung tumors. But for liver tumors, a correlation‐based feature selection algorithm, in combination with a genetic search algorithm, proved to yield best performance accuracy for selecting optimum markers. PACS numbers: 87.55.km, 87.56.Fc PMID:26894358

Optimum location of external markers using feature selection algorithms for real-time tumor tracking in external-beam radiotherapy: a virtual phantom study.

PubMed

Nankali, Saber; Torshabi, Ahmad Esmaili; Miandoab, Payam Samadi; Baghizadeh, Amin

2016-01-08

In external-beam radiotherapy, using external markers is one of the most reliable tools to predict tumor position, in clinical applications. The main challenge in this approach is tumor motion tracking with highest accuracy that depends heavily on external markers location, and this issue is the objective of this study. Four commercially available feature selection algorithms entitled 1) Correlation-based Feature Selection, 2) Classifier, 3) Principal Components, and 4) Relief were proposed to find optimum location of external markers in combination with two "Genetic" and "Ranker" searching procedures. The performance of these algorithms has been evaluated using four-dimensional extended cardiac-torso anthropomorphic phantom. Six tumors in lung, three tumors in liver, and 49 points on the thorax surface were taken into account to simulate internal and external motions, respectively. The root mean square error of an adaptive neuro-fuzzy inference system (ANFIS) as prediction model was considered as metric for quantitatively evaluating the performance of proposed feature selection algorithms. To do this, the thorax surface region was divided into nine smaller segments and predefined tumors motion was predicted by ANFIS using external motion data of given markers at each small segment, separately. Our comparative results showed that all feature selection algorithms can reasonably select specific external markers from those segments where the root mean square error of the ANFIS model is minimum. Moreover, the performance accuracy of proposed feature selection algorithms was compared, separately. For this, each tumor motion was predicted using motion data of those external markers selected by each feature selection algorithm. Duncan statistical test, followed by F-test, on final results reflected that all proposed feature selection algorithms have the same performance accuracy for lung tumors. But for liver tumors, a correlation-based feature selection algorithm, in combination with a genetic search algorithm, proved to yield best performance accuracy for selecting optimum markers.

Anisotropic surface chemistry properties and adsorption behavior of silicate mineral crystals.

PubMed

Xu, Longhua; Tian, Jia; Wu, Houqin; Fang, Shuai; Lu, Zhongyuan; Ma, Caifeng; Sun, Wei; Hu, Yuehua

2018-03-07

Anisotropic surface properties of minerals play an important role in a variety of fields. With a focus on the two most intensively investigated silicate minerals (i.e., phyllosilicate minerals and pegmatite aluminosilicate minerals), this review highlights the research on their anisotropic surface properties based on their crystal structures. Four surface features comprise the anisotropic surface chemistry of minerals: broken bonds, energy, wettability, and charge. Analysis of surface broken bond and energy anisotropy helps to explain the cleavage and growth properties of mineral crystals, and understanding surface wettability and charge anisotropy is critical to the analysis of minerals' solution behavior, such as their flotation performance and rheological properties. In a specific reaction, the anisotropic surface properties of minerals are reflected in the adsorption strengths of reagents on different mineral surfaces. Combined with the knowledge of mineral crushing and grinding, a thorough understanding of the anisotropic surface chemistry properties and the anisotropic adsorption behavior of minerals will lead to the development of effective relational models comprising their crystal structure, surface chemistry properties, and targeted reagent adsorption. Overall, such a comprehensive approach is expected to firmly establish the connection between selective cleavage of mineral crystals for desired surfaces and designing novel reagents selectively adsorbed on the mineral surfaces. As tools to characterize the anisotropic surface chemistry properties of minerals, DLVO theory, atomic force microscopy (AFM), and molecular dynamics (MD) simulations are also reviewed. Copyright © 2017 Elsevier B.V. All rights reserved.

Optical Imaging of Mammary and Prostate Tumors in Living Animals using a Synthetic Near Infrared Zinc(II)-Dipicolylamine Probe for Anionic Cell Surfaces

PubMed Central

Smith, Bryan A.; Akers, Walter J.; Leevy, W. Matthew; Lampkins, Andrew J.; Xiao, Shuzhang; Wolter, William; Suckow, Mark A.; Achilefu, Samuel; Smith, Bradley D.

2009-01-01

In vivo optical imaging shows that a fluorescent imaging probe, comprised of a near-infrared fluorophore attached to an affinity group containing two zinc(II)-dipicolylamine (Zn-DPA) units, targets prostate and mammary tumors in two different xenograft animal models. The tumor selectivity is absent with control fluorophores whose structures do not have appended Zn-DPA targeting ligands. Ex vivo biodistribution and histological analyses indicate that the probe is targeting the necrotic regions of the tumors, which is consistent with in vitro microscopy showing selective targeting of the anionic membrane surfaces of dead and dying cells. PMID:20014845

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.

MobileFusion: real-time volumetric surface reconstruction and dense tracking on mobile phones.

PubMed

Ondrúška, Peter; Kohli, Pushmeet; Izadi, Shahram

2015-11-01

We present the first pipeline for real-time volumetric surface reconstruction and dense 6DoF camera tracking running purely on standard, off-the-shelf mobile phones. Using only the embedded RGB camera, our system allows users to scan objects of varying shape, size, and appearance in seconds, with real-time feedback during the capture process. Unlike existing state of the art methods, which produce only point-based 3D models on the phone, or require cloud-based processing, our hybrid GPU/CPU pipeline is unique in that it creates a connected 3D surface model directly on the device at 25Hz. In each frame, we perform dense 6DoF tracking, which continuously registers the RGB input to the incrementally built 3D model, minimizing a noise aware photoconsistency error metric. This is followed by efficient key-frame selection, and dense per-frame stereo matching. These depth maps are fused volumetrically using a method akin to KinectFusion, producing compelling surface models. For each frame, the implicit surface is extracted for live user feedback and pose estimation. We demonstrate scans of a variety of objects, and compare to a Kinect-based baseline, showing on average ∼ 1.5cm error. We qualitatively compare to a state of the art point-based mobile phone method, demonstrating an order of magnitude faster scanning times, and fully connected surface models.

A systematic approach to parameter selection for CAD-virtual reality data translation using response surface methodology and MOGA-II.

PubMed

Abidi, Mustufa Haider; Al-Ahmari, Abdulrahman; Ahmad, Ali

2018-01-01

Advanced graphics capabilities have enabled the use of virtual reality as an efficient design technique. The integration of virtual reality in the design phase still faces impediment because of issues linked to the integration of CAD and virtual reality software. A set of empirical tests using the selected conversion parameters was found to yield properly represented virtual reality models. The reduced model yields an R-sq (pred) value of 72.71% and an R-sq (adjusted) value of 86.64%, indicating that 86.64% of the response variability can be explained by the model. The R-sq (pred) is 67.45%, which is not very high, indicating that the model should be further reduced by eliminating insignificant terms. The reduced model yields an R-sq (pred) value of 73.32% and an R-sq (adjusted) value of 79.49%, indicating that 79.49% of the response variability can be explained by the model. Using the optimization software MODE Frontier (Optimization, MOGA-II, 2014), four types of response surfaces for the three considered response variables were tested for the data of DOE. The parameter values obtained using the proposed experimental design methodology result in better graphics quality, and other necessary design attributes.

Comparative Analysis of InSAR Digital Surface Models for Test Area Bucharest

NASA Astrophysics Data System (ADS)

Dana, Iulia; Poncos, Valentin; Teleaga, Delia

2010-03-01

This paper presents the results of the interferometric processing of ERS Tandem, ENVISAT and TerraSAR- X for digital surface model (DSM) generation. The selected test site is Bucharest (Romania), a built-up area characterized by the usual urban complex pattern: mixture of buildings with different height levels, paved roads, vegetation, and water bodies. First, the DSMs were generated following the standard interferometric processing chain. Then, the accuracy of the DSMs was analyzed against the SPOT HRS model (30 m resolution at the equator). A DSM derived by optical stereoscopic processing of SPOT 5 HRG data and also the SRTM (3 arc seconds resolution at the equator) DSM have been included in the comparative analysis.

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.

Microscale Patterning of Thermoplastic Polymer Surfaces by Selective Solvent Swelling

PubMed Central

Rahmanian, Omid; Chen, Chien-Fu; DeVoe, Don L.

2012-01-01

A new method for the fabrication of microscale features in thermoplastic substrates is presented. Unlike traditional thermoplastic microfabrication techniques, in which bulk polymer is displaced from the substrate by machining or embossing, a unique process termed orogenic microfabrication has been developed in which selected regions of a thermoplastic surface are raised from the substrate by an irreversible solvent swelling mechanism. The orogenic technique allows thermoplastic surfaces to be patterned using a variety of masking methods, resulting in three-dimensional features that would be difficult to achieve through traditional microfabrication methods. Using cyclic olefin copolymer as a model thermoplastic material, several variations of this process are described to realize growth heights ranging from several nanometers to tens of microns, with patterning techniques include direct photoresist masking, patterned UV/ozone surface passivation, elastomeric stamping, and noncontact spotting. Orogenic microfabrication is also demonstrated by direct inkjet printing as a facile photolithography-free masking method for rapid desktop thermoplastic microfabrication. PMID:22900539

A Comparison of Mechanical Tetracycline Disinfection of Osseotite and Nanotite Implant Surfaces in a Simulated Model of Peri-implantitis

DTIC Science & Technology

2013-08-14

parameters  used  to   define  disease,  subject  selection  and  the  length  of...disinfection  of  previous  generations  of  implants,   hydroxyapatite -­‐coated  titanium  and  smooth,  machined  surface  implants...of   hydroxyapatite -­‐coated  and   grit-­‐blasted  implants.    They  reported  that  the  different  surfaces  were

Preliminary Assessment of Mars Exploration Rover Landing Site Predictions

NASA Technical Reports Server (NTRS)

Golombek, M.; Grant, J.; Parker, T.; Crisp, J.; Squyres, S.; Carr, M.; Haldemann, A.; Arvidson, R.; Ehlmann, B.; Bell, J.

2004-01-01

Selection of the Mars Exploration Rover (MER) landing sites took place over a three year period in which engineering constraints were identified, 155 possible sites were downselected to the final two, surface environments and safety considerations were developed, and the potential science return at the sites was considered. Landing sites in Gusev crater and Meridiani Planum were selected because they appeared acceptably safe for MER landing and roving and had strong morphologic and mineralogical indicators of liquid water in their past and thus appeared capable of addressing the science objectives of the MER missions, which are to determine the aqueous, climatic, and geologic history of sites on Mars where conditions may have been favorable to the preservation of evidence of possible pre-biotic or biotic processes. Engineering constraints important to the selection included: latitude (10 N-15 S) for maximum solar power; elevation (<-1.3 km) for sufficient atmosphere to slow the lander; low horizontal winds, shear and turbulence in the last few kilometers to minimize horizontal velocity; low 10-m scale slopes to reduce airbag spinup and bounce; moderate rock abundance to reduce abrasion or stroke-out of the airbags; and a radar-reflective, load-bearing and trafficable surface safe for landing and roving that is not dominated by fine-grained dust. In selecting the MER landing sites these engineering constraints were addressed via comprehensive evaluation of surface and atmospheric characteristics from existing remote sensing data and models as well as targeted orbital information acquired from Mars Global Surveyor and Mars Odyssey. This evaluation resulted in a number of predictions of the surface characteristics of the sites, which are tested in this abstract. Relating remote sensing signatures to surface characteristics at landing sites allows these sites to be used as ground truth for the orbital data, is essential for selecting and validating landing sites for future missions, and is required for correctly interpreting the surfaces and materials globally present on Mars.

Examining speed versus selection in connectivity models using elk migration as an example

USGS Publications Warehouse

Brennan, Angela; Hanks, EM; Merkle, JA; Cole, EK; Dewey, SR; Courtemanch, AB; Cross, Paul C.

2018-01-01

Context: Landscape resistance is vital to connectivity modeling and frequently derived from resource selection functions (RSFs). RSFs estimate relative probability of use and tend to focus on understanding habitat preferences during slow, routine animal movements (e.g., foraging). Dispersal and migration, however, can produce rarer, faster movements, in which case models of movement speed rather than resource selection may be more realistic for identifying habitats that facilitate connectivity. Objective: To compare two connectivity modeling approaches applied to resistance estimated from models of movement rate and resource selection. Methods: Using movement data from migrating elk, we evaluated continuous time Markov chain (CTMC) and movement-based RSF models (i.e., step selection functions [SSFs]). We applied circuit theory and shortest random path (SRP) algorithms to CTMC, SSF and null (i.e., flat) resistance surfaces to predict corridors between elk seasonal ranges. We evaluated prediction accuracy by comparing model predictions to empirical elk movements. Results: All models predicted elk movements well, but models applied to CTMC resistance were more accurate than models applied to SSF and null resistance. Circuit theory models were more accurate on average than SRP algorithms. Conclusions: CTMC can be more realistic than SSFs for estimating resistance for fast movements, though SSFs may demonstrate some predictive ability when animals also move slowly through corridors (e.g., stopover use during migration). High null model accuracy suggests seasonal range data may also be critical for predicting direct migration routes. For animals that migrate or disperse across large landscapes, we recommend incorporating CTMC into the connectivity modeling toolkit.

Convex set and linear mixing model

NASA Technical Reports Server (NTRS)

Xu, P.; Greeley, R.

1993-01-01

A major goal of optical remote sensing is to determine surface compositions of the earth and other planetary objects. For assessment of composition, single pixels in multi-spectral images usually record a mixture of the signals from various materials within the corresponding surface area. In this report, we introduce a closed and bounded convex set as a mathematical model for linear mixing. This model has a clear geometric implication because the closed and bounded convex set is a natural generalization of a triangle in n-space. The endmembers are extreme points of the convex set. Every point in the convex closure of the endmembers is a linear mixture of those endmembers, which is exactly how linear mixing is defined. With this model, some general criteria for selecting endmembers could be described. This model can lead to a better understanding of linear mixing models.

Solvability conditions for dendritic growth in the boundary-layer model with capillary anisotropy

NASA Technical Reports Server (NTRS)

Langer, J. S.; Hong, D. C.

1986-01-01

This paper is concerned primarily with the development of an analytic approach to the theory of steady-state velocity selection in the boundary-layer model of dendritic solidification. The two-dimensional version of this model with a fourfold crystalline anisotropy alpha in the surface tension is considered. By extending a WKB method introduced in an earlier paper, the alpha dependence of the selected growth rate is determined in the limit of small alpha; and this rate is studied for large alphas in the limit in which the dimensionless undercooling approaches unity. Portions of the paper are devoted to a reinterpretation of the mathematical structure of the solvability condition in problems of this kind.

Examining Environmental Gradients with satellite data in permafrost regions - the current state of the ESA GlobPermafrost initative

NASA Astrophysics Data System (ADS)

Grosse, G.; Bartsch, A.; Kääb, A.; Westermann, S.; Strozzi, T.; Wiesmann, A.; Duguay, C. R.; Seifert, F. M.; Obu, J.; Nitze, I.; Heim, B.; Haas, A.; Widhalm, B.

2017-12-01

Permafrost cannot be directly detected from space, but many surface features of permafrost terrains and typical periglacial landforms are observable with a variety of EO sensors ranging from very high to medium resolution at various wavelengths. In addition, landscape dynamics associated with permafrost changes and geophysical variables relevant for characterizing the state of permafrost, such as land surface temperature or freeze-thaw state can be observed with spaceborne Earth Observation. Suitable regions to examine environmental gradients across the Arctic have been defined in a community white paper (Bartsch et al. 2014, hdl:10013/epic.45648.d001). These transects have been revised and adjusted within the DUE GlobPermafrost initiative of the European Space Agency. The ESA DUE GlobPermafrost project develops, validates and implements Earth Observation (EO) products to support research communities and international organisations in their work on better understanding permafrost characteristics and dynamics. Prototype product cases will cover different aspects of permafrost by integrating in situ measurements of subsurface and surface properties, Earth Observation, and modelling to provide a better understanding of permafrost today. The project will extend local process and permafrost monitoring to broader spatial domains, support permafrost distribution modelling, and help to implement permafrost landscape and feature mapping in a GIS framework. It will also complement active layer and thermal observing networks. Both lowland (latitudinal) and mountain (altitudinal) permafrost issues are addressed. The status of the Permafrost Information System and first results will be presented. Prototypes of GlobPermafrost datasets include: Modelled mean annual ground temperature by use of land surface temperature and snow water equivalent from satellites Land surface characterization including shrub height, land cover and parameters related to surface roughness Trends from Landsat time-series over selected transects For selected sites: subsidence, ground fast lake ice, land surface features and rock glacier monitoring

Growth kinetics and mass transport mechanisms of GaN columns by selective area metal organic vapor phase epitaxy

NASA Astrophysics Data System (ADS)

Wang, Xue; Hartmann, Jana; Mandl, Martin; Sadat Mohajerani, Matin; Wehmann, Hergo-H.; Strassburg, Martin; Waag, Andreas

2014-04-01

Three-dimensional GaN columns recently have attracted a lot of attention as the potential basis for core-shell light emitting diodes for future solid state lighting. In this study, the fundamental insights into growth kinetics and mass transport mechanisms of N-polar GaN columns during selective area metal organic vapor phase epitaxy on patterned SiOx/sapphire templates are systematically investigated using various pitch of apertures, growth time, and silane flow. Species impingement fluxes on the top surface of columns Jtop and on their sidewall Jsw, as well as, the diffusion flux from the substrate Jsub contribute to the growth of the GaN columns. The vertical and lateral growth rates devoted by Jtop, Jsw and Jsub are estimated quantitatively. The diffusion length of species on the SiOx mask surface λsub as well as on the sidewall surfaces of the 3D columns λsw are determined. The influences of silane on the growth kinetics are discussed. A growth model is developed for this selective area metal organic vapor phase epitaxy processing.

Applying Alkyl-Chain Surface Functionalizations in Mesoporous Inorganic Structures: Their Impact on Gas Flow and Selectivity Depending on Temperature.

PubMed

Besser, Benjamin; Ahmed, Atiq; Baune, Michael; Kroll, Stephen; Thöming, Jorg; Rezwan, Kurosch

2016-10-12

Porous inorganic capillary membranes are prepared to serve as model structures for the experimental investigation of the gas transport in functionalized mesopores. The porous structures possess a mean pore diameter of 23 nm which is slightly reduced to 20 nm after immobilizing C 16 -alkyl chains on the surface. Gas permeation measurements are performed at temperatures ranging from 0 to 80 °C using Ar, N 2 , and CO 2 . Nonfunctionalized structures feature a gas transport according to Knudsen diffusion with regard to gas flow and selectivity. After C 16 -functionalization, the gas flow is reduced by a factor of 10, and the ideal selectivities deviate from the Knudsen theory. CO 2 adsorption measurements show a decrease in total amount of adsorbed gas and isosteric heat of adsorption. It is hypothesized that the immobilized C 16 -chains sterically influence the gas transport behavior without a contribution from adsorption effects. The reduced gas flow derives from an additional surface resistance caused by the C 16 -chains spacially limiting the adsorption and desorption directions for gas molecules propagating through the structure, resulting in longer diffusion paths. In agreement, the gas flow is found to correlate with the molecular diameter of the gas species (CO 2 < Ar < N 2 ) increasing the resistance for larger molecules. This affects the ideal selectivities with the relation [Formula: see text]. The influence on selectivity increases with increasing temperature which leads to the conclusion that the temperature induced movement of the C 16 -chains is responsible for the stronger interaction between gas molecules and surface functional groups.

Two cation exchange models for direct and inverse modelling of solution major cation composition in equilibrium with illite surfaces

NASA Astrophysics Data System (ADS)

Tournassat, Christophe; Gailhanou, Hélène; Crouzet, Catherine; Braibant, Gilles; Gautier, Anne; Lassin, Arnault; Blanc, Philippe; Gaucher, Eric C.

2007-03-01

Na/K, Na/Ca and Na/Mg exchange isotherms were performed on the fine fraction (<2 μm) of Imt-2 illite samples at a total normality of about 0.005 mol/L in anionic chloride medium. The derived selectivity coefficients for Na/K, Na/Ca and Na/Mg were found to vary as a function of the exchanger composition and compared well with the data collected in the literature for similar experimental conditions. Two models were built to reproduce the data: the first was a multi(2)-site model with constant Gaines and Thomas selectivity coefficients; the second was a one-site model taking into account surface species activity coefficients. The results of the models were in rather good agreement with both our data and literature data. The multi-site model proved to be efficient in predicting the exchanger composition as a function of the Na/Ca/Mg/K concentrations in solution, whereas the one-site model proved to be a better approach to derive the Na/Ca/Mg/K concentrations in solution based on the knowledge of the exchanger composition and the total normality of the solution. The interest of this approach is illustrated by the need for major cation solute concentration predictions in compacted clay for the characterization of nuclear deep disposal host rock repositories.

Carboxyl-rich plasma polymer surfaces in surface plasmon resonance immunosensing

NASA Astrophysics Data System (ADS)

Makhneva, Ekaterina; Obrusník, Adam; Farka, Zdeněk; Skládal, Petr; Vandenbossche, Marianne; Hegemann, Dirk; Zajíčková, Lenka

2018-01-01

Stable carboxyl-rich plasma polymers (PPs) were deposited onto the gold surface of surface plasmon resonance (SPR) chips under conditions that were chosen based on lumped kinetic model results. Carboxyl-rich films are of high interest for bio-applications thanks to their high reactivity, allowing the formation of covalent linkages between biomolecules and a surface. Accordingly, the monoclonal antibody, specific to human serum albumin (HSA), was immobilized and the performance of SPR immunosensors was evaluated by the immunoassay flow test. The developed sensors performed high level of stability and provided selective and high response to the HSA antigen solutions. The achieved results confirmed that the presented methodologies for the grafting of biomolecules on the gold surfaces have great potential for biosensing applications.

A DFT study and micro-kinetic analysis of acetylene selective hydrogenation on Pd-doped Cu(111) surfaces

NASA Astrophysics Data System (ADS)

Ma, Ling-Ling; Lv, Cun-Qin; Wang, Gui-Chang

2017-07-01

Semi-hydrogenation of acetylene in a hydrogen-rich stream is an industrially important process. Inspired by the recent experiments that Cu(111) surface doped by a small number of Pd atoms can exhibit excellent catalytic performance toward the dissociation of H2 molecule as well as the high selective hydrogenation of acetylene as compared with pure Cu and Pd metal alone at low-temperature, here we performed systematic first-principles calculations to investigate the corresponding reaction mechanism related to the acetylene hydrogenation processes on single atom alloys (SAAs) and monolayer Pd/Cu(111) (i.e.,1.00 ML Pd/Cu(111)) model catalysts in detail, and to explore the possible factors controlling the high selectivity on SAAs. Our results clearly demonstrate that the SAA catalyst has higher selectivity for the ethylene formation than that of 1.00 ML Pd/Cu(111), and lower activity for the acetylene conversion compared with that of 1.00 ML Pd/Cu(111). The relatively high selectivity on SAA is mainly due to the facile desorption of ethylene and moderate activity in the dissociation of molecular H2. The main factor which lowers the selectivity towards the ethylene formation on 1.00 ML Pd/Cu(111) is that this system has a higher capacity to promote the breaking of Csbnd H/Csbnd C bonds, which leads to the formation of carbonaceous deposits and polymers such as benzene, and thus reduces the selectivity for the ethylene formation. Meanwhile, it was found that the desorption energy of ethylene on these two surfaces was smaller than the energy barrier of further hydrogenation, which results in the absence of ethane on these two systems. Micro-kinetic model analysis provides a further valuable insight into the evidence for the key factors controlling the catalytic activity and selectivity towards the selective hydrogenation of acetylene. Our findings may help people to design a highly selective hydrogenation catalyst by controlling the balance between the H2 dissociation and Csbnd H/Csbnd C bond broken processes, and a good catalyst should be the one with the modest catalytic activity in the activation of molecular H2. At the same time, the present work provides an extremely significant mechanism of acetylene trimerization to form benzene and carbon formation.

Frequency selective infrared sensors

DOEpatents

Davids, Paul; Peters, David W

2014-11-25

A frequency selective infrared (IR) photodetector having a predetermined frequency band. The exemplary frequency selective photodetector includes: a dielectric IR absorber having a first surface and a second surface substantially parallel to the first surface; an electrode electrically coupled to the first surface of the dielectric IR absorber; and a frequency selective surface plasmonic (FSSP) structure formed on the second surface of the dielectric IR absorber. The FSSP structure is designed to selectively transmit radiation in the predetermined frequency band that is incident on the FSSP structure substantially independent of the angle of incidence of the incident radiation on the FSSP structure.

Frequency selective infrared sensors

DOEpatents

Davids, Paul; Peters, David W

2013-05-28

A frequency selective infrared (IR) photodetector having a predetermined frequency band. The exemplary frequency selective photodetector includes: a dielectric IR absorber having a first surface and a second surface substantially parallel to the first surface; an electrode electrically coupled to the first surface of the dielectric IR absorber; and a frequency selective surface plasmonic (FSSP) structure formed on the second surface of the dielectric IR absorber. The FSSP structure is designed to selectively transmit radiation in the predetermined frequency band that is incident on the FSSP structure substantially independent of the angle of incidence of the incident radiation on the FSSP structure.

Tailored Mesoporous Silicas: From Confinement Effects to Catalysis

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

Buchanan III, A C; Kidder, Michelle

2010-01-01

Ordered mesoporous silicas continue to find widespread use as supports for diverse applications such as catalysis, separations, and sensors. They provide a versatile platform for these studies because of their high surface area and the ability to control pore size, topology, and surface properties over wide ranges. Furthermore, there is a diverse array of synthetic methodologies for tailoring the pore surface with organic, organometallic, and inorganic functional groups. In this paper, we will discuss two examples of tailored mesoporous silicas and the resultant impact on chemical reactivity. First, we explore the impact of pore confinement on the thermochemical reactivity ofmore » phenethyl phenyl ether (PhCH2CH2OPh, PPE), which is a model of the dominant {beta}-aryl ether linkage present in lignin derived from woody biomass. The influence of PPE surface immobilization, grafting density, silica pore diameter, and presence of a second surface-grafted inert 'spacer' molecule on the product selectivity has been examined. We will show that the product selectivity can be substantially altered compared with the inherent gas-phase selectivity. Second, we have recently initiated an investigation of mesoporous silica supported, heterobimetallic oxide materials for photocatalytic conversion of carbon dioxide. Through surface organometallic chemistry, isolated M-O-M species can be generated on mesoporous silicas that, upon irradiation, form metal to metal charge transfer bands capable of converting CO{sub 2} into CO. Initial results from studies of Ti(IV)-O-Sn(II) on SBA-15 will be presented.« less

Diffuse sorption modeling.

PubMed

Pivovarov, Sergey

2009-04-01

This work presents a simple solution for the diffuse double layer model, applicable to calculation of surface speciation as well as to simulation of ionic adsorption within the diffuse layer of solution in arbitrary salt media. Based on Poisson-Boltzmann equation, the Gaines-Thomas selectivity coefficient for uni-bivalent exchange on clay, K(GT)(Me(2+)/M(+))=(Q(Me)(0.5)/Q(M)){M(+)}/{Me(2+)}(0.5), (Q is the equivalent fraction of cation in the exchange capacity, and {M(+)} and {Me(2+)} are the ionic activities in solution) may be calculated as [surface charge, mueq/m(2)]/0.61. The obtained solution of the Poisson-Boltzmann equation was applied to calculation of ionic exchange on clays and to simulation of the surface charge of ferrihydrite in 0.01-6 M NaCl solutions. In addition, a new model of acid-base properties was developed. This model is based on assumption that the net proton charge is not located on the mathematical surface plane but diffusely distributed within the subsurface layer of the lattice. It is shown that the obtained solution of the Poisson-Boltzmann equation makes such calculations possible, and that this approach is more efficient than the original diffuse double layer model.

Landscape characteristics influencing the genetic structure of greater sage-grouse within the stronghold of their range: a holistic modeling approach

USGS Publications Warehouse

Row, Jeff R; Oyler-McCance, Sara J.; Fike, Jennifer; O'Donnell, Michael; Doherty, Kevin E.; Aldridge, Cameron L.; Bowen, Zachary H.; Fedy, Brad C.

2015-01-01

Given the significance of animal dispersal to population dynamics and geographic variability, understanding how dispersal is impacted by landscape patterns has major ecological and conservation importance. Speaking to the importance of dispersal, the use of linear mixed models to compare genetic differentiation with pairwise resistance derived from landscape resistance surfaces has presented new opportunities to disentangle the menagerie of factors behind effective dispersal across a given landscape. Here, we combine these approaches with novel resistance surface parameterization to determine how the distribution of high- and low-quality seasonal habitat and individual landscape components shape patterns of gene flow for the greater sage-grouse (Centrocercus urophasianus) across Wyoming. We found that pairwise resistance derived from the distribution of low-quality nesting and winter, but not summer, seasonal habitat had the strongest correlation with genetic differentiation. Although the patterns were not as strong as with habitat distribution, multivariate models with sagebrush cover and landscape ruggedness or forest cover and ruggedness similarly had a much stronger fit with genetic differentiation than an undifferentiated landscape. In most cases, landscape resistance surfaces transformed with 17.33-km-diameter moving windows were preferred, suggesting small-scale differences in habitat were unimportant at this large spatial extent. Despite the emergence of these overall patterns, there were differences in the selection of top models depending on the model selection criteria, suggesting research into the most appropriate criteria for landscape genetics is required. Overall, our results highlight the importance of differences in seasonal habitat preferences to patterns of gene flow and suggest the combination of habitat suitability modeling and linear mixed models with our resistance parameterization is a powerful approach to discerning the effects of landscape on gene flow.

Thin Cloud Detection Method by Linear Combination Model of Cloud Image

NASA Astrophysics Data System (ADS)

Liu, L.; Li, J.; Wang, Y.; Xiao, Y.; Zhang, W.; Zhang, S.

2018-04-01

The existing cloud detection methods in photogrammetry often extract the image features from remote sensing images directly, and then use them to classify images into cloud or other things. But when the cloud is thin and small, these methods will be inaccurate. In this paper, a linear combination model of cloud images is proposed, by using this model, the underlying surface information of remote sensing images can be removed. So the cloud detection result can become more accurate. Firstly, the automatic cloud detection program in this paper uses the linear combination model to split the cloud information and surface information in the transparent cloud images, then uses different image features to recognize the cloud parts. In consideration of the computational efficiency, AdaBoost Classifier was introduced to combine the different features to establish a cloud classifier. AdaBoost Classifier can select the most effective features from many normal features, so the calculation time is largely reduced. Finally, we selected a cloud detection method based on tree structure and a multiple feature detection method using SVM classifier to compare with the proposed method, the experimental data shows that the proposed cloud detection program in this paper has high accuracy and fast calculation speed.

Screening of the aerodynamic and biophysical properties of barley malt

NASA Astrophysics Data System (ADS)

Ghodsvali, Alireza; Farzaneh, Vahid; Bakhshabadi, Hamid; Zare, Zahra; Karami, Zahra; Mokhtarian, Mohsen; Carvalho, Isabel. S.

2016-10-01

An understanding of the aerodynamic and biophysical properties of barley malt is necessary for the appropriate design of equipment for the handling, shipping, dehydration, grading, sorting and warehousing of this strategic crop. Malting is a complex biotechnological process that includes steeping; germination and finally, the dehydration of cereal grains under controlled temperature and humidity conditions. In this investigation, the biophysical properties of barley malt were predicted using two models of artificial neural networks as well as response surface methodology. Stepping time and germination time were selected as the independent variables and 1 000 kernel weight, kernel density and terminal velocity were selected as the dependent variables (responses). The obtained outcomes showed that the artificial neural network model, with a logarithmic sigmoid activation function, presents more precise results than the response surface model in the prediction of the aerodynamic and biophysical properties of produced barley malt. This model presented the best result with 8 nodes in the hidden layer and significant correlation coefficient values of 0.783, 0.767 and 0.991 were obtained for responses one thousand kernel weight, kernel density, and terminal velocity, respectively. The outcomes indicated that this novel technique could be successfully applied in quantitative and qualitative monitoring within the malting process.

Four-parameter model for polarization-resolved rough-surface BRDF.

PubMed

Renhorn, Ingmar G E; Hallberg, Tomas; Bergström, David; Boreman, Glenn D

2011-01-17

A modeling procedure is demonstrated, which allows representation of polarization-resolved BRDF data using only four parameters: the real and imaginary parts of an effective refractive index with an added parameter taking grazing incidence absorption into account and an angular-scattering parameter determined from the BRDF measurement of a chosen angle of incidence, preferably close to normal incidence. These parameters allow accurate predictions of s- and p-polarized BRDF for a painted rough surface, over three decades of variation in BRDF magnitude. To characterize any particular surface of interest, the measurements required to determine these four parameters are the directional hemispherical reflectance (DHR) for s- and p-polarized input radiation and the BRDF at a selected angle of incidence. The DHR data describes the angular and polarization dependence, as well as providing the overall normalization constraint. The resulting model conserves energy and fulfills the reciprocity criteria.

The conversion of CO 2 to methanol on orthorhombic β-Mo 2C and Cu/β-Mo 2C catalysts: Mechanism for admetal induced change in the selectivity and activity

DOE PAGES

Posada-Pérez, Sergio; Ramírez, Pedro J.; Gutiérrez, Ramón A.; ...

2016-02-01

Here, the conversion of CO 2 into methanol catalyzed by β-Mo 2C and Cu/β-Mo 2C surfaces has been investigated by means of a combined experimental and theoretical study. Experiments have shown the direct activation and dissociation of the CO 2 molecule on bare β-Mo 2C, whereas on Cu/β-Mo 2C, CO 2 must be assisted by hydrogen for its conversion. Methane and CO are the main products on the clean surface and methanol production is lower. However, the deposition of Cu clusters avoids methane formation and increases methanol production even above that corresponding to a model of the technical catalyst. DFTmore » calculations on surface models of both possible C- and Mo-terminations corroborate the experimental observations. Calculations for the clean Mo-terminated surface reveal the existence of two possible routes for methane production (C + 4H → CH 4; CH 3O + 3H → CH 4 + H 2O) which are competitive with methanol synthesis, displaying slightly lower energy barriers. On the other hand, a model for Cu deposited clusters on the Mo-terminated surface points towards a new route for methanol and CO production avoiding methane formation. The new route is a direct consequence of the generation of a Mo 2C–Cu interface. The present experimental and theoretical results entail the interesting catalytic properties of Mo 2C as an active support of metallic nanoparticles, and also illustrate how the deposition of a metal can drastically change the activity and selectivity of a carbide substrate for CO 2 hydrogenation.« less

Dispersal Ecology Informs Design of Large-Scale Wildlife Corridors.

PubMed

Benz, Robin A; Boyce, Mark S; Thurfjell, Henrik; Paton, Dale G; Musiani, Marco; Dormann, Carsten F; Ciuti, Simone

Landscape connectivity describes how the movement of animals relates to landscape structure. The way in which movement among populations is affected by environmental conditions is important for predicting the effects of habitat fragmentation, and for defining conservation corridors. One approach has been to map resistance surfaces to characterize how environmental variables affect animal movement, and to use these surfaces to model connectivity. However, current connectivity modelling typically uses information on species location or habitat preference rather than movement, which unfortunately may not capture dispersal limitations. Here we emphasize the importance of implementing dispersal ecology into landscape connectivity, i.e., observing patterns of habitat selection by dispersers during different phases of new areas' colonization to infer habitat connectivity. Disperser animals undertake a complex sequence of movements concatenated over time and strictly dependent on species ecology. Using satellite telemetry, we investigated the movement ecology of 54 young male elk Cervus elaphus, which commonly disperse, to design a corridor network across the Northern Rocky Mountains. Winter residency period is often followed by a spring-summer movement phase, when young elk migrate with mothers' groups to summering areas, and by a further dispersal bout performed alone to a novel summer area. After another summer residency phase, dispersers usually undertake a final autumnal movement to reach novel wintering areas. We used resource selection functions to identify winter and summer habitats selected by elk during residency phases. We then extracted movements undertaken during spring to move from winter to summer areas, and during autumn to move from summer to winter areas, and modelled them using step selection functions. We built friction surfaces, merged the different movement phases, and eventually mapped least-cost corridors. We showed an application of this tool by creating a scenario with movement predicted as there were no roads, and mapping highways' segments impeding elk connectivity.

Dispersal Ecology Informs Design of Large-Scale Wildlife Corridors

PubMed Central

Benz, Robin A.; Boyce, Mark S.; Thurfjell, Henrik; Paton, Dale G.; Musiani, Marco; Dormann, Carsten F.; Ciuti, Simone

2016-01-01

Landscape connectivity describes how the movement of animals relates to landscape structure. The way in which movement among populations is affected by environmental conditions is important for predicting the effects of habitat fragmentation, and for defining conservation corridors. One approach has been to map resistance surfaces to characterize how environmental variables affect animal movement, and to use these surfaces to model connectivity. However, current connectivity modelling typically uses information on species location or habitat preference rather than movement, which unfortunately may not capture dispersal limitations. Here we emphasize the importance of implementing dispersal ecology into landscape connectivity, i.e., observing patterns of habitat selection by dispersers during different phases of new areas’ colonization to infer habitat connectivity. Disperser animals undertake a complex sequence of movements concatenated over time and strictly dependent on species ecology. Using satellite telemetry, we investigated the movement ecology of 54 young male elk Cervus elaphus, which commonly disperse, to design a corridor network across the Northern Rocky Mountains. Winter residency period is often followed by a spring-summer movement phase, when young elk migrate with mothers’ groups to summering areas, and by a further dispersal bout performed alone to a novel summer area. After another summer residency phase, dispersers usually undertake a final autumnal movement to reach novel wintering areas. We used resource selection functions to identify winter and summer habitats selected by elk during residency phases. We then extracted movements undertaken during spring to move from winter to summer areas, and during autumn to move from summer to winter areas, and modelled them using step selection functions. We built friction surfaces, merged the different movement phases, and eventually mapped least-cost corridors. We showed an application of this tool by creating a scenario with movement predicted as there were no roads, and mapping highways’ segments impeding elk connectivity. PMID:27657496

A Microwave Pressure Sounder

NASA Technical Reports Server (NTRS)

Flower, D. A.; Peckham, G. E.

1978-01-01

An instrument to measure atmospheric pressure at the earth's surface from an orbiting satellite would be a valuable addition to the expanding inventory of remote sensors. The subject of this report is such an instrument - the Microwave Pressure Sounder (MPS). It is shown that global-ocean coverage is attainable with sufficient accuracy, resolution and observational frequency for meteorological, oceanographic and climate research applications. Surface pressure can be deduced from a measurement of the absorption by an atmospheric column at a frequency in the wing of the oxygen band centered on 60 GHz. An active multifrequency instrument is needed to make this measurement with sufficient accuracy. The selection of optimum operating frequencies is based upon accepted models of surface reflection, oxygen, water vapor and cloud absorption. Numerical simulation using a range of real atmospheres defined by radiosonde observations were used to validate the frequency selection procedure. Analyses are presented of alternative system configurations that define the balance between accuracy and achievable resolution.

MOLA-Based Landing Site Characterization

NASA Technical Reports Server (NTRS)

Duxbury, T. C.; Ivanov, A. B.

2001-01-01

The Mars Global Surveyor (MGS) Mars Orbiter Laser Altimeter (MOLA) data provide the basis for site characterization and selection never before possible. The basic MOLA information includes absolute radii, elevation and 1 micrometer albedo with derived datasets including digital image models (DIM's illuminated elevation data), slopes maps and slope statistics and small scale surface roughness maps and statistics. These quantities are useful in downsizing potential sites from descent engineering constraints and landing/roving hazard and mobility assessments. Slope baselines at the few hundred meter level and surface roughness at the 10 meter level are possible. Additionally, the MOLA-derived Mars surface offers the possibility to precisely register and map project other instrument datasets (images, ultraviolet, infrared, radar, etc.) taken at different resolution, viewing and lighting geometry, building multiple layers of an information cube for site characterization and selection. Examples of direct MOLA data, data derived from MOLA and other instruments data registered to MOLA arc given for the Hematite area.

Adsorption of aromatic compounds from the biodegradation of azo dyes on activated carbon

NASA Astrophysics Data System (ADS)

Faria, P. C. C.; Órfão, J. J. M.; Figueiredo, J. L.; Pereira, M. F. R.

2008-03-01

The adsorption of three selected aromatic compounds (aniline, sulfanilic acid and benzenesulfonic acid) on activated carbons with different surface chemical properties was investigated at different solution pH. A fairly basic commercial activated carbon was modified by means of chemical treatment with HNO 3, yielding an acid activated carbon. The textural properties of this sample were not significantly changed after the oxidation treatment. Equilibrium isotherms of the selected compounds on the mentioned samples were obtained and the results were discussed in relation to their surface chemistry. The influence of electrostatic and dispersive interactions involved in the uptake of the compounds studied was evaluated. The Freundlich model was used to fit the experimental data. Higher uptakes are attained when the compounds are present in their molecular form. In general, adsorption was disfavoured by the introduction of oxygen-containing groups on the surface of the activated carbon.

Utilizing Mars Global Reference Atmospheric Model (Mars-GRAM 2005) to Evaluate Entry Probe Mission Sites

NASA Technical Reports Server (NTRS)

Justh, Hilary L.; Justus, C. G.

2008-01-01

Engineering-level atmospheric model widely used for diverse mission applications. Mars-GRAM s perturbation modeling capability is commonly used, in a Monte-Carlo mode, to perform high fidelity engineering end-to-end simulations for entry, descent, and landing (EDL)1. Traditional Mars-GRAM options for representing the mean atmosphere along entry corridors include: a) TES Mapping Years 1 and 2, with Mars-GRAM data coming from MGCM model results driven by observed TES dust optical depth; and b) TES Mapping Year 0, with user-controlled dust optical depth and Mars-GRAM data interpolated from MGCM model results driven by selected values of globally-uniform dust optical depth. From the surface to 80 km altitude, Mars-GRAM is based on NASA Ames Mars General Circulation Model (MGCM). Mars-GRAM and MGCM use surface topography from Mars Global Surveyor Mars Orbiter Laser Altimeter (MOLA), with altitudes referenced to the MOLA areoid, or constant potential surface. Mars-GRAM 2005 has been validated2 against Radio Science data, and both nadir and limb data from the Thermal Emission Spectrometer (TES)

A Simple Approach to Account for Climate Model Interdependence in Multi-Model Ensembles

NASA Astrophysics Data System (ADS)

Herger, N.; Abramowitz, G.; Angelil, O. M.; Knutti, R.; Sanderson, B.

2016-12-01

Multi-model ensembles are an indispensable tool for future climate projection and its uncertainty quantification. Ensembles containing multiple climate models generally have increased skill, consistency and reliability. Due to the lack of agreed-on alternatives, most scientists use the equally-weighted multi-model mean as they subscribe to model democracy ("one model, one vote").Different research groups are known to share sections of code, parameterizations in their model, literature, or even whole model components. Therefore, individual model runs do not represent truly independent estimates. Ignoring this dependence structure might lead to a false model consensus, wrong estimation of uncertainty and effective number of independent models.Here, we present a way to partially address this problem by selecting a subset of CMIP5 model runs so that its climatological mean minimizes the RMSE compared to a given observation product. Due to the cancelling out of errors, regional biases in the ensemble mean are reduced significantly.Using a model-as-truth experiment we demonstrate that those regional biases persist into the future and we are not fitting noise, thus providing improved observationally-constrained projections of the 21st century. The optimally selected ensemble shows significantly higher global mean surface temperature projections than the original ensemble, where all the model runs are considered. Moreover, the spread is decreased well beyond that expected from the decreased ensemble size.Several previous studies have recommended an ensemble selection approach based on performance ranking of the model runs. Here, we show that this approach can perform even worse than randomly selecting ensemble members and can thus be harmful. We suggest that accounting for interdependence in the ensemble selection process is a necessary step for robust projections for use in impact assessments, adaptation and mitigation of climate change.

Influence of Size and Shape of Silica Supports on the Sol⁻Gel Surface Molecularly Imprinted Polymers for Selective Adsorption of Gossypol.

PubMed

Zhi, Keke; Wang, Lulu; Zhang, Yagang; Jiang, Yingfang; Zhang, Letao; Yasin, Akram

2018-05-11

The influence of various silica gel supports with different shapes and sizes on the recognition properties of surface molecular imprinted polymers (MIPs) was investigated. MIPs for selective recognition and adsorption of gossypol were synthesized via the sol⁻gel process with a surface imprinting technique on silica gel substrates. 3-aminopropyltriethoxysilane (APTES) and tetraethoxysilane (TEOS) were chosen as the functional monomer and the cross-linker. The morphology and structure of the gossypol-MIPs were characterized using Fourier transform infrared spectroscopy (FT-IR), scanning electron microscopy (SEM), and a standard Brunauer⁻Emett⁻Teller (BET) analysis. Results indicated that the surface imprinted polymer layer facilitated the removal and rebinding of the template, and thus, achieved fast binding kinetics. Compared with the MIPs prepared on irregularly shaped silica with a broad particle size distribution, the MIPs using regularly-shaped silica of uniform size showed higher imprinting factor (IF), and the MIP made with a relatively larger sized (60 μm) spherical silica, demonstrated higher adsorption capacity compared to the MIPs made with smaller sized, spherical silica. The MIP prepared with 60 μm spherically shaped silica, featured a fast adsorption kinetic of 10 min, and a saturated adsorption capacity of 204 mg·g −1 . The gossypol-MIP had higher selectivity (IF = 2.20) for gossypol over its structurally-similar analogs ellagic acid (IF = 1.13) and quercetin (IF = 1.20). The adsorption data of the MIP correlated well with the pseudo-second-order kinetic model and the Freundlich isotherm model, which implied that chemical adsorption dominated, and that multilayer adsorption occurred. Furthermore, the MIP exhibited an excellent regeneration performance, and the adsorption capacity of the MIP for gossypol only decreased by 6% after six reused cycles, indicating good application potential for selective adsorption of gossypol.

Streamflow distribution maps for the Cannon River drainage basin, southeast Minnesota, and the St. Louis River drainage basin, northeast Minnesota

USGS Publications Warehouse

Smith, Erik A.; Sanocki, Chris A.; Lorenz, David L.; Jacobsen, Katrin E.

2017-12-27

Streamflow distribution maps for the Cannon River and St. Louis River drainage basins were developed by the U.S. Geological Survey, in cooperation with the Legislative-Citizen Commission on Minnesota Resources, to illustrate relative and cumulative streamflow distributions. The Cannon River was selected to provide baseline data to assess the effects of potential surficial sand mining, and the St. Louis River was selected to determine the effects of ongoing Mesabi Iron Range mining. Each drainage basin (Cannon, St. Louis) was subdivided into nested drainage basins: the Cannon River was subdivided into 152 nested drainage basins, and the St. Louis River was subdivided into 353 nested drainage basins. For each smaller drainage basin, the estimated volumes of groundwater discharge (as base flow) and surface runoff flowing into all surface-water features were displayed under the following conditions: (1) extreme low-flow conditions, comparable to an exceedance-probability quantile of 0.95; (2) low-flow conditions, comparable to an exceedance-probability quantile of 0.90; (3) a median condition, comparable to an exceedance-probability quantile of 0.50; and (4) a high-flow condition, comparable to an exceedance-probability quantile of 0.02.Streamflow distribution maps were developed using flow-duration curve exceedance-probability quantiles in conjunction with Soil-Water-Balance model outputs; both the flow-duration curve and Soil-Water-Balance models were built upon previously published U.S. Geological Survey reports. The selected streamflow distribution maps provide a proactive water management tool for State cooperators by illustrating flow rates during a range of hydraulic conditions. Furthermore, after the nested drainage basins are highlighted in terms of surface-water flows, the streamflows can be evaluated in the context of meeting specific ecological flows under different flow regimes and potentially assist with decisions regarding groundwater and surface-water appropriations. Presented streamflow distribution maps are foundational work intended to support the development of additional streamflow distribution maps that include statistical constraints on the selected flow conditions.

The role of chemistry and pH of solid surfaces for specific adsorption of biomolecules in solution--accurate computational models and experiment.

PubMed

Heinz, Hendrik

2014-06-18

Adsorption of biomolecules and polymers to inorganic nanostructures plays a major role in the design of novel materials and therapeutics. The behavior of flexible molecules on solid surfaces at a scale of 1-1000 nm remains difficult and expensive to monitor using current laboratory techniques, while playing a critical role in energy conversion and composite materials as well as in understanding the origin of diseases. Approaches to implement key surface features and pH in molecular models of solids are explained, and distinct mechanisms of peptide recognition on metal nanostructures, silica and apatite surfaces in solution are described as illustrative examples. The influence of surface energies, specific surface features and protonation states on the structure of aqueous interfaces and selective biomolecular adsorption is found to be critical, comparable to the well-known influence of the charge state and pH of proteins and surfactants on their conformations and assembly. The representation of such details in molecular models according to experimental data and available chemical knowledge enables accurate simulations of unknown complex interfaces in atomic resolution in quantitative agreement with independent experimental measurements. In this context, the benefits of a uniform force field for all material classes and of a mineral surface structure database are discussed.

Using Selective Drainage Methods to Extract Continuous Surface Flow from 1-Meter Lidar-Derived Digital Elevation Data

USGS Publications Warehouse

Poppenga, Sandra K.; Worstell, Bruce B.; Stoker, Jason M.; Greenlee, Susan K.

2010-01-01

Digital elevation data commonly are used to extract surface flow features. One source for high-resolution elevation data is light detection and ranging (lidar). Lidar can capture a vast amount of topographic detail because of its fine-scale ability to digitally capture the surface of the earth. Because elevation is a key factor in extracting surface flow features, high-resolution lidar-derived digital elevation models (DEMs) provide the detail needed to consistently integrate hydrography with elevation, land cover, structures, and other geospatial features. The U.S. Geological Survey has developed selective drainage methods to extract continuous surface flow from high-resolution lidar-derived digital elevation data. The lidar-derived continuous surface flow network contains valuable information for water resource management involving flood hazard mapping, flood inundation, and coastal erosion. DEMs used in hydrologic applications typically are processed to remove depressions by filling them. High-resolution DEMs derived from lidar can capture much more detail of the land surface than courser elevation data. Therefore, high-resolution DEMs contain more depressions because of obstructions such as roads, railroads, and other elevated structures. The filling of these depressions can significantly affect the DEM-derived surface flow routing and terrain characteristics in an adverse way. In this report, selective draining methods that modify the elevation surface to drain a depression through an obstruction are presented. If such obstructions are not removed from the elevation data, the filling of depressions to create continuous surface flow can cause the flow to spill over an obstruction in the wrong location. Using this modified elevation surface improves the quality of derived surface flow and retains more of the true surface characteristics by correcting large filled depressions. A reliable flow surface is necessary for deriving a consistently connected drainage network, which is important in understanding surface water movement and developing applications for surface water runoff, flood inundation, and erosion. Improved methods are needed to extract continuous surface flow features from high-resolution elevation data based on lidar.

Key structure-activity relationships in the vanadium phosphorus oxide catalyst system

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

Thompson, M.R.; Ebner, J.R.

1990-04-01

The crystal structure of vanadyl pyrophosphate has been redetermined using single crystals obtained from a near solidified melt of a microcrystalline catalyst sample. Crystals that index as vanadyl pyrophosphate obtained from this melt are variable in color. Crystallographic refinement of the single crystal x-ray diffraction data indicates that structural differences among these materials can be described in terms of crystal defects associated with linear disorder of the vanadium atoms. The importance of the disorder is outlined in the context of its effect on the proposed surface topology parallel to (1,0,0). Models of the surface topology simply and intuitively account formore » the non-stoichometric surface atomic P/V ratio exhibited by selective catalysts of this phase. These models also point to the possible role of the excess phosphorus in providing site isolation of reactive centers at the surface. 33 refs., 7 figs.« less

Reaction pathways of model compounds of biomass-derived oxygenates on Fe/Ni bimetallic surfaces

NASA Astrophysics Data System (ADS)

Yu, Weiting; Chen, Jingguang G.

2015-10-01

Controlling the activity and selectivity of converting biomass-derivatives to fuels and valuable chemicals is critical for the utilization of biomass feedstocks. There are primarily three classes of non-food competing biomass, cellulose, hemicellulose and lignin. In the current work, glycolaldehyde, furfural and acetaldehyde are studied as model compounds of the three classes of biomass-derivatives. Monometallic Ni(111) and monolayer (ML) Fe/Ni(111) bimetallic surfaces are studied for the reaction pathways of the three biomass surrogates. The ML Fe/Ni(111) surface is identified as an efficient surface for the conversion of biomass-derivatives from the combined results of density functional theory (DFT) calculations and temperature programmed desorption (TPD) experiments. A correlation is also established between the optimized adsorption geometry and experimental reaction pathways. These results should provide helpful insights in catalyst design for the upgrading and conversion of biomass.

Select strengths and biases of models in representing the Arctic winter boundary layer over sea ice: the Larcform 1 single column model intercomparison

NASA Astrophysics Data System (ADS)

Pithan, Felix; Ackerman, Andrew; Angevine, Wayne M.; Hartung, Kerstin; Ickes, Luisa; Kelley, Maxwell; Medeiros, Brian; Sandu, Irina; Steeneveld, Gert-Jan; Sterk, H. A. M.; Svensson, Gunilla; Vaillancourt, Paul A.; Zadra, Ayrton

2016-09-01

Weather and climate models struggle to represent lower tropospheric temperature and moisture profiles and surface fluxes in Arctic winter, partly because they lack or misrepresent physical processes that are specific to high latitudes. Observations have revealed two preferred states of the Arctic winter boundary layer. In the cloudy state, cloud liquid water limits surface radiative cooling, and temperature inversions are weak and elevated. In the radiatively clear state, strong surface radiative cooling leads to the build-up of surface-based temperature inversions. Many large-scale models lack the cloudy state, and some substantially underestimate inversion strength in the clear state. Here, the transformation from a moist to a cold dry air mass is modeled using an idealized Lagrangian perspective. The trajectory includes both boundary layer states, and the single-column experiment is the first Lagrangian Arctic air formation experiment (Larcform 1) organized within GEWEX GASS (Global atmospheric system studies). The intercomparison reproduces the typical biases of large-scale models: some models lack the cloudy state of the boundary layer due to the representation of mixed-phase microphysics or to the interaction between micro- and macrophysics. In some models, high emissivities of ice clouds or the lack of an insulating snow layer prevent the build-up of surface-based inversions in the radiatively clear state. Models substantially disagree on the amount of cloud liquid water in the cloudy state and on turbulent heat fluxes under clear skies. Observations of air mass transformations including both boundary layer states would allow for a tighter constraint of model behavior.

Dynamical Core in Atmospheric Model Does Matter in the Simulation of Arctic Climate

NASA Astrophysics Data System (ADS)

Jun, Sang-Yoon; Choi, Suk-Jin; Kim, Baek-Min

2018-03-01

Climate models using different dynamical cores can simulate significantly different winter Arctic climates even if equipped with virtually the same physics schemes. Current climate simulated by the global climate model using cubed-sphere grid with spectral element method (SE core) exhibited significantly warmer Arctic surface air temperature compared to that using latitude-longitude grid with finite volume method core. Compared to the finite volume method core, SE core simulated additional adiabatic warming in the Arctic lower atmosphere, and this was consistent with the eddy-forced secondary circulation. Downward longwave radiation further enhanced Arctic near-surface warming with a higher surface air temperature of about 1.9 K. Furthermore, in the atmospheric response to the reduced sea ice conditions with the same physical settings, only the SE core showed a robust cooling response over North America. We emphasize that special attention is needed in selecting the dynamical core of climate models in the simulation of the Arctic climate and associated teleconnection patterns.

Expansion of the Real-Time SPoRT-Land Information System for NOAA/National Weather Service Situational Awareness and Local Modeling Applications

NASA Technical Reports Server (NTRS)

Case, Jonathan L; White, Kristopher D.

2014-01-01

The NASA Short-term Prediction Research and Transition (SPoRT) Center in Huntsville, AL is running a real-time configuration of the Noah land surface model (LSM) within the NASA Land Information System (LIS) framework (hereafter referred to as the "SPoRT-LIS"). Output from the real-time SPoRT-LIS is used for (1) initializing land surface variables for local modeling applications, and (2) displaying in decision support systems for situational awareness and drought monitoring at select NOAA/National Weather Service (NWS) partner offices. The experimental CONUS run incorporates hourly quantitative precipitation estimation (QPE) from the National Severe Storms Laboratory Multi- Radar Multi-Sensor (MRMS) which will be transitioned into operations at the National Centers for Environmental Prediction (NCEP) in Fall 2014.This paper describes the current and experimental SPoRT-LIS configurations, and documents some of the limitations still remaining through the advent of MRMS precipitation analyses in the SPoRT-LIS land surface model (LSM) simulations.

Multipath modeling for aeronautical communications.

NASA Technical Reports Server (NTRS)

Painter, J. H.; Gupta, S. C.; Wilson, L. R.

1973-01-01

One of the fundamental technical problems in aeronautical digital communications is that of multipath propagation between aircraft and ground terminal. This paper examines in detail a model of the received multipath signal that is useful for application of modern detection and estimation theories. The model treats arbitrary modulation and covers the selective and nonselective cases. The necessarily nonstationary statistics of the received signal are determined from the link geometry and the surface roughness parameters via a Kirchhoff solution.

A novel ultrasound-guided shoulder arthroscopic surgery

NASA Astrophysics Data System (ADS)

Tyryshkin, K.; Mousavi, P.; Beek, M.; Chen, T.; Pichora, D.; Abolmaesumi, P.

2006-03-01

This paper presents a novel ultrasound-guided computer system for arthroscopic surgery of the shoulder joint. Intraoperatively, the system tracks and displays the surgical instruments, such as arthroscope and arthroscopic burrs, relative to the anatomy of the patient. The purpose of this system is to improve the surgeon's perception of the three-dimensional space within the anatomy of the patient in which the instruments are manipulated and to provide guidance towards the targeted anatomy. Pre-operatively, computed tomography images of the patient are acquired to construct virtual threedimensional surface models of the shoulder bone structure. Intra-operatively, live ultrasound images of pre-selected regions of the shoulder are captured using an ultrasound probe whose three-dimensional position is tracked by an optical camera. These images are used to register the surface model to the anatomy of the patient in the operating room. An initial alignment is obtained by matching at least three points manually selected on the model to their corresponding points identified on the ultrasound images. The registration is then improved with an iterative closest point or a sequential least squares estimation technique. In the present study the registration results of these techniques are compared. After the registration, surgical instruments are displayed relative to the surface model of the patient on a graphical screen visible to the surgeon. Results of laboratory experiments on a shoulder phantom indicate acceptable registration results and sufficiently fast overall system performance to be applicable in the operating room.

Hydrogeology and simulation of ground-water flow and land-surface subsidence in the northern part of the Gulf Coast aquifer system, Texas

USGS Publications Warehouse

Kasmarek, Mark C.; Robinson, James L.

2004-01-01

As a part of the Texas Water Development Board Ground- Water Availability Modeling program, the U.S. Geological Survey developed and tested a numerical finite-difference (MODFLOW) model to simulate ground-water flow and land-surface subsidence in the northern part of the Gulf Coast aquifer system in Texas from predevelopment (before 1891) through 2000. The model is intended to be a tool that water-resource managers can use to address future ground-water-availability issues.From land surface downward, the Chicot aquifer, the Evangeline aquifer, the Burkeville confining unit, the Jasper aquifer, and the Catahoula confining unit are the hydrogeologic units of the Gulf Coast aquifer system. Withdrawals of large quantities of ground water have resulted in potentiometric surface (head) declines in the Chicot, Evangeline, and Jasper aquifers and land-surface subsidence (primarily in the Houston area) from depressurization and compaction of clay layers interbedded in the aquifer sediments. In a generalized conceptual model of the aquifer system, water enters the ground-waterflow system in topographically high outcrops of the hydrogeologic units in the northwestern part of the approximately 25,000-square-mile model area. Water that does not discharge to streams flows to intermediate and deep zones of the system southeastward of the outcrop areas where it is discharged by wells and by upward leakage in topographically low areas near the coast. The uppermost parts of the aquifer system, which include outcrop areas, are under water-table conditions. As depth increases in the aquifer system and as interbedded sand and clay accumulate, water-table conditions evolve into confined conditions.The model comprises four layers, one for each of the hydrogeologic units of the aquifer system except the Catahoula confining unit, the assumed no-flow base of the system. Each layer consists of 137 rows and 245 columns of uniformly spaced grid blocks, each block representing 1 square mile. Lateral no-flow boundaries were located on the basis of outcrop extent (northwestern), major streams (southwestern, northeastern), and downdip limit of freshwater (southeastern). The MODFLOW general-head boundary package was used to simulate recharge and discharge in the outcrops of the hydrogeologic units. Simulation of land-surface subsidence (actually, compaction of clays) and release of water from storage in the clays of the Chicot and Evangeline aquifers was accomplished using the Interbed-Storage Package designed for use with the MODFLOW model. The model was calibrated by trial-anderror adjustment of selected model input data in a series of transient simulations until the model output (potentiometric surfaces, land-surface subsidence, and selected water-budget components) reasonably reproduced field measured (or estimated) aquifer responses.Model calibration comprised four elements: The first was qualitative comparison of simulated and measured heads in the aquifers for 1977 and 2000; and quantitative comparison by computation and areal distribution of the root-mean-square error between simulated and measured heads. The second calibration element was comparison of simulated and measured hydrographs from wells in the aquifers in a number of counties throughout the modeled area. The third calibration element was comparison of simulated water-budget componentsprimarily recharge and dischargeto estimates of physically reasonable ranges of actual water-budget components. The fourth calibration element was comparison of simulated land-surface subsidence from predevelopment to 2000 to measured land surface subsidence from 1906 through 1995.

On the factors affecting porosity dissolution in selective laser sintering process

NASA Astrophysics Data System (ADS)

Ly, H.-B.; Monteiro, E.; Dal, M.; Regnier, G.

2018-05-01

Selective Laser Sintering process is one of the additive manufacturing techniques in which parts are manufactured layer by layer. During such process, gas bubbles are formed in the melted polymer due to faster polymer grains coalescence at surface than deeper in the powder bed. Although gas diffusion is possible through the polymer melt, it's usual that some porosities remain in the final part if their initial sizes are too big and solidification time too short. In this contribution, a bubble dissolution model involving fluid dynamics and mass transport has been developed to study factors affecting porosity resorption kinetic. In this model, gas diffusion follows Fick's laws and the melted polymer is supposed Newtonian. At the polymer/gas interface, surface tension is considered and Henry's law is used to relate the partial pressure of gas with its concentration in the fluid. This problem is solved numerically by means of the finite element method in 1D. After validation of the numerical tool, the influence on dissolution time of several parameters (e.g. the initial size and form of gas porosities, the viscosity, the diffusion coefficient, the surface tension constant or the ambient pressure) has been examined.

Adsorption of 1-naphthyl methyl carbamate in water by utilizing a surface molecularly imprinted polymer

NASA Astrophysics Data System (ADS)

So, Juhyok; Pang, Cholho; Dong, Hongxing; Jang, Paeksan; U, Juhyok; Ri, Kumchol; Yun, Cholyong

2018-05-01

Surface molecularly imprinting polymer (SMIP) was utilized in the removal of a residual pesticide (carbaryl (CBL)) in water and simulated fruit juice. Being the crosslinking agent, ethylene glycol dimethacrylate (EGDMA) was copolymerized with the monomer, methacrylic acid (MAA) and CBL as the template molecules on the surface of the silica gel particles to produce the SMIP adsorbents. The SMIP adsorbents showed good selectivity and good adsorption capacity for CBL in the competitive adsorptions with two structurally related carbamate pesticides. The effect of the pretreatment solvents on the adsorption capacity of the SMIP adsorbent was investigated with the results of the numerical simulations. The adsorption isotherms and the adsorption kinetics were well described by the Freundlich equilibrium model and the pseudo-second-order kinetic model, respectively. Scatchard plot analysis revealed that there were two classes of binding sites populated in the SMIP adsorbents. In addition, the good selective adsorption of CBL by the SMIP adsorbent in a simulated fruit juice containing vitamin C and fructose indicated the great potential of the SMIP adsorbents to remove residual pesticide in food industry and processing industry for agricultural products.

Biolayer modeling and optimization for the SPARROW biosensor

NASA Astrophysics Data System (ADS)

Feng, Ke

2007-12-01

Biosensor direct detection of molecular binding events is of significant interest in applications from molecular screening for cancer drug design to bioagent detection for homeland security and defense. The Stacked Planar Affinity Regulated Resonant Optical Waveguide (SPARROW) structure based on coupled waveguides was recently developed to achieve increased sensitivity within a fieldable biosensor device configuration. Under ideal operating conditions, modification of the effective propagation constant of the structure's sensing waveguide through selective attachment of specific targets to probes on the waveguide surface results in a change in the coupling characteristics of the guide over a specifically designed interaction length with the analyte. Monitoring the relative power in each waveguide after interaction enables 'recognition' of those targets which have selectively bound to the surface. However, fabrication tolerances, waveguide interface roughness, biolayer surface roughness and biolayer partial coverage have an effect on biosensor behavior and achievable limit of detection (LOD). In addition to these influences which play a role in device optimization, the influence of the spatially random surface loading of molecular binding events has to be considered, especially for low surface coverage. In this dissertation an analytic model is established for the SPARROW biosensor which accounts for these nonidealities with which the design of the biosensor can be guided and optimized. For the idealized case of uniform waveguide transducer layers and biolayer, both theoretical simulation (analytical expression) and computer simulation (numerical calculation) are completed. For the nonideal case of an inhomogeneous transducer with nonideal waveguide and biolayer surfaces, device output power is affected by such physical influences as surface scattering, coupling length, absorption, and percent coverage of binding events. Using grating and perturbation techniques we explore the influence of imperfect surfaces and random surface loading on scattering loss and coupling length. Results provide a range of achievable limits of detection in the SPARROW device for a given target size, surface loading, and detectable optical power.

Characterizing a porous road pavement using surface impedance measurement: a guided numerical inversion procedure.

PubMed

Benoit, Gaëlle; Heinkélé, Christophe; Gourdon, Emmanuel

2013-12-01

This paper deals with a numerical procedure to identify the acoustical parameters of road pavement from surface impedance measurements. This procedure comprises three steps. First, a suitable equivalent fluid model for the acoustical properties porous media is chosen, the variation ranges for the model parameters are set, and a sensitivity analysis for this model is performed. Second, this model is used in the parameter inversion process, which is performed with simulated annealing in a selected frequency range. Third, the sensitivity analysis and inversion process are repeated to estimate each parameter in turn. This approach is tested on data obtained for porous bituminous concrete and using the Zwikker and Kosten equivalent fluid model. This work provides a good foundation for the development of non-destructive in situ methods for the acoustical characterization of road pavements.

A feature-based approach to modeling protein-protein interaction hot spots.

PubMed

Cho, Kyu-il; Kim, Dongsup; Lee, Doheon

2009-05-01

Identifying features that effectively represent the energetic contribution of an individual interface residue to the interactions between proteins remains problematic. Here, we present several new features and show that they are more effective than conventional features. By combining the proposed features with conventional features, we develop a predictive model for interaction hot spots. Initially, 54 multifaceted features, composed of different levels of information including structure, sequence and molecular interaction information, are quantified. Then, to identify the best subset of features for predicting hot spots, feature selection is performed using a decision tree. Based on the selected features, a predictive model for hot spots is created using support vector machine (SVM) and tested on an independent test set. Our model shows better overall predictive accuracy than previous methods such as the alanine scanning methods Robetta and FOLDEF, and the knowledge-based method KFC. Subsequent analysis yields several findings about hot spots. As expected, hot spots have a larger relative surface area burial and are more hydrophobic than other residues. Unexpectedly, however, residue conservation displays a rather complicated tendency depending on the types of protein complexes, indicating that this feature is not good for identifying hot spots. Of the selected features, the weighted atomic packing density, relative surface area burial and weighted hydrophobicity are the top 3, with the weighted atomic packing density proving to be the most effective feature for predicting hot spots. Notably, we find that hot spots are closely related to pi-related interactions, especially pi . . . pi interactions.

Electrical passivation of nonselective bio molecules in carbon nanotubes: Effect of pulse train in serum

NASA Astrophysics Data System (ADS)

Kim, Seok Hyang; Woo, Jun-Myung; Choi, Seongwook; Park, Young June

2015-06-01

We present an experimental and simulation study about a desorption of albumin, a representative nonselective molecules in serum, on carbon nanotube (CNT) surface as an electrical bio sensing channel under the pulse train condition. The motivation of the study on binding kinetics between CNT surface and albumin is to suppress the adsorption of nonselective proteins in blood such as albumin, thereby enhancing the selectivity of the electrical biosensor. To theoretically model the behavior of molecules and ions under the step pulse bias, the physics on the reaction rate, mass transport, and the resulting surface pH-value are considered using the Poisson and drift-diffusion equations. For the simulation model, the phosphate buffered saline is considered as the electrolyte solution and albumin is considered as a representative charged molecule for nonspecific binding in serum. Both the transient simulation and experimental result indicate that the suppression of the nonspecific binding under the pulse train is due to the unsymmetrical field force experienced by the protein during the pulse transitions (high to low and low to high) and the non-symmetry is caused by the different transient times between the electric field and the charge/discharge of the protein according to the surface pH modulation in serum. The experimental and simulation results clearly indicate that the pulse bias suppresses the nonselective bio molecules adsorption at the CNT surface so that the selectivity of the electrical biosensor for detecting the target molecules can be enhanced.

Ca/Na selectivity coefficients from the Poisson-Boltzmann theory

NASA Astrophysics Data System (ADS)

Hedström, Magnus; Karnland, Ola

As a model for ion equilibrium in montmorillonite, the Poisson-Boltzmann (PB) equation was solved for two parallel charged surfaces in contact with an external NaCl/CaCl 2 mixed solution. The ion concentration profiles in the montmorillonite interlayer were obtained from the PB equation and integration of those gave the occupancy of Na + and Ca 2+ in the clay. That information together with the composition of the external electrolyte were then used for the calculation of the Gaines-Thomas selectivity coefficient K GT. The predictions from the model were compared to experimental data from batch as well as compacted conditions, and the agreement was generally good. With a surface layer-charge density of one unit charge per 145 Å 2, which is close to the value for Wyoming-type montmorillonite, the calculated selectivity coefficients were found to vary from about 4 in batch to 8 in compacted montmorillonite with dry density ∼1700 kg/m 3. From the point of view of assessing the evolution, with regard to sodium-calcium ion exchange, of the bentonite buffer in a repository for spent nuclear fuel, these results justify the use of data obtained in batch experiments.

Effect of Inhibition of Deoxyribonucleic Acid and Protein Synthesis on the Direction of Cell Wall Growth in Streptococcus faecalis

PubMed Central

Higgins, M. L.; Daneo-Moore, L.; Boothby, D.; Shockman, G. D.

1974-01-01

Selective inhibition of protein synthesis in Streptococcus faecalis (ATCC 9790) was accompanied by a rapid and severe inhibition of cell division and a reduction of enlargement of cellular surface area. Continued synthesis of cell wall polymers resulted in rapid thickening of the wall to an extent not seen in exponential-phase populations. Thus, the normal direction of wall growth was changed from a preferential feeding out of new wall surface to that of thickening existing cell surfaces. However, the overall manner in which the wall thickened, from nascent septa toward polar regions, was the same in both exponential-phase and inhibited populations. In contrast, selective inhibition of deoxyribonucleic acid (DNA) synthesis using mitomycin C was accompanied by an increase in cellular surface area and by division of about 80% of the cells in random populations. Little or no wall thickening was observed until the synthesis of macromolecules other than DNA was impaired and further cell division ceased. Concomitant inhibition of both DNA and protein synthesis inhibited cell division but permitted an increase in average cell volume. In such doubly inhibited cells, walls thickened less than in cells inhibited for protein synthesis only. On the basis of the results obtained, a model for cell surface enlargement and cell division is presented. The model proposes that: (i) each wall enlargement site is influenced by an individual chromosome replication cycle; (ii) during chromosome replication peripheral surface enlargement would be favored over thickening (or septation); (iii) a signal associated with chromosome termination would favor thickening (and septation) at the expense of surface enlargement; and (iv) a factor or signal related to protein synthesis would be required for one or more of the near terminal stages of cell division or cell separation, or both. Images PMID:4133352

An Innovative Structural Mode Selection Methodology: Application for the X-33 Launch Vehicle Finite Element Model

NASA Technical Reports Server (NTRS)

Hidalgo, Homero, Jr.

2000-01-01

An innovative methodology for determining structural target mode selection and mode selection based on a specific criterion is presented. An effective approach to single out modes which interact with specific locations on a structure has been developed for the X-33 Launch Vehicle Finite Element Model (FEM). We presented Root-Sum-Square (RSS) displacement method computes resultant modal displacement for each mode at selected degrees of freedom (DOF) and sorts to locate modes with highest values. This method was used to determine modes, which most influenced specific locations/points on the X-33 flight vehicle such as avionics control components, aero-surface control actuators, propellant valve and engine points for use in flight control stability analysis and for flight POGO stability analysis. Additionally, the modal RSS method allows for primary or global target vehicle modes to also be identified in an accurate and efficient manner.

Sparse Bayesian Learning for Identifying Imaging Biomarkers in AD Prediction

PubMed Central

Shen, Li; Qi, Yuan; Kim, Sungeun; Nho, Kwangsik; Wan, Jing; Risacher, Shannon L.; Saykin, Andrew J.

2010-01-01

We apply sparse Bayesian learning methods, automatic relevance determination (ARD) and predictive ARD (PARD), to Alzheimer’s disease (AD) classification to make accurate prediction and identify critical imaging markers relevant to AD at the same time. ARD is one of the most successful Bayesian feature selection methods. PARD is a powerful Bayesian feature selection method, and provides sparse models that is easy to interpret. PARD selects the model with the best estimate of the predictive performance instead of choosing the one with the largest marginal model likelihood. Comparative study with support vector machine (SVM) shows that ARD/PARD in general outperform SVM in terms of prediction accuracy. Additional comparison with surface-based general linear model (GLM) analysis shows that regions with strongest signals are identified by both GLM and ARD/PARD. While GLM P-map returns significant regions all over the cortex, ARD/PARD provide a small number of relevant and meaningful imaging markers with predictive power, including both cortical and subcortical measures. PMID:20879451

Analysis and design of a capsule landing system and surface vehicle control system for Mars exporation

NASA Technical Reports Server (NTRS)

Frederick, D. K.; Lashmet, P. K.; Sandor, G. N.; Shen, C. N.; Smith, E. J.; Yerazunis, S. W.

1972-01-01

The problems related to the design and control of a mobile planetary vehicle to implement a systematic plan for the exploration of Mars were investigated. Problem areas receiving attention include: vehicle configuration, control, dynamics, systems and propulsion; systems analysis; navigation, terrain modeling and path selection; and chemical analysis of specimens. The following specific tasks were studied: vehicle model design, mathematical modeling of dynamic vehicle, experimental vehicle dynamics, obstacle negotiation, electromechanical controls, collapsibility and deployment, construction of a wheel tester, wheel analysis, payload design, system design optimization, effect of design assumptions, accessory optimal design, on-board computer subsystem, laser range measurement, discrete obstacle detection, obstacle detection systems, terrain modeling, path selection system simulation and evaluation, gas chromatograph/mass spectrometer system concepts, chromatograph model evaluation and improvement and transport parameter evaluation.

Analysis and design of a capsule landing system and surface vehicle control system for Mars exploration

NASA Technical Reports Server (NTRS)

Frederick, D. K.; Lashmet, P. K.; Sandor, G. N.; Shen, C. N.; Smith, E. J.; Yerazunis, S. W.

1972-01-01

Investigation of problems related to the design and control of a mobile planetary vehicle to implement a systematic plan for the exploration of Mars has been undertaken. Problem areas receiving attention include: vehicle configuration, control, dynamics, systems and propulsion; systems analysis; terrain modeling and path selection; and chemical analysis of specimens. The following specific tasks have been under study: vehicle model design, mathematical modeling of a dynamic vehicle, experimental vehicle dynamics, obstacle negotiation, electromechanical controls, collapsibility and deployment, construction of a wheel tester, wheel analysis, payload design, system design optimization, effect of design assumptions, accessory optimal design, on-board computer sybsystem, laser range measurement, discrete obstacle detection, obstacle detection systems, terrain modeling, path selection system simulation and evaluation, gas chromatograph/mass spectrometer system concepts, chromatograph model evaluation and improvement.

First-principles study of low Miller index Ni3S2 surfaces in hydrotreating conditions.

PubMed

Aray, Yosslen; Vega, David; Rodriguez, Jesus; Vidal, Alba B; Grillo, Maria Elena; Coll, Santiago

2009-03-12

Density functional theory (DFT) calculations combined with surface thermodynamic arguments and the Gibbs-Curie-Wulff equilibrium morphology formalism have been employed to explore the effect of the reaction conditions, temperature (T), and gas-phase partial pressures (PH2 and PH2S) on the stability of nickel sulfide (Ni3S2) surfaces. Furthermore, the strength and nature of chemical bonds for selected Ni3S2 surface cuts were investigated with the quantum theory of atoms in molecules methodology. A particular analysis of the electrostatic potential within this theoretical framework is performed to study the potential activity of nickel sulfide nanoparticles as hydrodesulfurization (HDS) catalysts. The calculated thermodynamic surface stabilities and the resulting equilibrium morphology model suggest that unsupported Ni3S2 nanoparticles mainly expose (111) and (111) type surface faces in HDS conditions. Analysis of the electrostatic potential mapped onto a selected electron density isocontour (0.001 au) on those expose surface reveals a poor potential reactivity toward electron-donating reagents (i.e., low Lewis acidity). Consequently, a very low attraction between coordinatively unsaturated active sites (Lewis sites) exposed at the catalytic particles and the S atoms coming from reagent polluting molecules does inactive these kinds of particles for HDS.

A new mosaic method for three-dimensional surface

NASA Astrophysics Data System (ADS)

Yuan, Yun; Zhu, Zhaokun; Ding, Yongjun

2011-08-01

Three-dimensional (3-D) data mosaic is a indispensable link in surface measurement and digital terrain map generation. With respect to the mosaic problem of the local unorganized cloud points with rude registration and mass mismatched points, a new mosaic method for 3-D surface based on RANSAC is proposed. Every circular of this method is processed sequentially by random sample with additional shape constraint, data normalization of cloud points, absolute orientation, data denormalization of cloud points, inlier number statistic, etc. After N random sample trials the largest consensus set is selected, and at last the model is re-estimated using all the points in the selected subset. The minimal subset is composed of three non-colinear points which form a triangle. The shape of triangle is considered in random sample selection in order to make the sample selection reasonable. A new coordinate system transformation algorithm presented in this paper is used to avoid the singularity. The whole rotation transformation between the two coordinate systems can be solved by twice rotations expressed by Euler angle vector, each rotation has explicit physical means. Both simulation and real data are used to prove the correctness and validity of this mosaic method. This method has better noise immunity due to its robust estimation property, and has high accuracy as the shape constraint is added to random sample and the data normalization added to the absolute orientation. This method is applicable for high precision measurement of three-dimensional surface and also for the 3-D terrain mosaic.

Selective Improvement of NO2 Gas Sensing Behavior in SnO2 Nanowires by Ion-Beam Irradiation.

PubMed

Kwon, Yong Jung; Kang, Sung Yong; Wu, Ping; Peng, Yuan; Kim, Sang Sub; Kim, Hyoun Woo

2016-06-01

We irradiated SnO2 nanowires with He ions (45 MeV) with different ion fluences. Structure and morphology of the SnO2 nanowires did not undergo noticeable changes upon ion-beam irradiation. Chemical equilibrium in SnO2/gas systems was calculated from thermodynamic principles, which were used to study the sensing selectivity of the tested gases, demonstrating the selective sensitivity of the SnO2 surface to NO2 gas. Being different from other gases, including H2, ethanol, acetone, SO2, and NH3, the sensor response to NO2 gas significantly increases as the ion fluence increases, showing a maximum under an ion fluence of 1 × 10(16) ions/cm(2). Photoluminescence analysis shows that the relative intensity of the peak at 2.1 eV to the peak at 2.5 eV increases upon ion-beam irradiation, suggesting that structural defects and/or tin interstitials have been generated. X-ray photoelectron spectroscopy indicated that the ionic ratio of Sn(2+/)Sn(4+) increases by the ion-beam irradiation, supporting the formation of surface Sn interstitials. Using thermodynamic calculations, we explained the observed selective sensing behavior. A molecular level model was also established for the adsorption of NO2 on ion-irradiated SnO2 (110) surfaces. We propose that the adsorption of NO2-related species is considerably enhanced by the generation of surface defects that are comprised of Sn interstitials.

Analysis of ground reflection of jet noise obtained with various microphone arrays over an asphalt surface

NASA Technical Reports Server (NTRS)

Miles, J. H.

1975-01-01

Ground reflection effects on the propagation of jet noise over an asphalt surface are discussed for data obtained using a 33.02-cm diameter nozzle with microphones at several heights and distances from the nozzle axis. Ground reflection effects are analyzed using the concept of a reflected signal transfer function which represents the influence of both the reflecting surface and the atmosphere on the propagation of the reflected signal in a mathematical model. The mathematical model used as a basis for the computer program was successful in significantly reducing the ground reflection effects. The range of values of the single complex number used to define the reflected signal transfer function was larger than expected when determined only by the asphalt surface. This may indicate that the atmosphere is affecting the propagation of the reflected signal more than the asphalt surface. The selective placement of the reinforcements and cancellations in the design of an experiment to minimize ground reflection effects is also discussed.

Analysis of ground reflection of jet noise obtained with various microphone arrays over an asphalt surface

NASA Technical Reports Server (NTRS)

Miles, J. H.

1975-01-01

Ground reflection effects on the propagation of jet noise over an asphalt surface are discussed for data obtained using a 33.02 cm (13-in.) diameter nozzle with microphones at several heights and distances from the nozzle axis. Analysis of ground reflection effects is accomplished using the concept of a reflected signal transfer function which represents the influence of both the reflecting surface and the atmosphere on the propagation of the reflected signal in a mathematical model. The mathematical model used as a basis for the computer program was successful in significantly reducing the ground reflection effects. The range of values of the single complex number used to define the reflected signal transfer function was larger than expected when determined only by the asphalt surface. This may indicate that the atmosphere is affecting the propagation of the reflected signal more than the asphalt surface. Also discussed is the selective placement of the reinforcements and cancellations in the design of an experiment to minimize ground reflection effects.

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

Modeling electrokinetics in ionic liquids: General

DOE PAGES

Wang, Chao; Bao, Jie; Pan, Wenxiao; ...

2017-04-01

Using direct numerical simulations, we provide a thorough study regarding the electrokinetics of ionic liquids. In particular, modified Poisson–Nernst–Planck equations are solved to capture the crowding and overscreening effects characteristic of an ionic liquid. For modeling electrokinetic flows in an ionic liquid, the modified Poisson-Nernst-Planck equations are coupled with Navier–Stokes equations to study the coupling of ion transport, hydrodynamics, and electrostatic forces. Specifically, we consider the ion transport between two parallel charged surfaces, charging dynamics in a nanopore, capacitance of electric double-layer capacitors, electroosmotic flow in a nanochannel, electroconvective instability on a plane ion-selective surface, and electroconvective flow on amore » curved ionselective surface. Lastly, we also discuss how crowding and overscreening and their interplay affect the electrokinetic behaviors of ionic liquids in these application problems.« less

Kinetic mechanism for modeling of electrochemical reactions.

PubMed

Cervenka, Petr; Hrdlička, Jiří; Přibyl, Michal; Snita, Dalimil

2012-04-01

We propose a kinetic mechanism of electrochemical interactions. We assume fast formation and recombination of electron donors D- and acceptors A+ on electrode surfaces. These mediators are continuously formed in the electrode matter by thermal fluctuations. The mediators D- and A+, chemically equivalent to the electrode metal, enter electrochemical interactions on the electrode surfaces. Electrochemical dynamics and current-voltage characteristics of a selected electrochemical system are studied. Our results are in good qualitative agreement with those given by the classical Butler-Volmer kinetics. The proposed model can be used to study fast electrochemical processes in microsystems and nanosystems that are often out of the thermal equilibrium. Moreover, the kinetic mechanism operates only with the surface concentrations of chemical reactants and local electric potentials, which facilitates the study of electrochemical systems with indefinable bulk.

Habitat of calling blue and fin whales in the Southern California Bight

NASA Astrophysics Data System (ADS)

Sirovic, A.; Chou, E.; Roch, M. A.

2016-02-01

Northeast Pacific blue whale B calls and fin whale 20 Hz calls were detected from passive acoustic data collected over seven years at 16 sites in the Southern California Bight (SCB). Calling blue whales were most common in the coastal areas, during the summer and fall months. Fin whales began calling in fall and continued through winter, in the southcentral SCB. These data were used to develop habitat models of calling blue and fin whales in areas of high and low abundance in the SCB, using remotely sensed variables such as sea surface temperature, sea surface height, chlorophyll a, and primary productivity as model covariates. A random forest framework was used for variable selection and generalized additive models were developed to explain functional relationships, evaluate relative contribution of each significant variable, and investigate predictive abilities of models of calling whales. Seasonal component was an important feature of all models. Additionally, areas of high calling blue and fin whale abundance both had a positive relationship with the sea surface temperature. In areas of lower abundance, chlorophyll a concentration and primary productivity were important variables for blue whale models and sea surface height and primary productivity were significant covariates in fin whale models. Predictive models were generally better for predicting general trends than absolute values, but there was a large degree of variation in year-to-year predictability across different sites.

Sorption of trivalent lanthanides and actinides onto montmorillonite: Macroscopic, thermodynamic and structural evidence for ternary hydroxo and carbonato surface complexes on multiple sorption sites.

PubMed

Fernandes, M Marques; Scheinost, A C; Baeyens, B

2016-08-01

The credibility of long-term safety assessments of radioactive waste repositories may be greatly enhanced by a molecular level understanding of the sorption processes onto individual minerals present in the near- and far-fields. In this study we couple macroscopic sorption experiments to surface complexation modelling and spectroscopic investigations, including extended X-ray absorption fine structure (EXAFS) and time-resolved laser fluorescence spectroscopies (TRLFS), to elucidate the uptake mechanism of trivalent lanthanides and actinides (Ln/An(III)) by montmorillonite in the absence and presence of dissolved carbonate. Based on the experimental sorption isotherms for the carbonate-free system, the previously developed 2 site protolysis non electrostatic surface complexation and cation exchange (2SPNE SC/CE) model needed to be complemented with an additional surface complexation reaction onto weak sites. The fitting of sorption isotherms in the presence of carbonate required refinement of the previously published model by reducing the strong site capacity and by adding the formation of Ln/An(III)-carbonato complexes both on strong and weak sites. EXAFS spectra of selected Am samples and TRLFS spectra of selected Cm samples corroborate the model assumptions by showing the existence of different surface complexation sites and evidencing the formation of Ln/An(III) carbonate surface complexes. In the absence of carbonate and at low loadings, Ln/An(III) form strong inner-sphere complexes through binding to three Al(O,OH)6 octahedra, most likely by occupying vacant sites in the octahedral layers of montmorillonite, which are exposed on {010} and {110} edge faces. At higher loadings, Ln/An(III) binds to only one Al octahedron, forming a weaker, edge-sharing surface complex. In the presence of carbonate, we identified a ternary mono- or dicarbonato Ln/An(III) complex binding directly to one Al(O,OH)6 octahedron, revealing that type-A ternary complexes form with the one or two carbonate groups pointing away from the surface into the solution phase. Within the spectroscopically observable concentration range these complexes could only be identified on the weak sites, in line with the small strong site capacity suggested by the refined sorption model. When the solubility of carbonates was exceeded, formation of an Am carbonate hydroxide could be identified. The excellent agreement between the thermodynamic model parameters obtained by fitting the macroscopic data, and the spectroscopically identified mechanisms, demonstrates the mature state of the 2SPNE SC/CE model for predicting and quantifying the retention of Ln/An(III) elements by montmorillonite-rich clay rocks. Copyright © 2016 Elsevier Ltd. All rights reserved.

Particle compositions with a pre-selected cell internalization mode

NASA Technical Reports Server (NTRS)

Ferrari, Mauro (Inventor); Decuzzi, Paolo (Inventor)

2012-01-01

A method of formulating a particle composition having a pre-selected cell internalization mode involves selecting a target cell having surface receptors and obtaining particles that have i) surface moieties, that have an affinity for or are capable of binding to the surface receptors of the cell and ii) a preselected shape, where a surface distribution of the surface moieties on the particles and the shape of the particles are effective for the pre-selected cell internalization mode.

Parana Basin Structure from Multi-Objective Inversion of Surface Wave and Receiver Function by Competent Genetic Algorithm

NASA Astrophysics Data System (ADS)

An, M.; Assumpcao, M.

2003-12-01

The joint inversion of receiver function and surface wave is an effective way to diminish the influences of the strong tradeoff among parameters and the different sensitivity to the model parameters in their respective inversions, but the inversion problem becomes more complex. Multi-objective problems can be much more complicated than single-objective inversion in the model selection and optimization. If objectives are involved and conflicting, models can be ordered only partially. In this case, Pareto-optimal preference should be used to select solutions. On the other hand, the inversion to get only a few optimal solutions can not deal properly with the strong tradeoff between parameters, the uncertainties in the observation, the geophysical complexities and even the incompetency of the inversion technique. The effective way is to retrieve the geophysical information statistically from many acceptable solutions, which requires more competent global algorithms. Competent genetic algorithms recently proposed are far superior to the conventional genetic algorithm and can solve hard problems quickly, reliably and accurately. In this work we used one of competent genetic algorithms, Bayesian Optimization Algorithm as the main inverse procedure. This algorithm uses Bayesian networks to draw out inherited information and can use Pareto-optimal preference in the inversion. With this algorithm, the lithospheric structure of Paran"› basin is inverted to fit both the observations of inter-station surface wave dispersion and receiver function.

Targeted Proteomics and Absolute Protein Quantification for the Construction of a Stoichiometric Host-Pathogen Surface Density Model.

PubMed

Sjöholm, Kristoffer; Kilsgård, Ola; Teleman, Johan; Happonen, Lotta; Malmström, Lars; Malmström, Johan

2017-04-01

Sepsis is a systemic immune response responsible for considerable morbidity and mortality. Molecular modeling of host-pathogen interactions in the disease state represents a promising strategy to define molecular events of importance for the transition from superficial to invasive infectious diseases. Here we used the Gram-positive bacterium Streptococcus pyogenes as a model system to establish a mass spectrometry based workflow for the construction of a stoichiometric surface density model between the S. pyogenes surface, the surface virulence factor M-protein, and adhered human blood plasma proteins. The workflow relies on stable isotope labeled reference peptides and selected reaction monitoring mass spectrometry analysis of a wild-type strain and an M-protein deficient mutant strain, to generate absolutely quantified protein stoichiometry ratios between S. pyogenes and interacting plasma proteins. The stoichiometry ratios in combination with a novel targeted mass spectrometry method to measure cell numbers enabled the construction of a stoichiometric surface density model using protein structures available from the protein data bank. The model outlines the topology and density of the host-pathogen protein interaction network on the S. pyogenes bacterial surface, revealing a dense and highly organized protein interaction network. Removal of the M-protein from S. pyogenes introduces a drastic change in the network topology, validated by electron microscopy. We propose that the stoichiometric surface density model of S. pyogenes in human blood plasma represents a scalable framework that can continuously be refined with the emergence of new results. Future integration of new results will improve the understanding of protein-protein interactions and their importance for bacterial virulence. Furthermore, we anticipate that the general properties of the developed workflow will facilitate the production of stoichiometric surface density models for other types of host-pathogen interactions. © 2017 by The American Society for Biochemistry and Molecular Biology, Inc.

Selection of Worst-Case Pesticide Leaching Scenarios for Pesticide Registration

NASA Astrophysics Data System (ADS)

Vereecken, H.; Tiktak, A.; Boesten, J.; Vanderborght, J.

2010-12-01

The use of pesticides, fertilizers and manure in intensive agriculture may have a negative impact on the quality of ground- and surface water resources. Legislative action has been undertaken in many countries to protect surface and groundwater resources from contamination by surface applied agrochemicals. Of particular concern are pesticides. The registration procedure plays an important role in the regulation of pesticide use in the European Union. In order to register a certain pesticide use, the notifier needs to prove that the use does not entail a risk of groundwater contamination. Therefore, leaching concentrations of the pesticide need to be assessed using model simulations for so called worst-case scenarios. In the current procedure, a worst-case scenario represents a parameterized pesticide fate model for a certain soil and a certain time series of weather conditions that tries to represent all relevant processes such as transient water flow, root water uptake, pesticide transport, sorption, decay and volatilisation as accurate as possible. Since this model has been parameterized for only one soil and weather time series, it is uncertain whether it represents a worst-case condition for a certain pesticide use. We discuss an alternative approach that uses a simpler model that requires less detailed information about the soil and weather conditions but still represents the effect of soil and climate on pesticide leaching using information that is available for the entire European Union. A comparison between the two approaches demonstrates that the higher precision that the detailed model provides for the prediction of pesticide leaching at a certain site is counteracted by its smaller accuracy to represent a worst case condition. The simpler model predicts leaching concentrations less precise at a certain site but has a complete coverage of the area so that it selects a worst-case condition more accurately.

Using diurnal temperature signals to infer vertical groundwater-surface water exchange

USGS Publications Warehouse

Irvine, Dylan J.; Briggs, Martin A.; Lautz, Laura K.; Gordon, Ryan P.; McKenzie, Jeffrey M.; Cartwright, Ian

2017-01-01

Heat is a powerful tracer to quantify fluid exchange between surface water and groundwater. Temperature time series can be used to estimate pore water fluid flux, and techniques can be employed to extend these estimates to produce detailed plan-view flux maps. Key advantages of heat tracing include cost-effective sensors and ease of data collection and interpretation, without the need for expensive and time-consuming laboratory analyses or induced tracers. While the collection of temperature data in saturated sediments is relatively straightforward, several factors influence the reliability of flux estimates that are based on time series analysis (diurnal signals) of recorded temperatures. Sensor resolution and deployment are particularly important in obtaining robust flux estimates in upwelling conditions. Also, processing temperature time series data involves a sequence of complex steps, including filtering temperature signals, selection of appropriate thermal parameters, and selection of the optimal analytical solution for modeling. This review provides a synthesis of heat tracing using diurnal temperature oscillations, including details on optimal sensor selection and deployment, data processing, model parameterization, and an overview of computing tools available. Recent advances in diurnal temperature methods also provide the opportunity to determine local saturated thermal diffusivity, which can improve the accuracy of fluid flux modeling and sensor spacing, which is related to streambed scour and deposition. These parameters can also be used to determine the reliability of flux estimates from the use of heat as a tracer.

Quantitative Characterization of Spurious Gibbs Waves in 45 CMIP5 Models

NASA Astrophysics Data System (ADS)

Geil, K. L.; Zeng, X.

2014-12-01

Gibbs oscillations appear in global climate models when representing fields, such as orography, that contain discontinuities or sharp gradients. It has been known for decades that the oscillations are associated with the transformation of the truncated spectral representation of a field to physical space and that the oscillations can also be present in global models that do not use spectral methods. The spurious oscillations are potentially detrimental to model simulations (e.g., over ocean) and this work provides a quantitative characterization of the Gibbs oscillations that appear across the Coupled Model Intercomparison Project Phase 5 (CMIP5) models. An ocean transect running through the South Pacific High toward the Andes is used to characterize the oscillations in ten different variables. These oscillations are found to be stationary and hence are not caused by (physical) waves in the atmosphere. We quantify the oscillation amplitude using the root mean square difference (RMSD) between the transect of a variable and its running mean (rather than the constant mean across the transect). We also compute the RMSD to interannual variability (IAV) ratio, which provides a relative measure of the oscillation amplitude. Of the variables examined, the largest RMSD values exist in the surface pressure field of spectral models, while the smallest RMSD values within the surface pressure field come from models that use finite difference (FD) techniques. Many spectral models have a surface pressure RMSD that is 2 to 15 times greater than IAV over the transect and an RMSD:IAV ratio greater than one for many other variables including surface temperature, incoming shortwave radiation at the surface, incoming longwave radiation at the surface, and total cloud fraction. In general, the FD models out-perform the spectral models, but not all the spectral models have large amplitude oscillations and there are a few FD models where the oscillations do appear. Finally, we present a brief comparison of the numerical methods of a select few models to better understand their Gibbs oscillations.

[Optimization of application parameters of soil seed bank in vegetation recovery via response surface methodology].

PubMed

He, Meng-Xuan; Li, Hong-Yuan; Mo, Xun-Qiang; Meng, Wei-Qing; Yang, Jia-Nan

2014-08-01

The thickness of surface soil, the covering thickness and the number of adding arbor seeds are all important factors to be considered in the application of soil seed bank (SSB) for vegetation recovery. To determine the optimal conditions, the Box-Behnken central composite design with three parameters and three levels was conducted and Design-Expert was used for response surface optimization. Finally, the optimal model and optimal level of each parameter were selected. The quadratic model was more suitable for response surface optimization (P < 0.0001), indicating the model had good statistical significance which could express ideal relations between all the independent variable and dependent variable. For the optimum condition, the thickness of surface soil was 4.3 cm, the covering thickness was 2 cm, and the number of adding arbor seeds was 224 ind x m(-2), under which the number of germinated seedlings could be reached up to 6222 plants x m(-2). During the process of seed germination, significant interactions between the thickness of surface soil and the covering thickness, as well as the thickness of surface soil and the number of adding arbor seeds were found, but the relationship between the covering thickness and the number of adding arbor seeds was relatively unremarkable. Among all the parameters, the thickness of surface soil was the most important one, which had the steepest curve and the largest standardized coefficient.

How well do we understand the Earth's radiation budget and the role of clouds? Selected results of the GEWEX radiation flux assessment

NASA Astrophysics Data System (ADS)

Raschke, E.; Kinne, S.

2013-05-01

Multi-year average radiative flux maps of three satellite data-sets (CERES, ISSCP and GEWEX-SRB) are compared to each other and to typical values by global modeling (median values of results of 20 climate models of the 4th IPCC Assessment). Diversity assessments address radiative flux products and at the top of the atmosphere (TOA) and the surface, with particular attention to impacts by clouds. Involving both data from surface and TOA special attention is given to the vertical radiation flux divergence and on the infrared Greenhouse effect, which are rarely shown in literature.

Modeling of control forces for kinematical constraints in the dynamics of multibody systems: A new approach

NASA Technical Reports Server (NTRS)

Ider, Sitki Kemal

1989-01-01

Conventionally kinematical constraints in multibody systems are treated similar to geometrical constraints and are modeled by constraint reaction forces which are perpendicular to constraint surfaces. However, in reality, one may want to achieve the desired kinematical conditions by control forces having different directions in relation to the constraint surfaces. The conventional equations of motion for multibody systems subject to kinematical constraints are generalized by introducing general direction control forces. Conditions for the selections of the control force directions are also discussed. A redundant robotic system subject to prescribed end-effector motion is analyzed to illustrate the methods proposed.

Photometric study of the Moon with SMART-1/AMIE

NASA Astrophysics Data System (ADS)

Naranen, Jyri; Parviainen, Hannu; Muinonen, Karri; Josset, Jean-Luc; Beauvivre, Stephane; Koschny, Detlef; Foing, Bernard H.; Krieger, Bjoern; Amie Team

The Advanced Moon micro-Imager Experiment (AMIE) onboard the ESA SMART-1 lunar mission performed imaging of the Moon between November 2004 and September 2006, when the mission was ended by crashing the spacecraft into the lunar surface. AMIE was a 1024X1024 pixel miniaturized CCD camera with three colour filters and a panchromatic channel (clear filter). The images are of medium-to-high resolution, e.g. at 300 km pericenter altitude the resolution was 27 m/pix. We selected four different regions on the lunar surface imaged by AMIE for the photometric investigation reported here. These regions were selected so that as large phase angle coverage as possible was available, including the opposition geometry. Each of the regions cover a few hundred square kilometers of the lunar surface and were imaged by AMIE several tens of times. The regions examined include, e.g., Reiner gamma and Oceanus Procellarum near the crater Mairan. We utilized the latest in-flight calibration data available and we also georetrified the images to account for the aspect distortions. For the study reported here, the panchromatic filter was chosen since it is the best calibrated channel at the moment. The data was analyzed by implementing a numerical light scattering model with which we have inverted the regolith porosity and macroscopic surface roughness properties for the target areas. The model computes the bidirectional reflectance function using the geometric-optics approximation from a particulate medium constrained by a self-affine fractal random fields mimicking the regolith-covered lunar surface. Fractal description of the surface roughness is used, since it gives a more realistic way to model the true macroscopic surface roughness than the often used Gaussian correlation-model. Unlike in the previous studies, the azimuthal shadowing effects are taken into account, allowing for a more reliable inversion of surface statistics from images with large phase angles. In addition, we have fitted an empirical photometric function to the data which can be used to perform photometric correction to the images in, e.g., image mosaicking. A comparison with the results from the relevant previous photometric studies of the Moon is given. We end by presenting plans for future studies, especially the possible multi-colour photometry.

Laboratory evaluation of polychlorinated biphenyls ...

EPA Pesticide Factsheets

Effectiveness and limitations of the encapsulation method for reducing polychlorinated biphenyls (PCBs) concentrations in indoor air and contaminated surface have been evaluated in the laboratory study. Ten coating materials such as epoxy and polyurethane coatings, latex paint, and petroleum-based paint were tested in small environmental chambers to rank the encapsulants by their resistance to PCB sorption and estimate the key parameters required by a barrier model. Wipe samples were collected from PCB contaminated surface encapsulated with the coating materials to rank the encapsulants by their resistance to PCB migration from the source. A barrier model was used to calculate the PCB concentrations in the sources and the encapsulant layers, and at the exposed surfaces of the encapsulant and in the room air at different times. The performance of the encapsulants was ranked by those concentrations and PCB percent reductions. Overall, the three epoxy coatings performed better than the other coatings. Both the experimental results and the mathematical modeling showed that selecting proper encapsulants can effectively reduce the PCB concentrations at the exposed surfaces. The encapsulation method is most effective for contaminated surfaces that contain low levels of PCBs. This study answers some of these questions by using a combination of laboratory testing and mathematical modeling. The results should be useful to mitigation engineers, building owners and managers

A semi-grand canonical Monte Carlo simulation model for ion binding to ionizable surfaces: proton binding of carboxylated latex particles as a case study.

PubMed

Madurga, Sergio; Rey-Castro, Carlos; Pastor, Isabel; Vilaseca, Eudald; David, Calin; Garcés, Josep Lluís; Puy, Jaume; Mas, Francesc

2011-11-14

In this paper, we present a computer simulation study of the ion binding process at an ionizable surface using a semi-grand canonical Monte Carlo method that models the surface as a discrete distribution of charged and neutral functional groups in equilibrium with explicit ions modelled in the context of the primitive model. The parameters of the simulation model were tuned and checked by comparison with experimental titrations of carboxylated latex particles in the presence of different ionic strengths of monovalent ions. The titration of these particles was analysed by calculating the degree of dissociation of the latex functional groups vs. pH curves at different background salt concentrations. As the charge of the titrated surface changes during the simulation, a procedure to keep the electroneutrality of the system is required. Here, two approaches are used with the choice depending on the ion selected to maintain electroneutrality: counterion or coion procedures. We compare and discuss the difference between the procedures. The simulations also provided a microscopic description of the electrostatic double layer (EDL) structure as a function of pH and ionic strength. The results allow us to quantify the effect of the size of the background salt ions and of the surface functional groups on the degree of dissociation. The non-homogeneous structure of the EDL was revealed by plotting the counterion density profiles around charged and neutral surface functional groups. © 2011 American Institute of Physics

Interactive shape metamorphosis

NASA Technical Reports Server (NTRS)

Chen, David T.; State, Andrei; Banks, David

1994-01-01

A technique for controlled metamorphosis between surfaces in 3-space is described. Well-understood techniques to produce shape metamorphosis between models in a 2D parametric space is applied. The user selects morphable features interactively, and the morphing process executes in real time on a high-performance graphics multicomputer.

Contrasting habitat selection amongst cephalopods in the Mediterranean Sea: When the environment makes the difference.

PubMed

Lauria, V; Garofalo, G; Gristina, M; Fiorentino, F

2016-08-01

Conservation of fish habitat requires a deeper knowledge of how species distribution patterns are related to environmental factors. Habitat suitability modelling is an essential tool to quantify species' realised niches and understand species-environment relationships. Cephalopods are important players in the marine food web and a significant resource for fisheries; they are also very sensitive to environmental changes. Here a time series of fishery-independent data (1998-2011) was used to construct habitat suitability models and investigate the influence of environmental variables on four commercial cephalopods: Todaropsis eblanae, Illex coindetii, Eledone moschata and Eledone cirrhosa, in the central Mediterranean Sea. The main environmental predictors of cephalopod habitat suitability were depth, seafloor morphology, chlorophyll-a concentration, sea surface temperature and surface salinity. Predictive maps highlighted contrasting habitat selection amongst species. This study identifies areas where the important commercial species of cephalopods are concentrated and provides significant information for a future spatial based approach to fisheries management in the Mediterranean Sea. Copyright © 2016 Elsevier Ltd. All rights reserved.

The EarthServer Geology Service: web coverage services for geosciences

NASA Astrophysics Data System (ADS)

Laxton, John; Sen, Marcus; Passmore, James

2014-05-01

The EarthServer FP7 project is implementing web coverage services using the OGC WCS and WCPS standards for a range of earth science domains: cryospheric; atmospheric; oceanographic; planetary; and geological. BGS is providing the geological service (http://earthserver.bgs.ac.uk/). Geoscience has used remote sensed data from satellites and planes for some considerable time, but other areas of geosciences are less familiar with the use of coverage data. This is rapidly changing with the development of new sensor networks and the move from geological maps to geological spatial models. The BGS geology service is designed initially to address two coverage data use cases and three levels of data access restriction. Databases of remote sensed data are typically very large and commonly held offline, making it time-consuming for users to assess and then download data. The service is designed to allow the spatial selection, editing and display of Landsat and aerial photographic imagery, including band selection and contrast stretching. This enables users to rapidly view data, assess is usefulness for their purposes, and then enhance and download it if it is suitable. At present the service contains six band Landsat 7 (Blue, Green, Red, NIR 1, NIR 2, MIR) and three band false colour aerial photography (NIR, green, blue), totalling around 1Tb. Increasingly 3D spatial models are being produced in place of traditional geological maps. Models make explicit spatial information implicit on maps and thus are seen as a better way of delivering geosciences information to non-geoscientists. However web delivery of models, including the provision of suitable visualisation clients, has proved more challenging than delivering maps. The EarthServer geology service is delivering 35 surfaces as coverages, comprising the modelled superficial deposits of the Glasgow area. These can be viewed using a 3D web client developed in the EarthServer project by Fraunhofer. As well as remote sensed imagery and 3D models, the geology service is also delivering DTM coverages which can be viewed in the 3D client in conjunction with both imagery and models. The service is accessible through a web GUI which allows the imagery to be viewed against a range of background maps and DTMs, and in the 3D client; spatial selection to be carried out graphically; the results of image enhancement to be displayed; and selected data to be downloaded. The GUI also provides access to the Glasgow model in the 3D client, as well as tutorial material. In the final year of the project it is intended to increase the volume of data to 20Tb and enhance the WCPS processing, including depth and thickness querying of 3D models. We have also investigated the use of GeoSciML, developed to describe and interchange the information on geological maps, to describe model surface coverages. EarthServer is developing a combined WCPS and xQuery query language, and we will investigate applying this to the GeoSciML described surfaces to answer questions such as 'find all units with a predominant sand lithology within 25m of the surface'.

Elastic-plastic adhesive impacts of tungsten dust with metal surfaces in plasma environments

NASA Astrophysics Data System (ADS)

Ratynskaia, S.; Tolias, P.; Shalpegin, A.; Vignitchouk, L.; De Angeli, M.; Bykov, I.; Bystrov, K.; Bardin, S.; Brochard, F.; Ripamonti, D.; den Harder, N.; De Temmerman, G.

2015-08-01

Dust-surface collisions impose size selectivity on the ability of dust grains to migrate in scrape-off layer and divertor plasmas and to adhere to plasma-facing components. Here, we report first experimental evidence of dust impact phenomena in plasma environments concerning low-speed collisions of tungsten dust with tungsten surfaces: re-bouncing, adhesion, sliding and rolling. The results comply with the predictions of the model of elastic-perfectly plastic adhesive spheres employed in the dust dynamics code MIGRAINe for sub- to several meters per second impacts of micrometer-range metal dust.

Effect of static shape deformation on aerodynamics and aerothermodynamics of hypersonic inflatable aerodynamic decelerator

NASA Astrophysics Data System (ADS)

Guo, Jinghui; Lin, Guiping; Bu, Xueqin; Fu, Shiming; Chao, Yanmeng

2017-07-01

The inflatable aerodynamic decelerator (IAD), which allows heavier and larger payloads and offers flexibility in landing site selection at higher altitudes, possesses potential superiority in next generation space transport system. However, due to the flexibilities of material and structure assembly, IAD inevitably experiences surface deformation during atmospheric entry, which in turn alters the flowfield around the vehicle and leads to the variations of aerodynamics and aerothermodynamics. In the current study, the effect of the static shape deformation on the hypersonic aerodynamics and aerothermodynamics of a stacked tori Hypersonic Inflatable Aerodynamic Decelerator (HIAD) is demonstrated and analyzed in detail by solving compressible Navier-Stokes equations with Menter's shear stress transport (SST) turbulence model. The deformed shape is obtained by structural modeling in the presence of maximum aerodynamic pressure during entry. The numerical results show that the undulating shape deformation makes significant difference to flow structure. In particular, the more curved outboard forebody surface results in local flow separations and reattachments in valleys, which consequently yields remarkable fluctuations of surface conditions with pressure rising in valleys yet dropping on crests while shear stress and heat flux falling in valleys yet rising on crests. Accordingly, compared with the initial (undeformed) shape, the corresponding differences of surface conditions get more striking outboard, with maximum augmentations of 379 pa, 2224 pa, and 19.0 W/cm2, i.e., 9.8%, 305.9%, and 101.6% for the pressure, shear stress and heat flux respectively. Moreover, it is found that, with the increase of angle of attack, the aerodynamic characters and surface heating vary and the aeroheating disparities are evident between the deformed and initial shape. For the deformable HIAD model investigated in this study, the more intense surface conditions and changed flight aerodynamics are revealed, which is critical for the selection of structure material and design of flight control system.

Estimation of open water evaporation using land-based meteorological data

NASA Astrophysics Data System (ADS)

Li, Fawen; Zhao, Yong

2017-10-01

Water surface evaporation is an important process in the hydrologic and energy cycles. Accurate simulation of water evaporation is important for the evaluation of water resources. In this paper, using meteorological data from the Aixinzhuang reservoir, the main factors affecting water surface evaporation were determined by the principal component analysis method. To illustrate the influence of these factors on water surface evaporation, the paper first adopted the Dalton model to simulate water surface evaporation. The results showed that the simulation precision was poor for the peak value zone. To improve the model simulation's precision, a modified Dalton model considering relative humidity was proposed. The results show that the 10-day average relative error is 17.2%, assessed as qualified; the monthly average relative error is 12.5%, assessed as qualified; and the yearly average relative error is 3.4%, assessed as excellent. To validate its applicability, the meteorological data of Kuancheng station in the Luan River basin were selected to test the modified model. The results show that the 10-day average relative error is 15.4%, assessed as qualified; the monthly average relative error is 13.3%, assessed as qualified; and the yearly average relative error is 6.0%, assessed as good. These results showed that the modified model had good applicability and versatility. The research results can provide technical support for the calculation of water surface evaporation in northern China or similar regions.

Select α-arrestins control cell-surface abundance of the mammalian Kir2.1 potassium channel in a yeast model.

PubMed

Hager, Natalie A; Krasowski, Collin J; Mackie, Timothy D; Kolb, Alexander R; Needham, Patrick G; Augustine, Andrew A; Dempsey, Alison; Szent-Gyorgyi, Christopher; Bruchez, Marcel P; Bain, Daniel J; Kwiatkowski, Adam V; O'Donnell, Allyson F; Brodsky, Jeffrey L

2018-05-21

Protein composition at the plasma membrane is tightly regulated, with rapid protein internalization and selective targeting to the cell surface occurring in response to environmental changes. For example, ion channels are dynamically relocalized to or from the plasma membrane in response to physiological alterations, allowing cells and organisms to maintain osmotic and salt homeostasis. To identify additional factors that regulate the selective trafficking of a specific ion channel, we used a yeast model for a mammalian potassium channel, the K+ inwardly rectifying channel Kir2.1. Kir2.1 maintains potassium homeostasis in heart muscle cells, and Kir2.1 defects lead to human disease. By examining the ability of Kir2.1 to rescue the growth of yeast cells lacking endogenous potassium channels, we discovered that specific α-arrestins regulate Kir2.1 localization. Specifically, we found that the Ldb19/Art1, Aly1/Art6, and Aly2/Art3 α-arrestin adaptor proteins promote Kir2.1 trafficking to the cell surface, increase Kir2.1 activity at the plasma membrane, and raise intracellular potassium levels. To better quantify the intracellular and cell-surface populations of Kir2.1, we created fluorescence-activating protein fusions and for the first time used this technique to measure the cell-surface residency of a plasma membrane protein in yeast. Our experiments revealed that two α-arrestin effectors also control Kir2.1 localization. In particular, both the Rsp5 ubiquitin ligase and the protein phosphatase calcineurin facilitated the α-arrestin-mediated trafficking of Kir2.1. Together, our findings implicate α-arrestins in regulating an additional class of plasma membrane proteins and establish a new tool for dissecting the trafficking itinerary of any membrane protein in yeast. Published under license by The American Society for Biochemistry and Molecular Biology, Inc.

[The influences of the stress distribution on the condylar cartilage surface by Herbst appliance under various bite reconstruction--a three dimensional finite element analysis].

PubMed

Hu, L; Zhao, Z; Song, J; Fan, Y; Jiang, W; Chen, J

2001-02-01

The distribution of stress on the surface of condylar cartilage was investigated. Three-dimensional model of the 'Temporomandibular joint mandible Herbst appliance system' was set up by SUPER SAP software (version 9.3). On this model, various bite reconstruction was simulated according to specified advanced displacement and vertical bite opening. The distribution of maximum and minimum principal stress on the surface of condylar cartilage were computerized and analyzed. When Herbst appliance drove the mandible forward, the anterior condyle surface was compressed while the posterior surface was drawn. The trend of stress on the same point on the condyle surface was consistent in various reconstruction conditions, but the trend of stress on various point were different in same reconstruction conditions. All five groups of bite reconstruction (3-7 mm advancement, 4-2 mm vertical bite opening of the mandible) designed by this study can be selected in clinic according to the patient's capability of adaptation, the extent of malocclusion and the potential and direction of growth.

The role of electronic mechanisms in surface erosion and glow phenomena

NASA Technical Reports Server (NTRS)

Haglund, Richard F., Jr.

1987-01-01

Experimental studies of desorption induced by electronic transitions (DIET) are described. Such studies are producing an increasingly complete picture of the dynamical pathways through which incident electronic energy is absorbed and rechanneled to produce macroscopic erosion and glow. These mechanistic studies can determine rate constants for erosion and glow processes in model materials and provide valuable guidance in materials selection and development. Extensive experiments with electron, photon, and heavy particle irradiation of alkali halides and other simple model materials have produced evidence showing that: (1) surface erosion, consisting primarily in the ejection or desorption of ground-state neutral atoms, occurs with large efficiencies for all irradiated species; (2) surface glow, resulting from the radiative decay of desorbed atoms, likewise occurs for all irradiating species; (3) the typical mechanism for ground-state neutral desorption is exciton formation, followed by relaxation to a permanent, mobile electronic defect which is the precursor to bond-breaking in the surface or near-surface bulk of the material; and (4) the mechanisms for excited atom formation may include curve crossing in atomic collisions, interactions with surface defect or impurity states, or defect diffusion.

Influence of snow cover changes on surface radiation and heat balance based on the WRF model

NASA Astrophysics Data System (ADS)

Yu, Lingxue; Liu, Tingxiang; Bu, Kun; Yang, Jiuchun; Chang, Liping; Zhang, Shuwen

2017-10-01

The snow cover extent in mid-high latitude areas of the Northern Hemisphere has significantly declined corresponding to the global warming, especially since the 1970s. Snow-climate feedbacks play a critical role in regulating the global radiation balance and influencing surface heat flux exchange. However, the degree to which snow cover changes affect the radiation budget and energy balance on a regional scale and the difference between snow-climate and land use/cover change (LUCC)-climate feedbacks have been rarely studied. In this paper, we selected Heilongjiang Basin, where the snow cover has changed obviously, as our study area and used the WRF model to simulate the influences of snow cover changes on the surface radiation budget and heat balance. In the scenario simulation, the localized surface parameter data improved the accuracy by 10 % compared with the control group. The spatial and temporal analysis of the surface variables showed that the net surface radiation, sensible heat flux, Bowen ratio, temperature and percentage of snow cover were negatively correlated and that the ground heat flux and latent heat flux were positively correlated with the percentage of snow cover. The spatial analysis also showed that a significant relationship existed between the surface variables and land cover types, which was not obviously as that for snow cover changes. Finally, six typical study areas were selected to quantitatively analyse the influence of land cover types beneath the snow cover on heat absorption and transfer, which showed that when the land was snow covered, the conversion of forest to farmland can dramatically influence the net radiation and other surface variables, whereas the snow-free land showed significantly reduced influence. Furthermore, compared with typical land cover changes, e.g., the conversion of forest into farmland, the influence of snow cover changes on net radiation and sensible heat flux were 60 % higher than that of land cover changes, indicating the importance of snow cover changes in the surface-atmospheric feedback system.

Data-driven modeling of surface temperature anomaly and solar activity trends

USGS Publications Warehouse

Friedel, Michael J.

2012-01-01

A novel two-step modeling scheme is used to reconstruct and analyze surface temperature and solar activity data at global, hemispheric, and regional scales. First, the self-organizing map (SOM) technique is used to extend annual modern climate data from the century to millennial scale. The SOM component planes are used to identify and quantify strength of nonlinear relations among modern surface temperature anomalies (<150 years), tropical and extratropical teleconnections, and Palmer Drought Severity Indices (0–2000 years). Cross-validation of global sea and land surface temperature anomalies verifies that the SOM is an unbiased estimator with less uncertainty than the magnitude of anomalies. Second, the quantile modeling of SOM reconstructions reveal trends and periods in surface temperature anomaly and solar activity whose timing agrees with published studies. Temporal features in surface temperature anomalies, such as the Medieval Warm Period, Little Ice Age, and Modern Warming Period, appear at all spatial scales but whose magnitudes increase when moving from ocean to land, from global to regional scales, and from southern to northern regions. Some caveats that apply when interpreting these data are the high-frequency filtering of climate signals based on quantile model selection and increased uncertainty when paleoclimatic data are limited. Even so, all models find the rate and magnitude of Modern Warming Period anomalies to be greater than those during the Medieval Warm Period. Lastly, quantile trends among reconstructed equatorial Pacific temperature profiles support the recent assertion of two primary El Niño Southern Oscillation types. These results demonstrate the efficacy of this alternative modeling approach for reconstructing and interpreting scale-dependent climate variables.

Forecast skill of a high-resolution real-time mesoscale model designed for weather support of operations at Kennedy Space Center and Cape Canaveral Air Station

NASA Technical Reports Server (NTRS)

Taylor, Gregory E.; Zack, John W.; Manobianco, John

1994-01-01

NASA funded Mesoscale Environmental Simulations and Operations (MESO), Inc. to develop a version of the Mesoscale Atmospheric Simulation System (MASS). The model has been modified specifically for short-range forecasting in the vicinity of KSC/CCAS. To accomplish this, the model domain has been limited to increase the number of horizontal grid points (and therefore grid resolution) and the model' s treatment of precipitation, radiation, and surface hydrology physics has been enhanced to predict convection forced by local variations in surface heat, moisture fluxes, and cloud shading. The objective of this paper is to (1) provide an overview of MASS including the real-time initialization and configuration for running the data pre-processor and model, and (2) to summarize the preliminary evaluation of the model's forecasts of temperature, moisture, and wind at selected rawinsonde station locations during February 1994 and July 1994. MASS is a hydrostatic, three-dimensional modeling system which includes schemes to represent planetary boundary layer processes, surface energy and moisture budgets, free atmospheric long and short wave radiation, cloud microphysics, and sub-grid scale moist convection.

Thermophysical properties of Cu-In-Sn liquid Pb-free alloys: viscosity and surface tension

NASA Astrophysics Data System (ADS)

Dogan, Ali; Arslan, Hüseyin

2018-01-01

The viscosity of a few Cu-In-Sn liquid alloys has been investigated by a number of geometric (Muggianu, Kohler, Toop) and physical thermodynamic models (Kozlov-Romanov-Petrov, Budai-Benko-Kaptay, Schick et al.) and GSM for the cross section (z/y = 1/3) in Pb-free liquid alloy Cux-Iny-Snz at 1073 K. Moreover, the surface tensions of the same liquid alloys have been investigated by a number of geometric models and the Butler model for the cross section Cux-Iny-Snz (z/(y + z) = 0, 0.1, 0.3, 0.5, 0.7, 0.9, 1) at the same temperature. The best agreement of the surface tensions was obtained in the Kohler model for xCu = 10 at % and the Butler model for xCu = 20 at % and xCu = 30 at.%, respectively. The best agreement among chosen geometric and physical models and experiment for these selected sections Cu80In15Sn5, Cu75In15Sn10, Cu55In7Sn38, Cu33In50Sn17 and Cu26In55Sn19 at 1073 K was obtained for the Budai-Benkö-Kaptay model.

Simulating Snow in Canadian Boreal Environments with CLASS for ESM-SnowMIP

NASA Astrophysics Data System (ADS)

Wang, L.; Bartlett, P. A.; Derksen, C.; Ireson, A. M.; Essery, R.

2017-12-01

The ability of land surface schemes to provide realistic simulations of snow cover is necessary for accurate representation of energy and water balances in climate models. Historically, this has been particularly challenging in boreal forests, where poor treatment of both snow masking by forests and vegetation-snow interaction has resulted in biases in simulated albedo and snowpack properties, with subsequent effects on both regional temperatures and the snow albedo feedback in coupled simulations. The SnowMIP (Snow Model Intercomparison Project) series of experiments or `MIPs' was initiated in order to provide assessments of the performance of various snow- and land-surface-models at selected locations, in order to understand the primary factors affecting model performance. Here we present preliminary results of simulations conducted for the third such MIP, ESM-SnowMIP (Earth System Model - Snow Model Intercomparison Project), using the Canadian Land Surface Scheme (CLASS) at boreal forest sites in central Saskatchewan. We assess the ability of our latest model version (CLASS 3.6.2) to simulate observed snowpack properties (snow water equivalent, density and depth) and above-canopy albedo over 13 winters. We also examine the sensitivity of these simulations to climate forcing at local and regional scales.

An experimental study of factors affecting the selective inhibition of sintering process

NASA Astrophysics Data System (ADS)

Asiabanpour, Bahram

Selective Inhibition of Sintering (SIS) is a new rapid prototyping method that builds parts in a layer-by-layer fabrication basis. SIS works by joining powder particles through sintering in the part's body, and by sintering inhibition of some selected powder areas. The objective of this research has been to improve the new SIS process, which has been invented at USC. The process improvement is based on statistical design of experiments. To conduct the needed experiments a working machine and related path generator software were needed. The machine and its control software were made available prior to this research. The path generator algorithms and software had to be created. This program should obtain model geometry data from a CAD file and generate an appropriate path file for the printer nozzle. Also, the program should generate a simulation file for path file inspection using virtual prototyping. The activities related to path generator constitute the first part of this research, which has resulted in an efficient path generator. In addition, to reach an acceptable level of accuracy, strength, and surface quality in the fabricated parts, all effective factors in the SIS process should be identified and controlled. Simultaneous analytical and experimental studies were conducted to recognize effective factors and to control the SIS process. Also, it was known that polystyrene was the most appropriate polymer powder and saturated potassium iodide was the most effective inhibitor among the available candidate materials. In addition, statistical tools were applied to improve the desirable properties of the parts fabricated by the SIS process. An investigation of part strength was conducted using the Response Surface Methodology (RSM) and a region of acceptable operating conditions for the part strength was found. Then, through analysis of the experimental results, the impact of the factors on the final part surface quality and dimensional accuracy was modeled. After developing a desirability function model, process operating conditions for maximum desirability were identified. Finally, the desirability model was validated.

Test Cases for the Benchmark Active Controls: Spoiler and Control Surface Oscillations and Flutter

NASA Technical Reports Server (NTRS)

Bennett, Robert M.; Scott, Robert C.; Wieseman, Carol D.

2000-01-01

As a portion of the Benchmark Models Program at NASA Langley, a simple generic model was developed for active controls research and was called BACT for Benchmark Active Controls Technology model. This model was based on the previously-tested Benchmark Models rectangular wing with the NACA 0012 airfoil section that was mounted on the Pitch and Plunge Apparatus (PAPA) for flutter testing. The BACT model had an upper surface spoiler, a lower surface spoiler, and a trailing edge control surface for use in flutter suppression and dynamic response excitation. Previous experience with flutter suppression indicated a need for measured control surface aerodynamics for accurate control law design. Three different types of flutter instability boundaries had also been determined for the NACA 0012/PAPA model, a classical flutter boundary, a transonic stall flutter boundary at angle of attack, and a plunge instability near M = 0.9. Therefore an extensive set of steady and control surface oscillation data was generated spanning the range of the three types of instabilities. This information was subsequently used to design control laws to suppress each flutter instability. There have been three tests of the BACT model. The objective of the first test, TDT Test 485, was to generate a data set of steady and unsteady control surface effectiveness data, and to determine the open loop dynamic characteristics of the control systems including the actuators. Unsteady pressures, loads, and transfer functions were measured. The other two tests, TDT Test 502 and TDT Test 5 18, were primarily oriented towards active controls research, but some data supplementary to the first test were obtained. Dynamic response of the flexible system to control surface excitation and open loop flutter characteristics were determined during Test 502. Loads were not measured during the last two tests. During these tests, a database of over 3000 data sets was obtained. A reasonably extensive subset of the data sets from the first two tests have been chosen for Test Cases for computational comparisons concentrating on static conditions and cases with harmonically oscillating control surfaces. Several flutter Test Cases from both tests have also been included. Some aerodynamic comparisons with the BACT data have been made using computational fluid dynamics codes at the Navier-Stokes level (and in the accompanying chapter SC). Some mechanical and active control studies have been presented. In this report several Test Cases are selected to illustrate trends for a variety of different conditions with emphasis on transonic flow effects. Cases for static angles of attack, static trailing-edge and upper-surface spoiler deflections are included for a range of conditions near those for the oscillation cases. Cases for trailing-edge control and upper-surface spoiler oscillations for a range of Mach numbers, angle of attack, and static control deflections are included. Cases for all three types of flutter instability are selected. In addition some cases are included for dynamic response measurements during forced oscillations of the controls on the flexible mount. An overview of the model and tests is given, and the standard formulary for these data is listed. Some sample data and sample results of calculations are presented. Only the static pressures and the first harmonic real and imaginary parts of the pressures are included in the data for the Test Cases, but digitized time histories have been archived. The data for the Test Cases are also available as separate electronic files.

Experimental and theoretical analysis of defocused CO2 laser microchanneling on PMMA for enhanced surface finish

NASA Astrophysics Data System (ADS)

Prakash, Shashi; Kumar, Subrata

2017-02-01

The poor surface finish of CO2 laser-micromachined microchannel walls is a major limitation of its utilization despite several key advantages, like low fabrication cost and low time consumption. Defocused CO2 laser beam machining is an effective solution for fabricating smooth microchannel walls on polymer and glass substrates. In this research work, the CO2 laser microchanneling process on PMMA has been analyzed at different beam defocus positions. Defocused processing has been investigated both theoretically and experimentally, and the depth of focus and beam diameter have been determined experimentally. The effect of beam defocusing on the microchannel width, depth, surface roughness, heat affected zone and microchannel profile were examined. A previously developed analytical model for microchannel depth prediction has been improved by incorporating the threshold energy density factor. A semi-analytical model for predicting the microchannel width at different defocus positions has been developed. A semi-empirical model has also been developed for predicting microchannel widths at different defocusing conditions for lower depth values. The developed models were compared and verified by performing actual experiments. Multi-objective optimization was performed to select the best optimum set of input parameters for achieving the desired surface roughness.

Constraints and Approach for Selecting the Mars Surveyor '01 Landing Site

NASA Technical Reports Server (NTRS)

Golombek, M.; Bridges, N.; Gilmore, M.; Haldemann, A.; Parker, T.; Saunders, R.; Spencer, D.; Smith, J.; Weitz, C.

1999-01-01

There are many similarities between the Mars Surveyor '01 (MS '01) landing site selection process and that of Mars Pathfinder. The selection process includes two parallel activities in which engineers define and refine the capabilities of the spacecraft through design, testing and modeling and scientists define a set of landing site constraints based on the spacecraft design and landing scenario. As for Pathfinder, the safety of the site is without question the single most important factor, for the simple reason that failure to land safely yields no science and exposes the mission and program to considerable risk. The selection process must be thorough and defensible and capable of surviving multiple withering reviews similar to the Pathfinder decision. On Pathfinder, this was accomplished by attempting to understand the surface properties of sites using available remote sensing data sets and models based on them. Science objectives are factored into the selection process only after the safety of the site is validated. Finally, as for Pathfinder, the selection process is being done in an open environment with multiple opportunities for community involvement including open workshops, with education and outreach opportunities.

Constraints, Approach and Present Status for Selecting the Mars Surveyor 2001 Landing Site

NASA Technical Reports Server (NTRS)

Golombek, M.; Anderson, F.; Bridges, N.; Briggs, G.; Gilmore, M.; Gulick, V.; Haldemann, A.; Parker, T.; Saunders, R.; Spencer, D.;

Impacts of land use and population density on seasonal surface water quality using a modified geographically weighted regression.

PubMed

Chen, Qiang; Mei, Kun; Dahlgren, Randy A; Wang, Ting; Gong, Jian; Zhang, Minghua

2016-12-01

As an important regulator of pollutants in overland flow and interflow, land use has become an essential research component for determining the relationships between surface water quality and pollution sources. This study investigated the use of ordinary least squares (OLS) and geographically weighted regression (GWR) models to identify the impact of land use and population density on surface water quality in the Wen-Rui Tang River watershed of eastern China. A manual variable excluding-selecting method was explored to resolve multicollinearity issues. Standard regression coefficient analysis coupled with cluster analysis was introduced to determine which variable had the greatest influence on water quality. Results showed that: (1) Impact of land use on water quality varied with spatial and seasonal scales. Both positive and negative effects for certain land-use indicators were found in different subcatchments. (2) Urban land was the dominant factor influencing N, P and chemical oxygen demand (COD) in highly urbanized regions, but the relationship was weak as the pollutants were mainly from point sources. Agricultural land was the primary factor influencing N and P in suburban and rural areas; the relationship was strong as the pollutants were mainly from agricultural surface runoff. Subcatchments located in suburban areas were identified with urban land as the primary influencing factor during the wet season while agricultural land was identified as a more prevalent influencing factor during the dry season. (3) Adjusted R 2 values in OLS models using the manual variable excluding-selecting method averaged 14.3% higher than using stepwise multiple linear regressions. However, the corresponding GWR models had adjusted R 2 ~59.2% higher than the optimal OLS models, confirming that GWR models demonstrated better prediction accuracy. Based on our findings, water resource protection policies should consider site-specific land-use conditions within each watershed to optimize mitigation strategies for contrasting land-use characteristics and seasonal variations. Copyright © 2016 Elsevier B.V. All rights reserved.

Selectivity in analytical chemistry: two interpretations for univariate methods.

PubMed

Dorkó, Zsanett; Verbić, Tatjana; Horvai, George

2015-01-01

Selectivity is extremely important in analytical chemistry but its definition is elusive despite continued efforts by professional organizations and individual scientists. This paper shows that the existing selectivity concepts for univariate analytical methods broadly fall in two classes: selectivity concepts based on measurement error and concepts based on response surfaces (the response surface being the 3D plot of the univariate signal as a function of analyte and interferent concentration, respectively). The strengths and weaknesses of the different definitions are analyzed and contradictions between them unveiled. The error based selectivity is very general and very safe but its application to a range of samples (as opposed to a single sample) requires the knowledge of some constraint about the possible sample compositions. The selectivity concepts based on the response surface are easily applied to linear response surfaces but may lead to difficulties and counterintuitive results when applied to nonlinear response surfaces. A particular advantage of this class of selectivity is that with linear response surfaces it can provide a concentration independent measure of selectivity. In contrast, the error based selectivity concept allows only yes/no type decision about selectivity. Copyright © 2014 Elsevier B.V. All rights reserved.

Three-dimensional spiral CT during arterial portography: comparison of three rendering techniques.

PubMed

Heath, D G; Soyer, P A; Kuszyk, B S; Bliss, D F; Calhoun, P S; Bluemke, D A; Choti, M A; Fishman, E K

1995-07-01

The three most common techniques for three-dimensional reconstruction are surface rendering, maximum-intensity projection (MIP), and volume rendering. Surface-rendering algorithms model objects as collections of geometric primitives that are displayed with surface shading. The MIP algorithm renders an image by selecting the voxel with the maximum intensity signal along a line extended from the viewer's eye through the data volume. Volume-rendering algorithms sum the weighted contributions of all voxels along the line. Each technique has advantages and shortcomings that must be considered during selection of one for a specific clinical problem and during interpretation of the resulting images. With surface rendering, sharp-edged, clear three-dimensional reconstruction can be completed on modest computer systems; however, overlapping structures cannot be visualized and artifacts are a problem. MIP is computationally a fast technique, but it does not allow depiction of overlapping structures, and its images are three-dimensionally ambiguous unless depth cues are provided. Both surface rendering and MIP use less than 10% of the image data. In contrast, volume rendering uses nearly all of the data, allows demonstration of overlapping structures, and engenders few artifacts, but it requires substantially more computer power than the other techniques.

The wettability and swelling of selected mucoadhesive polymers in simulated saliva and vaginal fluids.

PubMed

Rojewska, M; Olejniczak-Rabinek, M; Bartkowiak, A; Snela, A; Prochaska, K; Lulek, J

2017-08-01

The surface properties play a particularly important role in the mucoadhesive drug delivery systems. In these formulations, the adsorption of polymer matrix to mucous membrane is limited by the wetting and swelling process of the polymer structure. Hence, the performance of mucoadhesive drug delivery systems made of polymeric materials depends on multiple factors, such as contact angle, surface free energy and water absorption rate. The aim of our study was to analyze the effect of model saliva and vaginal fluids on the wetting properties of selected mucoadhesive (Carbopol 974P NF, Noveon AA-1, HEC) and film-forming (Kollidon VA 64) polymers as well as their blends at the weight ratio 1:1 and 1:1:1, prepared in the form of discs. Surface properties of the discs were determined by measurements of advancing contact angle on the surface of polymers and their blends using the sessile drop method. The surface energy was determined by the OWRK method. Additionally, the mass swelling factor and hydration percentage of examined polymers and their blends in simulated biological fluids were evaluated. Copyright © 2017 Elsevier B.V. All rights reserved.

Preparation and recognition of surface molecularly imprinted core-shell microbeads for protein in aqueous solutions

NASA Astrophysics Data System (ADS)

Lu, Yan; Yan, Chang-Ling; Gao, Shu-Yan

2009-04-01

In this paper, a surface molecular imprinting technique was reported for preparing core-shell microbeads of protein imprinting, and bovine hemoglobin or bovine serum albumin were used as model proteins for studying the imprinted core-shell microbeads. 3-Aminophenylboronic acid (APBA) was polymerized onto the surface of polystyrene microbead in the presence of the protein templates to create protein-imprinted core-shell microbeads. The various samples were characterized using scanning electron microscopy (SEM), transmission electron microscopy (TEM), Raman spectroscopy, X-ray photoelectron spectroscopy (XPS) and Brunauer-Emmett-Teller (BET) methods. The effect of pH on rebinding of the template hemoglobin, the specific binding and selective recognition were studied for the imprinted microbeads. The results show that the bovine hemoglobin-imprinted core-shell microbeads were successfully created. The shell was a sort of imprinted thin films with porous structure and larger surface areas. The imprinted microbeads have good selectivity for templates and high stability. Due to the recognition sites locating at or closing to the surface, these imprinted microbeads have good property of mass-transport. Unfortunately, the imprint technology was not successfully applied to imprinting bovine serum albumin (BSA).

Atomic level characterization in corrosion studies

NASA Astrophysics Data System (ADS)

Marcus, Philippe; Maurice, Vincent

2017-06-01

Atomic level characterization brings fundamental insight into the mechanisms of self-protection against corrosion of metals and alloys by oxide passive films and into how localized corrosion is initiated on passivated metal surfaces. This is illustrated in this overview with selected data obtained at the subnanometre, i.e. atomic or molecular, scale and also at the nanometre scale on single-crystal copper, nickel, chromium and stainless steel surfaces passivated in well-controlled conditions and analysed in situ and/or ex situ by scanning tunnelling microscopy/spectroscopy and atomic force microscopy. A selected example of corrosion modelling by ab initio density functional theory is also presented. The discussed aspects include the surface reconstruction induced by hydroxide adsorption and formation of two-dimensional (hydr)oxide precursors, the atomic structure, orientation and surface hydroxylation of three-dimensional ultrathin oxide passive films, the effect of grain boundaries in polycrystalline passive films acting as preferential sites of passivity breakdown, the differences in local electronic properties measured at grain boundaries of passive films and the role of step edges at the exposed surface of oxide grains on the dissolution of the passive film. This article is part of the themed issue 'The challenges of hydrogen and metals'.

The Efficiency of UVC Radiation in the Inactivation of
Listeria monocytogenes on Beef-Agar Food Models.

PubMed

Hamidi-Oskouei, Amir M; James, Christian; James, Stephen

2015-06-01

The aim of this study is to evaluate the effect of meat content and surface smoothness on the deactivation of Listeria monocytogenes in beef-agar food models achieved by shortwave ultraviolet (UVC) light. Food models with various meat contents were made using chopped beef slices and agar solution. Prepared models together with a Listeria selective agar (LSA) plate and a slice of cooked beef were inoculated with L. monocytogenes and then exposed to UVC light. Population of Listeria reduced to below the level of detection on the LSA plates. As the content of beef in the beef-agar models increased, more L. monocytogenes cells survived. Survival was greatest on the treated cooked slice of beef. To better understand the effect of surface irregularities, a white light interferometer was used to analyse the surface smoothness of beef-agar media and LSA plates. No correlation was observed between the surface roughness of seven out of nine types of produced beef-agar media and the degree of inactivation resulting from UVC radiation at the given dose, whereas, less bacterial cells were killed as beef content of the food models increased. The findings of the current study show that the chemical composition of the treated sample also plays an important role in pathogen resistance and survival, meaning that two samples with similar surface irregularities but different chemical composition might produce very different inactivation results when exposed to UVC light.

The Efficiency of UVC Radiation in the Inactivation of
Listeria monocytogenes on Beef-Agar Food Models

PubMed Central

James, Christian; James, Stephen

2015-01-01

Summary The aim of this study is to evaluate the effect of meat content and surface smoothness on the deactivation of Listeria monocytogenes in beef-agar food models achieved by shortwave ultraviolet (UVC) light. Food models with various meat contents were made using chopped beef slices and agar solution. Prepared models together with a Listeria selective agar (LSA) plate and a slice of cooked beef were inoculated with L. monocytogenes and then exposed to UVC light. Population of Listeria reduced to below the level of detection on the LSA plates. As the content of beef in the beef-agar models increased, more L. monocytogenes cells survived. Survival was greatest on the treated cooked slice of beef. To better understand the effect of surface irregularities, a white light interferometer was used to analyse the surface smoothness of beef-agar media and LSA plates. No correlation was observed between the surface roughness of seven out of nine types of produced beef-agar media and the degree of inactivation resulting from UVC radiation at the given dose, whereas, less bacterial cells were killed as beef content of the food models increased. The findings of the current study show that the chemical composition of the treated sample also plays an important role in pathogen resistance and survival, meaning that two samples with similar surface irregularities but different chemical composition might produce very different inactivation results when exposed to UVC light. PMID:27904353

SAFETY/TOXICITY ASSESSMENT OF CERIA (A MODEL ENGINEERED NP) TO THE BRAIN

EPA Science Inventory

The results will indicate the influence of the size, shape and various surface chemistry properties of ENMs on their entrance into BBB cells and the brain, compared to selected peripheral organs, the effects they produce in the brain, their biopersistence and biotransformation...

PROPERTY CHANGES IN AQUEOUS SOLUTIONS DUE TO SURFACTANT TREATMENT OF PCE: IMPLICATIONS TO GEOPHYSICAL MEASUREMENTS

EPA Science Inventory

Select physicochemical properties of aqueous solutions composed of surfactants, dye, and

perchloroethylene (PCE) were evaluated through a response surface quadratic design

model of experiment. Nine surfactants, which are conventionally used in the

remediation...

Three-dimensional modeling of light rays on the surface of a slanted lenticular array for autostereoscopic displays.

PubMed

Jung, Sung-Min; Kang, In-Byeong

2013-08-10

In this paper, we developed an optical model describing the behavior of light at the surface of a slanted lenticular array for autostereoscopic displays in three dimensions and simulated the optical characteristics of autostereoscopic displays using the Monte Carlo method under actual design conditions. The behavior of light is analyzed by light rays for selected inclination and azimuthal angles; numerical aberrations and conditions of total internal reflection for the lenticular array were found. The intensity and the three-dimensional crosstalk distributions calculated from our model coincide very well with those from conventional design software, and our model shows highly enhanced calculation speed that is 67 times faster than that of the conventional software. From the results, we think that the optical model is very useful for predicting the optical characteristics of autostereoscopic displays with enhanced calculation speed.

Surface Plasmon Resonance Investigations of Bioselective Element Based on the Recombinant Protein A for Immunoglobulin Detection

NASA Astrophysics Data System (ADS)

Bakhmachuk, A.; Gorbatiuk, O.; Rachkov, A.; Dons'koi, B.; Khristosenko, R.; Ushenin, I.; Peshkova, V.; Soldatkin, A.

2017-02-01

The developed surface plasmon resonance (SPR) biosensor based on the recombinant Staphylococcal protein A with an additional cysteine residue (SPA-Cys) used as a biorecognition component showed a good selectivity and sensitivity for the immunoglobulin detection. The developed biosensor with SPA-Cys-based bioselective element can also be used as a first step of immunosensor creation. The successful immobilization of SPA-Cys on the nanolayer gold sensor surface of the SPR spectrometer was performed. The efficiency of blocking nonspecific sorption sites on the sensor surface with milk proteins, gelatin, BSA, and HSA was studied, and a rather high efficiency of using gelatin was confirmed. The SPR biosensor selectively interacted with IgG and did not interact with the control proteins. The linear dependence of the sensor response on the IgG concentration in the range from 2 to 10 μg/ml was shown. Using the calibration curve, the IgG concentration was measured in the model samples. The determined concentrations are in good agreement ( r 2 = 0.97) with the given concentration of IgG.

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.

Select strengths and biases of models in representing the Arctic winter boundary layer over sea ice: the Larcform 1 single column model intercomparison

DOE PAGES

Pithan, Felix; Ackerman, Andrew; Angevine, Wayne M.; ...

2016-08-27

We struggle to represent lower tropospheric temperature and moisture profiles and surface fluxes in Artic winter using weather and climate models, partly because they lack or misrepresent physical processes that are specific to high latitudes. Observations have revealed two preferred states of the Arctic winter boundary layer. In the cloudy state, cloud liquid water limits surface radiative cooling, and temperature inversions are weak and elevated. In the radiatively clear state, strong surface radiative cooling leads to the build-up of surface-based temperature inversions. Many large-scale models lack the cloudy state, and some substantially underestimate inversion strength in the clear state. Themore » transformation from a moist to a cold dry air mass is modeled using an idealized Lagrangian perspective. The trajectory includes both boundary layer states, and the single-column experiment is the first Lagrangian Arctic air formation experiment (Larcform 1) organized within GEWEX GASS (Global atmospheric system studies). The intercomparison reproduces the typical biases of large-scale models: some models lack the cloudy state of the boundary layer due to the representation of mixed-phase microphysics or to the interaction between micro- and macrophysics. In some models, high emissivities of ice clouds or the lack of an insulating snow layer prevent the build-up of surface-based inversions in the radiatively clear state. Models substantially disagree on the amount of cloud liquid water in the cloudy state and on turbulent heat fluxes under clear skies. Finally, observations of air mass transformations including both boundary layer states would allow for a tighter constraint of model behavior.« less

Select strengths and biases of models in representing the Arctic winter boundary layer over sea ice: the Larcform 1 single column model intercomparison

PubMed Central

Pithan, Felix; Ackerman, Andrew; Angevine, Wayne M.; Hartung, Kerstin; Ickes, Luisa; Kelley, Maxwell; Medeiros, Brian; Sandu, Irina; Steeneveld, Gert-Jan; Sterk, HAM; Svensson, Gunilla; Vaillancourt, Paul A.; Zadra, Ayrton

2017-01-01

Weather and climate models struggle to represent lower tropospheric temperature and moisture profiles and surface fluxes in Arctic winter, partly because they lack or misrepresent physical processes that are specific to high latitudes. Observations have revealed two preferred states of the Arctic winter boundary layer. In the cloudy state, cloud liquid water limits surface radiative cooling, and temperature inversions are weak and elevated. In the radiatively clear state, strong surface radiative cooling leads to the build-up of surface-based temperature inversions. Many large-scale models lack the cloudy state, and some substantially underestimate inversion strength in the clear state. Here, the transformation from a moist to a cold dry air mass is modelled using an idealized Lagrangian perspective. The trajectory includes both boundary layer states, and the single-column experiment is the first Lagrangian Arctic air formation experiment (Larcform 1) organized within GEWEX GASS (Global atmospheric system studies). The intercomparison reproduces the typical biases of large-scale models: Some models lack the cloudy state of the boundary layer due to the representation of mixed-phase micro-physics or to the interaction between micro-and macrophysics. In some models, high emissivities of ice clouds or the lack of an insulating snow layer prevent the build-up of surface-based inversions in the radiatively clear state. Models substantially disagree on the amount of cloud liquid water in the cloudy state and on turbulent heat fluxes under clear skies. Observations of air mass transformations including both boundary layer states would allow for a tighter constraint of model behaviour. PMID:28966718

Select strengths and biases of models in representing the Arctic winter boundary layer over sea ice: the Larcform 1 single column model intercomparison.

PubMed

Pithan, Felix; Ackerman, Andrew; Angevine, Wayne M; Hartung, Kerstin; Ickes, Luisa; Kelley, Maxwell; Medeiros, Brian; Sandu, Irina; Steeneveld, Gert-Jan; Sterk, Ham; Svensson, Gunilla; Vaillancourt, Paul A; Zadra, Ayrton

2016-09-01

Weather and climate models struggle to represent lower tropospheric temperature and moisture profiles and surface fluxes in Arctic winter, partly because they lack or misrepresent physical processes that are specific to high latitudes. Observations have revealed two preferred states of the Arctic winter boundary layer. In the cloudy state, cloud liquid water limits surface radiative cooling, and temperature inversions are weak and elevated. In the radiatively clear state, strong surface radiative cooling leads to the build-up of surface-based temperature inversions. Many large-scale models lack the cloudy state, and some substantially underestimate inversion strength in the clear state. Here, the transformation from a moist to a cold dry air mass is modelled using an idealized Lagrangian perspective. The trajectory includes both boundary layer states, and the single-column experiment is the first L agrangian Arc tic air form ation experiment (Larcform 1) organized within GEWEX GASS (Global atmospheric system studies). The intercomparison reproduces the typical biases of large-scale models: Some models lack the cloudy state of the boundary layer due to the representation of mixed-phase micro-physics or to the interaction between micro-and macrophysics. In some models, high emissivities of ice clouds or the lack of an insulating snow layer prevent the build-up of surface-based inversions in the radiatively clear state. Models substantially disagree on the amount of cloud liquid water in the cloudy state and on turbulent heat fluxes under clear skies. Observations of air mass transformations including both boundary layer states would allow for a tighter constraint of model behaviour.

Aberrant antibody affinity selection in SHIP-deficient B cells.

PubMed

Leung, Wai-Hang; Tarasenko, Tatiana; Biesova, Zuzana; Kole, Hemanta; Walsh, Elizabeth R; Bolland, Silvia

2013-02-01

The strength of the Ag receptor signal influences development and negative selection of B cells, and it might also affect B-cell survival and selection in the GC. Here, we have used mice with B-cell-specific deletion of the 5'-inositol phosphatase SHIP as a model to study affinity selection in cells that are hyperresponsive to Ag and cytokine receptor stimulation. In the absence of SHIP, B cells have lower thresholds for Ag- and interferon (IFN)-induced activation, resulting in augmented negative selection in the BM and enhanced B-cell maturation in the periphery. Despite a tendency to spontaneously downregulate surface IgM expression, SHIP deficiency does not alter anergy induction in response to soluble hen-egg lysozyme Ag in the MDA4 transgenic model. SHIP-deficient B cells spontaneously produce isotype-switched antibodies; however, they are poor responders in immunization and infection models. While SHIP-deficient B cells form GCs and undergo mutation, they are not properly selected for high-affinity antibodies. These results illustrate the importance of negative regulation of B-cell responses, as lower thresholds for B-cell activation promote survival of low affinity and deleterious receptors to the detriment of optimal Ab affinity maturation. © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Modelling the perceptual similarity of facial expressions from image statistics and neural responses.

PubMed

Sormaz, Mladen; Watson, David M; Smith, William A P; Young, Andrew W; Andrews, Timothy J

2016-04-01

The ability to perceive facial expressions of emotion is essential for effective social communication. We investigated how the perception of facial expression emerges from the image properties that convey this important social signal, and how neural responses in face-selective brain regions might track these properties. To do this, we measured the perceptual similarity between expressions of basic emotions, and investigated how this is reflected in image measures and in the neural response of different face-selective regions. We show that the perceptual similarity of different facial expressions (fear, anger, disgust, sadness, happiness) can be predicted by both surface and feature shape information in the image. Using block design fMRI, we found that the perceptual similarity of expressions could also be predicted from the patterns of neural response in the face-selective posterior superior temporal sulcus (STS), but not in the fusiform face area (FFA). These results show that the perception of facial expression is dependent on the shape and surface properties of the image and on the activity of specific face-selective regions. Copyright © 2016 Elsevier Inc. All rights reserved.

Nanoporous membranes with electrochemically switchable, chemically stabilized ionic selectivity

NASA Astrophysics Data System (ADS)

Small, Leo J.; Wheeler, David R.; Spoerke, Erik D.

2015-10-01

Nanopore size, shape, and surface charge all play important roles in regulating ionic transport through nanoporous membranes. The ability to control these parameters in situ provides a means to create ion transport systems tunable in real time. Here, we present a new strategy to address this challenge, utilizing three unique electrochemically switchable chemistries to manipulate the terminal functional group and control the resulting surface charge throughout ensembles of gold plated nanopores in ion-tracked polycarbonate membranes 3 cm2 in area. We demonstrate the diazonium mediated surface functionalization with (1) nitrophenyl chemistry, (2) quinone chemistry, and (3) previously unreported trimethyl lock chemistry. Unlike other works, these chemistries are chemically stabilized, eliminating the need for a continuously applied gate voltage to maintain a given state and retain ionic selectivity. The effect of surface functionalization and nanopore geometry on selective ion transport through these functionalized membranes is characterized in aqueous solutions of sodium chloride at pH = 5.7. The nitrophenyl surface allows for ionic selectivity to be irreversibly switched in situ from cation-selective to anion-selective upon reduction to an aminophenyl surface. The quinone-terminated surface enables reversible changes between no ionic selectivity and a slight cationic selectivity. Alternatively, the trimethyl lock allows ionic selectivity to be reversibly switched by up to a factor of 8, approaching ideal selectivity, as a carboxylic acid group is electrochemically revealed or hidden. By varying the pore shape from cylindrical to conical, it is demonstrated that a controllable directionality can be imparted to the ionic selectivity. Combining control of nanopore geometry with stable, switchable chemistries facilitates superior control of molecular transport across the membrane, enabling tunable ion transport systems.Nanopore size, shape, and surface charge all play important roles in regulating ionic transport through nanoporous membranes. The ability to control these parameters in situ provides a means to create ion transport systems tunable in real time. Here, we present a new strategy to address this challenge, utilizing three unique electrochemically switchable chemistries to manipulate the terminal functional group and control the resulting surface charge throughout ensembles of gold plated nanopores in ion-tracked polycarbonate membranes 3 cm2 in area. We demonstrate the diazonium mediated surface functionalization with (1) nitrophenyl chemistry, (2) quinone chemistry, and (3) previously unreported trimethyl lock chemistry. Unlike other works, these chemistries are chemically stabilized, eliminating the need for a continuously applied gate voltage to maintain a given state and retain ionic selectivity. The effect of surface functionalization and nanopore geometry on selective ion transport through these functionalized membranes is characterized in aqueous solutions of sodium chloride at pH = 5.7. The nitrophenyl surface allows for ionic selectivity to be irreversibly switched in situ from cation-selective to anion-selective upon reduction to an aminophenyl surface. The quinone-terminated surface enables reversible changes between no ionic selectivity and a slight cationic selectivity. Alternatively, the trimethyl lock allows ionic selectivity to be reversibly switched by up to a factor of 8, approaching ideal selectivity, as a carboxylic acid group is electrochemically revealed or hidden. By varying the pore shape from cylindrical to conical, it is demonstrated that a controllable directionality can be imparted to the ionic selectivity. Combining control of nanopore geometry with stable, switchable chemistries facilitates superior control of molecular transport across the membrane, enabling tunable ion transport systems. Electronic supplementary information (ESI) available: Experimental procedures, synthesis, and characterization of molecules 1, 2 and 3. Explanation of the electrochemical method for approximating nanopore diameter. Additional XPS spectra. See DOI: 10.1039/C5NR02939B

Experimental Database with Baseline CFD Solutions: 2-D and Axisymmetric Hypersonic Shock-Wave/Turbulent-Boundary-Layer Interactions

NASA Technical Reports Server (NTRS)

Marvin, Joseph G.; Brown, James L.; Gnoffo, Peter A.

2013-01-01

A database compilation of hypersonic shock-wave/turbulent boundary layer experiments is provided. The experiments selected for the database are either 2D or axisymmetric, and include both compression corner and impinging type SWTBL interactions. The strength of the interactions range from attached to incipient separation to fully separated flows. The experiments were chosen based on criterion to ensure quality of the datasets, to be relevant to NASA's missions and to be useful for validation and uncertainty assessment of CFD Navier-Stokes predictive methods, both now and in the future. An emphasis on datasets selected was on surface pressures and surface heating throughout the interaction, but include some wall shear stress distributions and flowfield profiles. Included, for selected cases, are example CFD grids and setup information, along with surface pressure and wall heating results from simulations using current NASA real-gas Navier-Stokes codes by which future CFD investigators can compare and evaluate physics modeling improvements and validation and uncertainty assessments of future CFD code developments. The experimental database is presented tabulated in the Appendices describing each experiment. The database is also provided in computer-readable ASCII files located on a companion DVD.

Comprehensive design of omnidirectional high-performance perovskite solar cells

PubMed Central

Zhang, Yutao; Xuan, Yimin

2016-01-01

The comprehensive design approach is established with coupled optical-electrical simulation for perovskite-based solar cell, which emerged as one of the most promising competitors to silicon solar cell for its low-cost fabrication and high PCE. The selection of structured surface, effect of geometry parameters, incident angle-dependence and polarization-sensitivity are considered in the simulation. The optical modeling is performed via the finite-difference time-domain method whilst the electrical properties are obtained by solving the coupled nonlinear equations of Poisson, continuity, and drift-diffusion equations. The optical and electrical performances of five different structured surfaces are compared to select a best structured surface for perovskite solar cell. The effects of the geometry parameters on the optical and electrical properties of the perovskite cell are analyzed. The results indicate that the light harvesting is obviously enhanced by the structured surface. The electrical performance can be remarkably improved due to the enhanced light harvesting of the designed best structured surface. The angle-dependence for s- and p-polarizations is investigated. The structured surface exhibits omnidirectional behavior and favorable polarization-insensitive feature within a wide incident angle range. Such a comprehensive design approach can highlight the potential of perovskite cell for power conversion in the full daylight. PMID:27405419

Comprehensive design of omnidirectional high-performance perovskite solar cells.

PubMed

Zhang, Yutao; Xuan, Yimin

2016-07-13

The comprehensive design approach is established with coupled optical-electrical simulation for perovskite-based solar cell, which emerged as one of the most promising competitors to silicon solar cell for its low-cost fabrication and high PCE. The selection of structured surface, effect of geometry parameters, incident angle-dependence and polarization-sensitivity are considered in the simulation. The optical modeling is performed via the finite-difference time-domain method whilst the electrical properties are obtained by solving the coupled nonlinear equations of Poisson, continuity, and drift-diffusion equations. The optical and electrical performances of five different structured surfaces are compared to select a best structured surface for perovskite solar cell. The effects of the geometry parameters on the optical and electrical properties of the perovskite cell are analyzed. The results indicate that the light harvesting is obviously enhanced by the structured surface. The electrical performance can be remarkably improved due to the enhanced light harvesting of the designed best structured surface. The angle-dependence for s- and p-polarizations is investigated. The structured surface exhibits omnidirectional behavior and favorable polarization-insensitive feature within a wide incident angle range. Such a comprehensive design approach can highlight the potential of perovskite cell for power conversion in the full daylight.

Evolution of sparsity and modularity in a model of protein allostery

NASA Astrophysics Data System (ADS)

Hemery, Mathieu; Rivoire, Olivier

2015-04-01

The sequence of a protein is not only constrained by its physical and biochemical properties under current selection, but also by features of its past evolutionary history. Understanding the extent and the form that these evolutionary constraints may take is important to interpret the information in protein sequences. To study this problem, we introduce a simple but physical model of protein evolution where selection targets allostery, the functional coupling of distal sites on protein surfaces. This model shows how the geometrical organization of couplings between amino acids within a protein structure can depend crucially on its evolutionary history. In particular, two scenarios are found to generate a spatial concentration of functional constraints: high mutation rates and fluctuating selective pressures. This second scenario offers a plausible explanation for the high tolerance of natural proteins to mutations and for the spatial organization of their least tolerant amino acids, as revealed by sequence analysis and mutagenesis experiments. It also implies a faculty to adapt to new selective pressures that is consistent with observations. The model illustrates how several independent functional modules may emerge within the same protein structure, depending on the nature of past environmental fluctuations. Our model thus relates the evolutionary history of proteins to the geometry of their functional constraints, with implications for decoding and engineering protein sequences.

Milling strategies evaluation when simulating the forming dies' functional surfaces production

NASA Astrophysics Data System (ADS)

Ižol, Peter; Tomáš, Miroslav; Beňo, Jozef

2016-05-01

The paper deals with selection and evaluation of milling strategies, available in CAM systems and applicable when complicated shape parts are produced, such as forming dies. A method to obtain samples is proposed and this stems from real forming die surface machined by proper strategies. The strategy applicability for the whole part - forming die - is reviewed by the particular specimen evaluation. The presented methodology has been verified by machining model die and comparing it to the production procedure proposed in other CAM systems.

Clusterin Seals the Ocular Surface Barrier in Mouse Dry Eye

PubMed Central

Bauskar, Aditi; Mack, Wendy J.; Mauris, Jerome; Argüeso, Pablo; Heur, Martin; Nagel, Barbara A.; Kolar, Grant R.; Gleave, Martin E.; Nakamura, Takahiro; Kinoshita, Shigeru; Moradian-Oldak, Janet; Panjwani, Noorjahan; Pflugfelder, Stephen C.; Wilson, Mark R.; Fini, M. Elizabeth; Jeong, Shinwu

2015-01-01

Dry eye is a common disorder caused by inadequate hydration of the ocular surface that results in disruption of barrier function. The homeostatic protein clusterin (CLU) is prominent at fluid-tissue interfaces throughout the body. CLU levels are reduced at the ocular surface in human inflammatory disorders that manifest as severe dry eye, as well as in a preclinical mouse model for desiccating stress that mimics dry eye. Using this mouse model, we show here that CLU prevents and ameliorates ocular surface barrier disruption by a remarkable sealing mechanism dependent on attainment of a critical all-or-none concentration. When the CLU level drops below the critical all-or-none threshold, the barrier becomes vulnerable to desiccating stress. CLU binds selectively to the ocular surface subjected to desiccating stress in vivo, and in vitro to the galectin LGALS3, a key barrier component. Positioned in this way, CLU not only physically seals the ocular surface barrier, but it also protects the barrier cells and prevents further damage to barrier structure. These findings define a fundamentally new mechanism for ocular surface protection and suggest CLU as a biotherapeutic for dry eye. PMID:26402857

Clusterin Seals the Ocular Surface Barrier in Mouse Dry Eye.

PubMed

Bauskar, Aditi; Mack, Wendy J; Mauris, Jerome; Argüeso, Pablo; Heur, Martin; Nagel, Barbara A; Kolar, Grant R; Gleave, Martin E; Nakamura, Takahiro; Kinoshita, Shigeru; Moradian-Oldak, Janet; Panjwani, Noorjahan; Pflugfelder, Stephen C; Wilson, Mark R; Fini, M Elizabeth; Jeong, Shinwu

2015-01-01

Dry eye is a common disorder caused by inadequate hydration of the ocular surface that results in disruption of barrier function. The homeostatic protein clusterin (CLU) is prominent at fluid-tissue interfaces throughout the body. CLU levels are reduced at the ocular surface in human inflammatory disorders that manifest as severe dry eye, as well as in a preclinical mouse model for desiccating stress that mimics dry eye. Using this mouse model, we show here that CLU prevents and ameliorates ocular surface barrier disruption by a remarkable sealing mechanism dependent on attainment of a critical all-or-none concentration. When the CLU level drops below the critical all-or-none threshold, the barrier becomes vulnerable to desiccating stress. CLU binds selectively to the ocular surface subjected to desiccating stress in vivo, and in vitro to the galectin LGALS3, a key barrier component. Positioned in this way, CLU not only physically seals the ocular surface barrier, but it also protects the barrier cells and prevents further damage to barrier structure. These findings define a fundamentally new mechanism for ocular surface protection and suggest CLU as a biotherapeutic for dry eye.

Predictive Surface Roughness Model for End Milling of Machinable Glass Ceramic

NASA Astrophysics Data System (ADS)

Mohan Reddy, M.; Gorin, Alexander; Abou-El-Hossein, K. A.

2011-02-01

Advanced ceramics of Machinable glass ceramic is attractive material to produce high accuracy miniaturized components for many applications in various industries such as aerospace, electronics, biomedical, automotive and environmental communications due to their wear resistance, high hardness, high compressive strength, good corrosion resistance and excellent high temperature properties. Many research works have been conducted in the last few years to investigate the performance of different machining operations when processing various advanced ceramics. Micro end-milling is one of the machining methods to meet the demand of micro parts. Selecting proper machining parameters are important to obtain good surface finish during machining of Machinable glass ceramic. Therefore, this paper describes the development of predictive model for the surface roughness of Machinable glass ceramic in terms of speed, feed rate by using micro end-milling operation.

Investigating the Accuracy of Point Clouds Generated for Rock Surfaces

NASA Astrophysics Data System (ADS)

Seker, D. Z.; Incekara, A. H.

2016-12-01

Point clouds which are produced by means of different techniques are widely used to model the rocks and obtain the properties of rock surfaces like roughness, volume and area. These point clouds can be generated by applying laser scanning and close range photogrammetry techniques. Laser scanning is the most common method to produce point cloud. In this method, laser scanner device produces 3D point cloud at regular intervals. In close range photogrammetry, point cloud can be produced with the help of photographs taken in appropriate conditions depending on developing hardware and software technology. Many photogrammetric software which is open source or not currently provide the generation of point cloud support. Both methods are close to each other in terms of accuracy. Sufficient accuracy in the mm and cm range can be obtained with the help of a qualified digital camera and laser scanner. In both methods, field work is completed in less time than conventional techniques. In close range photogrammetry, any part of rock surfaces can be completely represented owing to overlapping oblique photographs. In contrast to the proximity of the data, these two methods are quite different in terms of cost. In this study, whether or not point cloud produced by photographs can be used instead of point cloud produced by laser scanner device is investigated. In accordance with this purpose, rock surfaces which have complex and irregular shape located in İstanbul Technical University Ayazaga Campus were selected as study object. Selected object is mixture of different rock types and consists of both partly weathered and fresh parts. Study was performed on a part of 30m x 10m rock surface. 2D and 3D analysis were performed for several regions selected from the point clouds of the surface models. 2D analysis is area-based and 3D analysis is volume-based. Analysis conclusions showed that point clouds in both are similar and can be used as alternative to each other. This proved that point cloud produced using photographs which are both economical and enables to produce data in less time can be used in several studies instead of point cloud produced by laser scanner.

Optimizing Force Deployment and Force Structure for the Rapid Deployment Force

DTIC Science & Technology

1984-03-01

Analysis . . . . .. .. ... ... 97 Experimental Design . . . . . .. .. .. ... 99 IX. Use of a Flexible Response Surface ........ 10.2 Selection of a...setS . ere designe . arun, programming methodology , where the require: s.stem re..r is input and the model optimizes the num=er. :::pe, cargo. an...to obtain new computer outputs" (Ref 38:23). The methodology can be used with any decision model, linear or nonlinear. Experimental Desion Since the

Microsatellites as targets of natural selection.

PubMed

Haasl, Ryan J; Payseur, Bret A

2013-02-01

The ability to survey polymorphism on a genomic scale has enabled genome-wide scans for the targets of natural selection. Theory that connects patterns of genetic variation to evidence of natural selection most often assumes a diallelic locus and no recurrent mutation. Although these assumptions are suitable to selection that targets single nucleotide variants, fundamentally different types of mutation generate abundant polymorphism in genomes. Moreover, recent empirical results suggest that mutationally complex, multiallelic loci including microsatellites and copy number variants are sometimes targeted by natural selection. Given their abundance, the lack of inference methods tailored to the mutational peculiarities of these types of loci represents a notable gap in our ability to interrogate genomes for signatures of natural selection. Previous theoretical investigations of mutation-selection balance at multiallelic loci include assumptions that limit their application to inference from empirical data. Focusing on microsatellites, we assess the dynamics and population-level consequences of selection targeting mutationally complex variants. We develop general models of a multiallelic fitness surface, a realistic model of microsatellite mutation, and an efficient simulation algorithm. Using these tools, we explore mutation-selection-drift equilibrium at microsatellites and investigate the mutational history and selective regime of the microsatellite that causes Friedreich's ataxia. We characterize microsatellite selective events by their duration and cost, note similarities to sweeps from standing point variation, and conclude that it is premature to label microsatellites as ubiquitous agents of efficient adaptive change. Together, our models and simulation algorithm provide a powerful framework for statistical inference, which can be used to test the neutrality of microsatellites and other multiallelic variants.

Microsatellites as Targets of Natural Selection

PubMed Central

Haasl, Ryan J.; Payseur, Bret A.

2013-01-01

The ability to survey polymorphism on a genomic scale has enabled genome-wide scans for the targets of natural selection. Theory that connects patterns of genetic variation to evidence of natural selection most often assumes a diallelic locus and no recurrent mutation. Although these assumptions are suitable to selection that targets single nucleotide variants, fundamentally different types of mutation generate abundant polymorphism in genomes. Moreover, recent empirical results suggest that mutationally complex, multiallelic loci including microsatellites and copy number variants are sometimes targeted by natural selection. Given their abundance, the lack of inference methods tailored to the mutational peculiarities of these types of loci represents a notable gap in our ability to interrogate genomes for signatures of natural selection. Previous theoretical investigations of mutation-selection balance at multiallelic loci include assumptions that limit their application to inference from empirical data. Focusing on microsatellites, we assess the dynamics and population-level consequences of selection targeting mutationally complex variants. We develop general models of a multiallelic fitness surface, a realistic model of microsatellite mutation, and an efficient simulation algorithm. Using these tools, we explore mutation-selection-drift equilibrium at microsatellites and investigate the mutational history and selective regime of the microsatellite that causes Friedreich’s ataxia. We characterize microsatellite selective events by their duration and cost, note similarities to sweeps from standing point variation, and conclude that it is premature to label microsatellites as ubiquitous agents of efficient adaptive change. Together, our models and simulation algorithm provide a powerful framework for statistical inference, which can be used to test the neutrality of microsatellites and other multiallelic variants. PMID:23104080

Use of single-representative reverse-engineered surface-models for RSA does not affect measurement accuracy and precision.

PubMed

Seehaus, Frank; Schwarze, Michael; Flörkemeier, Thilo; von Lewinski, Gabriela; Kaptein, Bart L; Jakubowitz, Eike; Hurschler, Christof

2016-05-01

Implant migration can be accurately quantified by model-based Roentgen stereophotogrammetric analysis (RSA), using an implant surface model to locate the implant relative to the bone. In a clinical situation, a single reverse engineering (RE) model for each implant type and size is used. It is unclear to what extent the accuracy and precision of migration measurement is affected by implant manufacturing variability unaccounted for by a single representative model. Individual RE models were generated for five short-stem hip implants of the same type and size. Two phantom analyses and one clinical analysis were performed: "Accuracy-matched models": one stem was assessed, and the results from the original RE model were compared with randomly selected models. "Accuracy-random model": each of the five stems was assessed and analyzed using one randomly selected RE model. "Precision-clinical setting": implant migration was calculated for eight patients, and all five available RE models were applied to each case. For the two phantom experiments, the 95%CI of the bias ranged from -0.28 mm to 0.30 mm for translation and -2.3° to 2.5° for rotation. In the clinical setting, precision is less than 0.5 mm and 1.2° for translation and rotation, respectively, except for rotations about the proximodistal axis (<4.1°). High accuracy and precision of model-based RSA can be achieved and are not biased by using a single representative RE model. At least for implants similar in shape to the investigated short-stem, individual models are not necessary. © 2015 Orthopaedic Research Society. Published by Wiley Periodicals, Inc. J Orthop Res 34:903-910, 2016. © 2015 Orthopaedic Research Society. Published by Wiley Periodicals, Inc.

Detecting Montane Meadows in the Tahoe National Forest Using LiDAR and ASTER Imagery

NASA Astrophysics Data System (ADS)

Lorenz, A.; Blesius, L.; Davis, J. D.

2016-12-01

In the Sierra Nevada mountains, meadows provide numerous hydraulic and ecosystem functions such as flood attenuation, groundwater storage, and wildlife habitat. However, many meadows have been degraded from historical land use such as water diversion, grazing, and logging. Land managers have altered management strategies for restoration purposes, but there is a lack of comprehensive data on meadow locations. Previous attempts to inventory Sierra Nevada meadows have included several remote sensing techniques including heads up digitizing and pixel based image analysis, but this has been challenging due to geographic variability, seasonal changes, and meadow health. I present a remote sensing method using multiple return LiDAR (Light Detection and Ranging) and ASTER imagery to detect montane meadows in a subset of the Tahoe National Forest. The project used LiDAR data to create a digital terrain model and digital surface model. From these models, I derived canopy height, surface slope, and watercourse for the entire study area. Literature queries returned known values for canopy height and surface slope characteristic of montane meadows. These values were used to select for possible meadows within the study area. To filter out noise, only contiguous areas greater than one acre that satisfied the queries were used. Finally, 15-meter ASTER imagery was used to de-select for areas such as dirt patches or gravel bars that might have satisfied the previous queries and meadow criteria. When using high resolution aerial imagery to assess model accuracy, preliminary results show user accuracy of greater than 80%. Further validation is still needed to improve the accuracy of modeled meadow delineation. This method allows for meadows to be inventoried without discriminating based on geographic variability, seasonal changes, or meadow health.

Swept Mechanism of Micro-Milling Tool Geometry Effect on Machined Oxygen Free High Conductivity Copper (OFHC) Surface Roughness

PubMed Central

Shi, Zhenyu; Liu, Zhanqiang; Li, Yuchao; Qiao, Yang

2017-01-01

Cutting tool geometry should be very much considered in micro-cutting because it has a significant effect on the topography and accuracy of the machined surface, particularly considering the uncut chip thickness is comparable to the cutting edge radius. The objective of this paper was to clarify the influence of the mechanism of the cutting tool geometry on the surface topography in the micro-milling process. Four different cutting tools including two two-fluted end milling tools with different helix angles of 15° and 30° cutting tools, as well as two three-fluted end milling tools with different helix angles of 15° and 30° were investigated by combining theoretical modeling analysis with experimental research. The tool geometry was mathematically modeled through coordinate translation and transformation to make all three cutting edges at the cutting tool tip into the same coordinate system. Swept mechanisms, minimum uncut chip thickness, and cutting tool run-out were considered on modeling surface roughness parameters (the height of surface roughness Rz and average surface roughness Ra) based on the established mathematical model. A set of cutting experiments was carried out using four different shaped cutting tools. It was found that the sweeping volume of the cutting tool increases with the decrease of both the cutting tool helix angle and the flute number. Great coarse machined surface roughness and more non-uniform surface topography are generated when the sweeping volume increases. The outcome of this research should bring about new methodologies for micro-end milling tool design and manufacturing. The machined surface roughness can be improved by appropriately selecting the tool geometrical parameters. PMID:28772479

Assimilation of Goes-Derived Skin Temperature Tendencies into Mesoscale Models to Improve Forecasts of near Surface Air Temperature and Mixing Ratio

NASA Technical Reports Server (NTRS)

Lapenta, William M.; McNider, Richard T.; Suggs, Ron; Jedlovec, Gary; Robertson, Franklin R.

1998-01-01

A technique has been developed for assimilating GOES-FR skin temperature tendencies into the surface energy budget equation of a mesoscale model so that the simulated rate of temperature chance closely agrees with the satellite observations. A critical assumption of the technique is that the availability of moisture (either from the soil or vegetation) is the least known term in the model's surface energy budget. Therefore, the simulated latent heat flux, which is a function of surface moisture availability, is adjusted based upon differences between the modeled and satellite-observed skin temperature tendencies. An advantage of this technique is that satellite temperature tendencies are assimilated in an energetically consistent manner that avoids energy imbalances and surface stability problems that arise from direct assimilation of surface shelter temperatures. The fact that the rate of change of the satellite skin temperature is used rather than the absolute temperature means that sensor calibration is not as critical. An advantage of this technique for short-range forecasts (0-48 h) is that it does not require a complex land-surface formulation within the atmospheric model. As a result, the need to specify poorly known soil and vegetative characteristics is eliminated. The GOES assimilation technique has been incorporated into the PSU/NCAR MM5. Results will be presented to demonstrate the ability of the assimilation scheme to improve short- term (0-48h) simulations of near-surface air temperature and mixing ratio during the warm season for several selected cases which exhibit a variety of atmospheric and land-surface conditions. In addition, validation of terms in the simulated surface energy budget will be presented using in situ data collected at the Southern Great Plains (SGP) Cloud And Radiation Testbed (CART) site as part of the Atmospheric Radiation Measurements Program (ARM).

Effect of correlation on covariate selection in linear and nonlinear mixed effect models.

PubMed

Bonate, Peter L

2017-01-01

The effect of correlation among covariates on covariate selection was examined with linear and nonlinear mixed effect models. Demographic covariates were extracted from the National Health and Nutrition Examination Survey III database. Concentration-time profiles were Monte Carlo simulated where only one covariate affected apparent oral clearance (CL/F). A series of univariate covariate population pharmacokinetic models was fit to the data and compared with the reduced model without covariate. The "best" covariate was identified using either the likelihood ratio test statistic or AIC. Weight and body surface area (calculated using Gehan and George equation, 1970) were highly correlated (r = 0.98). Body surface area was often selected as a better covariate than weight, sometimes as high as 1 in 5 times, when weight was the covariate used in the data generating mechanism. In a second simulation, parent drug concentration and three metabolites were simulated from a thorough QT study and used as covariates in a series of univariate linear mixed effects models of ddQTc interval prolongation. The covariate with the largest significant LRT statistic was deemed the "best" predictor. When the metabolite was formation-rate limited and only parent concentrations affected ddQTc intervals the metabolite was chosen as a better predictor as often as 1 in 5 times depending on the slope of the relationship between parent concentrations and ddQTc intervals. A correlated covariate can be chosen as being a better predictor than another covariate in a linear or nonlinear population analysis by sheer correlation These results explain why for the same drug different covariates may be identified in different analyses. Copyright © 2016 John Wiley & Sons, Ltd. Copyright © 2016 John Wiley & Sons, Ltd.

A feature-based approach to modeling protein–protein interaction hot spots

PubMed Central

Cho, Kyu-il; Kim, Dongsup; Lee, Doheon

2009-01-01

Identifying features that effectively represent the energetic contribution of an individual interface residue to the interactions between proteins remains problematic. Here, we present several new features and show that they are more effective than conventional features. By combining the proposed features with conventional features, we develop a predictive model for interaction hot spots. Initially, 54 multifaceted features, composed of different levels of information including structure, sequence and molecular interaction information, are quantified. Then, to identify the best subset of features for predicting hot spots, feature selection is performed using a decision tree. Based on the selected features, a predictive model for hot spots is created using support vector machine (SVM) and tested on an independent test set. Our model shows better overall predictive accuracy than previous methods such as the alanine scanning methods Robetta and FOLDEF, and the knowledge-based method KFC. Subsequent analysis yields several findings about hot spots. As expected, hot spots have a larger relative surface area burial and are more hydrophobic than other residues. Unexpectedly, however, residue conservation displays a rather complicated tendency depending on the types of protein complexes, indicating that this feature is not good for identifying hot spots. Of the selected features, the weighted atomic packing density, relative surface area burial and weighted hydrophobicity are the top 3, with the weighted atomic packing density proving to be the most effective feature for predicting hot spots. Notably, we find that hot spots are closely related to π–related interactions, especially π · · · π interactions. PMID:19273533

Ups and Downs in the Ocean: Effects of Biofouling on Vertical Transport of Microplastics.

PubMed

Kooi, Merel; Nes, Egbert H van; Scheffer, Marten; Koelmans, Albert A

2017-07-18

Recent studies suggest size-selective removal of small plastic particles from the ocean surface, an observation that remains unexplained. We studied one of the hypotheses regarding this size-selective removal: the formation of a biofilm on the microplastics (biofouling). We developed the first theoretical model that is capable of simulating the effect of biofouling on the fate of microplastic. The model is based on settling, biofilm growth, and ocean depth profiles for light, water density, temperature, salinity, and viscosity. Using realistic parameters, the model simulates the vertical transport of small microplastic particles over time, and predicts that the particles either float, sink to the ocean floor, or oscillate vertically, depending on the size and density of the particle. The predicted size-dependent vertical movement of microplastic particles results in a maximum concentration at intermediate depths. Consequently, relatively low abundances of small particles are predicted at the ocean surface, while at the same time these small particles may never reach the ocean floor. Our results hint at the fate of "lost" plastic in the ocean, and provide a start for predicting risks of exposure to microplastics for potentially vulnerable species living at these depths.

Blockage and flow studies of a generalized test apparatus including various wing configurations in the Langley 7-inch Mach 7 Pilot Tunnel

NASA Astrophysics Data System (ADS)

Albertson, C. W.

1982-03-01

A 1/12th scale model of the Curved Surface Test Apparatus (CSTA), which will be used to study aerothermal loads and evaluate Thermal Protection Systems (TPS) on a fuselage-type configuration in the Langley 8-Foot High Temperature Structures Tunnel (8 ft HTST), was tested in the Langley 7-Inch Mach 7 Pilot Tunnel. The purpose of the tests was to study the overall flow characteristics and define an envelope for testing the CSTA in the 8 ft HTST. Wings were tested on the scaled CSTA model to select a wing configuration with the most favorable characteristics for conducting TPS evaluations for curved and intersecting surfaces. The results indicate that the CSTA and selected wing configuration can be tested at angles of attack up to 15.5 and 10.5 degrees, respectively. The base pressure for both models was at the expected low level for most test conditions. Results generally indicate that the CSTA and wing configuration will provide a useful test bed for aerothermal pads and thermal structural concept evaluation over a broad range of flow conditions in the 8 ft HTST.

Blockage and flow studies of a generalized test apparatus including various wing configurations in the Langley 7-inch Mach 7 Pilot Tunnel

NASA Technical Reports Server (NTRS)

Albertson, C. W.

1982-01-01

A 1/12th scale model of the Curved Surface Test Apparatus (CSTA), which will be used to study aerothermal loads and evaluate Thermal Protection Systems (TPS) on a fuselage-type configuration in the Langley 8-Foot High Temperature Structures Tunnel (8 ft HTST), was tested in the Langley 7-Inch Mach 7 Pilot Tunnel. The purpose of the tests was to study the overall flow characteristics and define an envelope for testing the CSTA in the 8 ft HTST. Wings were tested on the scaled CSTA model to select a wing configuration with the most favorable characteristics for conducting TPS evaluations for curved and intersecting surfaces. The results indicate that the CSTA and selected wing configuration can be tested at angles of attack up to 15.5 and 10.5 degrees, respectively. The base pressure for both models was at the expected low level for most test conditions. Results generally indicate that the CSTA and wing configuration will provide a useful test bed for aerothermal pads and thermal structural concept evaluation over a broad range of flow conditions in the 8 ft HTST.

77 FR 48107 - Workshop on Performance Assessments of Near-Surface Disposal Facilities: FEPs Analysis, Scenario...

Federal Register 2010, 2011, 2012, 2013, 2014

2012-08-13

...) disposal facilities. The workshop has been developed to facilitate communication among Federal and State... and conceptual models, and (3) the selection of computer codes. Information gathered from invited.... NRC Public Meeting The purpose of this public meeting is to facilitate communication and gather...

Hydrologic connectivity between geographically isolated wetlands and surface water systems: A review of select modeling methods

EPA Science Inventory

Rulings in 2001 and 2006 by the United States Supreme Court concerning the protection of Geographically Isolated Wetlands (GIWs) unveiled a critical area of research: quantifying the extent of potential hydrologic connectivity of GIWs to navigable waters and their effects at a va...

USING BAYESIAN SPATIAL MODELS TO FACILITATE WATER QUALITY MONITORING

EPA Science Inventory

The Clean Water Act of 1972 requires states to monitor the quality of their surface water. The number of sites sampled on streams and rivers varies widely by state. A few states are now using probability survey designs to select sites, while most continue to rely on other proce...

Regional mapping of aerosol population and surface albedo of Titan by the massive inversion of the Cassini/VIMS dataset

NASA Astrophysics Data System (ADS)

Rodriguez, S.; Cornet, T.; Maltagliati, L.; Appéré, T.; Le Mouelic, S.; Sotin, C.; Barnes, J. W.; Brown, R. H.

2017-12-01

Mapping Titan's surface albedo is a necessary step to give reliable constraints on its composition. However, even after the end of the Cassini mission, surface albedo maps of Titan, especially over large regions, are still very rare, the surface windows being strongly affected by atmospheric contributions (absorption, scattering). A full radiative transfer model is an essential tool to remove these effects, but too time-consuming to treat systematically the 50000 hyperspectral images VIMS acquired since the beginning of the mission. We developed a massive inversion of VIMS data based on lookup tables computed from a state-of-the-art radiative transfer model in pseudo-spherical geometry, updated with new aerosol properties coming from our analysis of observations acquired recently by VIMS (solar occultations and emission phase curves). Once the physical properties of gases, aerosols and surface are fixed, the lookup tables are built for the remaining free parameters: the incidence, emergence and azimuth angles, given by navigation; and two products (the aerosol opacity and the surface albedo at all wavelengths). The lookup table grid was carefully selected after thorough testing. The data inversion on these pre-computed spectra (opportunely interpolated) is more than 1000 times faster than recalling the full radiative transfer at each minimization step. We present here the results from selected flybys. We invert mosaics composed by couples of flybys observing the same area at two different times. The composite albedo maps do not show significant discontinuities in any of the surface windows, suggesting a robust correction of the effects of the geometry (and thus the aerosols) on the observations. Maps of aerosol and albedo uncertainties are also provided, along with absolute errors. We are thus able to provide reliable surface albedo maps at pixel scale for entire regions of Titan and for the whole VIMS spectral range.

Influence of Wire Electrical Discharge Machining (WEDM) process parameters on surface roughness

NASA Astrophysics Data System (ADS)

Yeakub Ali, Mohammad; Banu, Asfana; Abu Bakar, Mazilah

2018-01-01

In obtaining the best quality of engineering components, the quality of machined parts surface plays an important role. It improves the fatigue strength, wear resistance, and corrosion of workpiece. This paper investigates the effects of wire electrical discharge machining (WEDM) process parameters on surface roughness of stainless steel using distilled water as dielectric fluid and brass wire as tool electrode. The parameters selected are voltage open, wire speed, wire tension, voltage gap, and off time. Empirical model was developed for the estimation of surface roughness. The analysis revealed that off time has a major influence on surface roughness. The optimum machining parameters for minimum surface roughness were found to be at a 10 V open voltage, 2.84 μs off time, 12 m/min wire speed, 6.3 N wire tension, and 54.91 V voltage gap.

HCMM satellite follow-on investigation no. 25. Soil moisture and heat budget evalution in selected European zones of agricultural and environmental interest (TELLUS project)

NASA Technical Reports Server (NTRS)

1980-01-01

A simple procedure to evaluate actual evaporation was derived by linearizing the surface energy balance equation, using Taylor's expansion. The original multidimensional hypersurface could be reduced to a linear relationship between evaporation and surface temperature or to a surface relationship involving evaporation, surface temperature and albedo. This procedure permits a rapid sensitivity analysis of the surface energy balance equation as well as a speedy mapping of evaporation from remotely sensed surface temperatures and albedo. Comparison with experimental data yielded promising results. The validity of evapotranspiration and soil moisture models in semiarid conditions was tested. Wheat was the crop chosen for a continuous measurement campaign made in the south of Italy. Radiometric, micrometeorologic, agronomic and soil data were collected for processing and interpretation.

Modelling the aqueous and nonaqueous interfaces for CO2 electro-reduction over Sn catalysts

NASA Astrophysics Data System (ADS)

Sheng, Tian; Sun, Shi-Gang

2018-01-01

In CO2 electroreduction, Sn catalysts with a high overpotential for hydrogen evolution reaction and a high selectivity towards formic acid formation are very attractive. Many efforts have been made for improving the catalytic performance and for understanding the mechanisms. In electrochemistry, the role of solvents for surface reactions was deserved to be investigated, in particular for some nonaqueous solvents. Here, we have modeled the aqueous (water) and nonaqueous (acetonitrile and dichloromethane) for investigation of CO2 electroreduction on Sn surface, by constrained ab initio molecular dynamics simulations and thermodynamic integrations, including a number of explicit solvent molecules in computational models. It was found that CO2 reduction is initiated from formate formation and solvents, in particular, water can effectively facilitate the reaction.

Three-dimensional object surface identification

NASA Astrophysics Data System (ADS)

Celenk, Mehmet

1995-03-01

This paper describes a computationally efficient matching method for inspecting 3D objects using their serial cross sections. Object regions of interest in cross-sectional binary images of successive slices are aligned with those of the models. Cross-sectional differences between the object and the models are measured in the direction of the gradient of the cross section boundary. This is repeated in all the cross-sectional images. The model with minimum average cross-sectional difference is selected as the best match to the given object (i.e., no defect). The method is tested using various computer generated surfaces and matching results are presented. It is also demonstrated using Symult S-2010 16-node system that the method is suitable for parallel implementation in massage passing processors with the maximum attainable speedup (close to 16 for S-2010).

Predicting the diurnal blue-sky albedo of soils using their laboratory reflectance spectra and roughness indices

NASA Astrophysics Data System (ADS)

Cierniewski, Jerzy; Ceglarek, Jakub; Karnieli, Arnon; Królewicz, Sławomir; Kaźmierowski, Cezary; Zagajewski, Bogdan

2017-10-01

The objective of this study was to assess the relationship between the hyperspectral reflectance of soils and their albedo, measured under various roughness conditions. 108 soil surface measurements were conducted in Poland and Israel. Each surface was characterised by its diurnal albedo variation in the field as well as by its reflectance spectra obtained in the laboratory. The best fit to the model was achieved by post-processing manipulation of the spectra, namely second derivate transformation. Using a stepwise elimination process, four spectral wavelengths and the roughness index were selected for modelling. The resulting models allowed the albedo of a soil to be predicted for its different roughness states and any solar zenith angle, provided that hyperspectral reflectance data is available.

Monte Carlo Solution to Find Input Parameters in Systems Design Problems

NASA Astrophysics Data System (ADS)

Arsham, Hossein

2013-06-01

Most engineering system designs, such as product, process, and service design, involve a framework for arriving at a target value for a set of experiments. This paper considers a stochastic approximation algorithm for estimating the controllable input parameter within a desired accuracy, given a target value for the performance function. Two different problems, what-if and goal-seeking problems, are explained and defined in an auxiliary simulation model, which represents a local response surface model in terms of a polynomial. A method of constructing this polynomial by a single run simulation is explained. An algorithm is given to select the design parameter for the local response surface model. Finally, the mean time to failure (MTTF) of a reliability subsystem is computed and compared with its known analytical MTTF value for validation purposes.

Cavity-mode selection in spontaneous emission from oriented molecules in a microparticle.

PubMed

Arnold, S; Holler, S; Goddard, N L; Griffel, G

1997-10-01

We observe preferential cavity-mode selection in spontaneous emission by oriented molecules at the surface of a microparticle. Polarization-analyzed images of a levitated microdroplet containing surface active molecules reveal a well-defined system in terms of molecular position and orientation. The measured fluorescence spectrum is compared with that of a semiclassical emission-rate-enhancement model that treats the coupling between an excited state and Mie resonances as an oscillating dipole interacting with its self-scattered field. By comparing results obtained with this theory with the relative strengths of TE to TM modes measured in the emission spectrum, we show that one can elucidate the heterogeneity of a particle from this resonant structure and determine the orientation of the emission moments relative to the phase boundary.

Frequency-Selective Surface to Determine Permittivity of Industrial Oil and Effect of Nanoparticle Addition in X-Band

NASA Astrophysics Data System (ADS)

Jafari, Fereshteh Sadat; Ahmadi-Shokouh, Javad

2018-02-01

A frequency-selective surface (FSS) structure is proposed for characterization of the permittivity of industrial oil using a transmission/reflection (TR) measurement scheme in the X-band. Moreover, a parameter study is presented to distinguish the dielectric constant and loss characteristics of test materials. To model the loss empirically, we used CuO nanoparticles artificially mixed with an industrial oil. In this study, the resonant frequency of the FSS is the basic parameter used to determine the material characteristics, including resonance properties such as the magnitude of transmission ( S 21), bandwidth, and frequency shift. The results reveal that the proposed FSS structure and setup can act well as a sensor for characterization of the dielectric properties of industrial oil.

A practical double-sided frequency selective surface for millimeter-wave applications

NASA Astrophysics Data System (ADS)

Mohyuddin, Wahab; Woo, Dong Sik; Choi, Hyun Chul; Kim, Kang Wook

2018-02-01

Analysis, design, and implementation of a practical, high-rejection frequency selective surface (FSS) are presented in this paper. An equivalent circuit model is introduced for predicting the frequency response of the FSS. The FSS consists of periodic square loop structures fabricated on both sides of the thin dielectric substrate by using the low-cost chemical etching technique. The proposed FSS possesses band-stop characteristics and is implemented to suppress the 170 GHz signal with attenuation of more than 45 dB with insensitivity to an angle of incident plane wave over 20°. Good agreement is observed among calculated, simulated, and measured results. The proposed FSS filter can be used in various millimeter-wave applications such as the protection of imaging diagnostic systems from high spurious input power.

Specific material recognition by small peptides mediated by the interfacial solvent structure.

PubMed

Schneider, Julian; Ciacchi, Lucio Colombi

2012-02-01

We present evidence that specific material recognition by small peptides is governed by local solvent density variations at solid/liquid interfaces, sensed by the side-chain residues with atomic-scale precision. In particular, we unveil the origin of the selectivity of the binding motif RKLPDA for Ti over Si using a combination of metadynamics and steered molecular dynamics simulations, obtaining adsorption free energies and adhesion forces in quantitative agreement with corresponding experiments. For an accurate description, we employ realistic models of the natively oxidized surfaces which go beyond the commonly used perfect crystal surfaces. These results have profound implications for nanotechnology and materials science applications, offering a previously missing structure-function relationship for the rational design of materials-selective peptide sequences. © 2011 American Chemical Society

Descriptors and Thermodynamic Limitations of Electrocatalytic Carbon Dioxide Reduction on Rutile Oxide Surfaces.

PubMed

Bhowmik, Arghya; Vegge, Tejs; Hansen, Heine A

2016-11-23

A detailed understanding of the electrochemical reduction of CO 2 into liquid fuels on rutile metal oxide surfaces is developed by using DFT calculations. We consider oxide overlayer structures on RuO 2 (1 1 0) surfaces as model catalysts to elucidate the trends and limitations in the CO 2 reduction reaction (CO2RR) based on thermodynamic analysis. We aim to specify the requirements for CO2RR catalysts to establish adsorbate scaling relations and use these to derive activity volcanoes. Computational results show that the OH* binding free energy is a good descriptor of the thermodynamic limitations and it defines the left leg of the activity volcano for CO2RR. HCOOH* is a key intermediate for products formed through further reduction, for example, methanediol, methanol, and methane. The surfaces that do not bind HCOOH* are selective towards formic acid (HCOOH) production, but hydrogen evolution limits their suitability. We determine the ideal binding free energy for H* and OH* to facilitate selective CO2RR over H 2 /CO evolution to be ΔG B [H]>0.5 eV and -0.5 eV<ΔG B [OH]<0.1 eV. The Re-containing overlayers considered in this work display excellent promise for selectivity, although they are active at a highly reducing potential. © 2016 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

RNA Aptamer-Based Functional Ligands of the Neurotrophin Receptor, TrkB

PubMed Central

Huang, Yang Zhong; Hernandez, Frank J.; Gu, Bin; Stockdale, Katie R.; Nanapaneni, Kishore; Scheetz, Todd E.; Behlke, Mark A.; Peek, Andrew S.; Bair, Thomas; Giangrande, Paloma H.

2012-01-01

Many cell surface signaling receptors, such as the neurotrophin receptor, TrkB, have emerged as potential therapeutic targets for diverse diseases. Reduced activation of TrkB in particular is thought to contribute to neurodegenerative diseases. Unfortunately, development of therapeutic reagents that selectively activate particular cell surface receptors such as TrkB has proven challenging. Like many cell surface signaling receptors, TrkB is internalized upon activation; in this proof-of-concept study, we exploited this fact to isolate a pool of nuclease-stabilized RNA aptamers enriched for TrkB agonists. One of the selected aptamers, C4-3, was characterized with recombinant protein-binding assays, cell-based signaling and functional assays, and, in vivo in a seizure model in mice. C4-3 binds the extracellular domain of TrkB with high affinity (KD ∼2 nM) and exhibits potent TrkB partial agonistic activity and neuroprotective effects in cultured cortical neurons. In mice, C4-3 activates TrkB upon infusion into the hippocampus; systemic administration of C4-3 potentiates kainic acid-induced seizure development. We conclude that C4-3 is a potentially useful therapeutic agent for neurodegenerative diseases in which reduced TrkB activation has been implicated. We anticipate that the cell-based aptamer selection approach used here will be broadly applicable to the identification of aptamer-based agonists for a variety of cell-surface signaling receptors. PMID:22752556

The atmospheric boundary layer — advances in knowledge and application

NASA Astrophysics Data System (ADS)

Garratt, J. R.; Hess, G. D.; Physick, W. L.; Bougeault, P.

1996-02-01

We summarise major activities and advances in boundary-layer knowledge in the 25 years since 1970, with emphasis on the application of this knowledge to surface and boundary-layer parametrisation schemes in numerical models of the atmosphere. Progress in three areas is discussed: (i) the mesoscale modelling of selected phenomena; (ii) numerical weather prediction; and (iii) climate simulations. Future trends are identified, including the incorporation into models of advanced cloud schemes and interactive canopy schemes, and the nesting of high resolution boundary-layer schemes in global climate models.

Design Optimization of a Centrifugal Fan with Splitter Blades

NASA Astrophysics Data System (ADS)

Heo, Man-Woong; Kim, Jin-Hyuk; Kim, Kwang-Yong

2015-05-01

Multi-objective optimization of a centrifugal fan with additionally installed splitter blades was performed to simultaneously maximize the efficiency and pressure rise using three-dimensional Reynolds-averaged Navier-Stokes equations and hybrid multi-objective evolutionary algorithm. Two design variables defining the location of splitter, and the height ratio between inlet and outlet of impeller were selected for the optimization. In addition, the aerodynamic characteristics of the centrifugal fan were investigated with the variation of design variables in the design space. Latin hypercube sampling was used to select the training points, and response surface approximation models were constructed as surrogate models of the objective functions. With the optimization, both the efficiency and pressure rise of the centrifugal fan with splitter blades were improved considerably compared to the reference model.

The modelling routes for the chemical vapour deposition process: application to Si 1- xGe x deposition

NASA Astrophysics Data System (ADS)

Pons, M.; Bernard, C.; Rouch, H.; Madar, R.

1995-10-01

The purpose of this article is to present the modelling routes for the chemical vapour deposition process with a special emphasis on mass transport models with near local thermochemical equilibrium imposed in the gas-phase and at the deposition surface. The theoretical problems arising from the linking of the two selected approaches, thermodynamics and mass transport, are shown and a solution procedure is proposed. As an illustration, selected results of thermodynamic and mass transport analysis and of the coupled approach showed that, for the deposition of Si 1- xGe x solid solution at 1300 K (system SiGeClHAr), the thermodynamic heterogeneous stability of the reactive gases and the thermal diffusion led to the germanium depletion of the deposit.

Study of Huizhou architecture component point cloud in surface reconstruction

NASA Astrophysics Data System (ADS)

Zhang, Runmei; Wang, Guangyin; Ma, Jixiang; Wu, Yulu; Zhang, Guangbin

2017-06-01

Surface reconfiguration softwares have many problems such as complicated operation on point cloud data, too many interaction definitions, and too stringent requirements for inputing data. Thus, it has not been widely popularized so far. This paper selects the unique Huizhou Architecture chuandou wooden beam framework as the research object, and presents a complete set of implementation in data acquisition from point, point cloud preprocessing and finally implemented surface reconstruction. Firstly, preprocessing the acquired point cloud data, including segmentation and filtering. Secondly, the surface’s normals are deduced directly from the point cloud dataset. Finally, the surface reconstruction is studied by using Greedy Projection Triangulation Algorithm. Comparing the reconstructed model with the three-dimensional surface reconstruction softwares, the results show that the proposed scheme is more smooth, time efficient and portable.

Lateral-Directional Parameter Estimation on the X-48B Aircraft Using an Abstracted, Multi-Objective Effector Model

NASA Technical Reports Server (NTRS)

Ratnayake, Nalin A.; Waggoner, Erin R.; Taylor, Brian R.

2011-01-01

The problem of parameter estimation on hybrid-wing-body aircraft is complicated by the fact that many design candidates for such aircraft involve a large number of aerodynamic control effectors that act in coplanar motion. This adds to the complexity already present in the parameter estimation problem for any aircraft with a closed-loop control system. Decorrelation of flight and simulation data must be performed in order to ascertain individual surface derivatives with any sort of mathematical confidence. Non-standard control surface configurations, such as clamshell surfaces and drag-rudder modes, further complicate the modeling task. In this paper, time-decorrelation techniques are applied to a model structure selected through stepwise regression for simulated and flight-generated lateral-directional parameter estimation data. A virtual effector model that uses mathematical abstractions to describe the multi-axis effects of clamshell surfaces is developed and applied. Comparisons are made between time history reconstructions and observed data in order to assess the accuracy of the regression model. The Cram r-Rao lower bounds of the estimated parameters are used to assess the uncertainty of the regression model relative to alternative models. Stepwise regression was found to be a useful technique for lateral-directional model design for hybrid-wing-body aircraft, as suggested by available flight data. Based on the results of this study, linear regression parameter estimation methods using abstracted effectors are expected to perform well for hybrid-wing-body aircraft properly equipped for the task.

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

Perras, Frederic A.; Wang, Lin-Lin; Manzano, J. Sebastian

The efficacy of dynamic nuclear polarization (DNP) surface-enhanced NMR spectroscopy (SENS) is reviewed for alumina, silica, and ordered mesoporous carbon (OMC) materials, with vastly different surface areas, as a function of the biradical concentration. Importantly, our studies show that the use of a “one-size-fits-all” biradical concentration should be avoided when performing DNP SENS experiments and instead an optimal concentration should be selected as appropriate for the type of material studied as well as its surface area. In general, materials with greater surface areas require higher radical concentrations for best possible DNP performance. This result is explained with the use ofmore » a thermodynamic model wherein radical-surface interactions are expected to lead to an increase in the local concentration of the polarizing agent at the surface. We also show, using plane-wave density functional theory calculations, that weak radical-surface interactions are the cause of the poor performance of DNP SENS for carbonaceous materials.« less

A unified model of Grignard reagent formation.

PubMed

Shao, Yunqi; Liu, Zhen; Huang, Pan; Liu, Boping

2018-04-25

Grignard reagents are among the most fundamental reagents in organic synthesis, yet studies have hitherto failed to fully explain the selectivity and kinetics of Grignard reagent formation (GRF). The present study provides new insights into the intermediates and pathways of GRF using density functional theory (DFT) calculations. Potential energy surfaces of RX dissociation along different directions reveal the origin of configuration retention of alkenyl and aromatic halides. Radical intermediates participate solely in the dissociation stage, and depend on the geometry of the reactant halide. Dissociation of organic halides yields stabilized surface anions, and the rest of the reaction is ionic in nature. MgX+/RMg+ were proposed as the key intermediates of Mg leaving from the surface in the self-activation of GRF, which explains the accelerated kinetics upon addition of RMgX or MgX2. The intermediacy of the cations was supported by a simple electrochemical experiment. To the best of our knowledge, this is the first unified ionic model (I-model) developed for resolving the controversial issues of GRF.

Response surface modeling of acid activation of raw diatomite using in sunflower oil bleaching by: Box-Behnken experimental design.

PubMed

Larouci, M; Safa, M; Meddah, B; Aoues, A; Sonnet, P

2015-03-01

The optimum conditions for acid activation of diatomite for maximizing bleaching efficiency of the diatomite in sun flower oil treatment were studied. Box-Behnken experimental design combining with response surface modeling (RSM) and quadratic programming (QP) was employed to obtain the optimum conditions of three independent variables (acid concentration, activation time and solid to liquid) for acid activation of diatomite. The significance of independent variables and their interactions were tested by means of the analysis of variance (ANOVA) with 95 % confidence limits (α = 0.05). The optimum values of the selected variables were obtained by solving the quadratic regression model, as well as by analyzing the response surface contour plots. The experimental conditions at this global point were determined to be acid concentration = 8.963 N, activation time = 11.9878 h, and solid to liquid ratio = 221.2113 g/l, the corresponding bleaching efficiency was found to be about 99 %.

Self-assembly of metal nanostructures on binary alloy surfaces

PubMed Central

Duguet, T.; Han, Yong; Yuen, Chad; Jing, Dapeng; Ünal, Barış; Evans, J. W.; Thiel, P. A.

2011-01-01

Deposition of metals on binary alloy surfaces offers new possibilities for guiding the formation of functional metal nanostructures. This idea is explored with scanning tunneling microscopy studies and atomistic-level analysis and modeling of nonequilibrium island formation. For Au/NiAl(110), complex monolayer structures are found and compared with the simple fcc(110) bilayer structure recently observed for Ag/NiAl(110). We also consider a more complex codeposition system, (Ni + Al)/NiAl(110), which offers the opportunity for fundamental studies of self-growth of alloys including deviations for equilibrium ordering. A general multisite lattice-gas model framework enables analysis of structure selection and morphological evolution in these systems. PMID:21097706

Selected Geochemical Data for Modeling Near-Surface Processes in Mineral Systems

USGS Publications Warehouse

Giles, Stuart A.; Granitto, Matthew; Eppinger, Robert G.

2009-01-01

The database herein was initiated, designed, and populated to collect and integrate geochemical, geologic, and mineral deposit data in an organized manner to facilitate geoenvironmental mineral deposit modeling. The Microsoft Access database contains data on a variety of mineral deposit types that have variable environmental effects when exposed at the ground surface by mining or natural processes. The data tables describe quantitative and qualitative geochemical analyses determined by 134 analytical laboratory and field methods for over 11,000 heavy-mineral concentrate, rock, sediment, soil, vegetation, and water samples. The database also provides geographic information on geology, climate, ecoregion, and site contamination levels for over 3,000 field sites in North America.

Removal of model viruses, E. coli and Cryptosporidium oocysts from surface water by zirconium and chitosan coagulants.

PubMed

Christensen, Ekaterina; Nilsen, Vegard; Håkonsen, Tor; Heistad, Arve; Gantzer, Christophe; Robertson, Lucy J; Myrmel, Mette

2017-10-01

The present work evaluates the effect of contact filtration, preceded by coagulation with zirconium (Zr) and chitosan coagulants, on model microorganisms and waterborne pathogens. River water intended for potable water production was spiked with MS2 and Salmonella Typhimurium 28B bacteriophages, Escherichia coli, and Cryptosporidium parvum oocysts prior to coagulation. The hygienic performance demonstrated by Zr comprised 3.0-4.0 log 10 removal of viruses and 5.0-6.0 log 10 removal of E. coli and C. parvum oocysts. Treatment with chitosan resulted in a removal of 2.5-3.0 log 10 of viruses and parasites, and 4.5-5.0 log 10 of bacteria. A reference coagulant, polyaluminium chloride (PACl), gave a 2.5-3.0 log 10 removal of viruses and 4.5 log 10 of E. coli. These results indicate that both Zr and chitosan enable adequate removal of microorganisms from surface water. The present study also attempts to assess removal rates of the selected microorganisms with regard to their size and surface properties. The isoelectric point of the Salmonella Typhimurium 28B bacteriophage is reported for the first time. The retention of the selected microorganisms in the filter bed appeared to have some correlation with their size, but the effect of the charge remained unclear.

A comparison RSM and ANN surface roughness models in thin-wall machining of Ti6Al4V using vegetable oils under MQL-condition

NASA Astrophysics Data System (ADS)

Mohruni, Amrifan Saladin; Yanis, Muhammad; Sharif, Safian; Yani, Irsyadi; Yuliwati, Erna; Ismail, Ahmad Fauzi; Shayfull, Zamree

2017-09-01

Thin-wall components as usually applied in the structural parts of aeronautical industry require significant challenges in machining. Unacceptable surface roughness can occur during machining of thin-wall. Titanium product such Ti6Al4V is mostly applied to get the appropriate surface texture in thin wall designed requirements. In this study, the comparison of the accuracy between Response Surface Methodology (RSM) and Artificial Neural Networks (ANN) in the prediction of surface roughness was conducted. Furthermore, the machining tests were carried out under Minimum Quantity Lubrication (MQL) using AlCrN-coated carbide tools. The use of Coconut oil as cutting fluids was also chosen in order to evaluate its performance when involved in end milling. This selection of cutting fluids is based on the better performance of oxidative stability than that of other vegetable based cutting fluids. The cutting speed, feed rate, radial and axial depth of cut were used as independent variables, while surface roughness is evaluated as the dependent variable or output. The results showed that the feed rate is the most significant factors in increasing the surface roughness value followed by the radial depth of cut and lastly the axial depth of cut. In contrary, the surface becomes smoother with increasing the cutting speed. From a comparison of both methods, the ANN model delivered a better accuracy than the RSM model.

Assessing uncertainty and sensitivity of model parameterizations and parameters in WRF affecting simulated surface fluxes and land-atmosphere coupling over the Amazon region

NASA Astrophysics Data System (ADS)

Qian, Y.; Wang, C.; Huang, M.; Berg, L. K.; Duan, Q.; Feng, Z.; Shrivastava, M. B.; Shin, H. H.; Hong, S. Y.

2016-12-01

This study aims to quantify the relative importance and uncertainties of different physical processes and parameters in affecting simulated surface fluxes and land-atmosphere coupling strength over the Amazon region. We used two-legged coupling metrics, which include both terrestrial (soil moisture to surface fluxes) and atmospheric (surface fluxes to atmospheric state or precipitation) legs, to diagnose the land-atmosphere interaction and coupling strength. Observations made using the Department of Energy's Atmospheric Radiation Measurement (ARM) Mobile Facility during the GoAmazon field campaign together with satellite and reanalysis data are used to evaluate model performance. To quantify the uncertainty in physical parameterizations, we performed a 120 member ensemble of simulations with the WRF model using a stratified experimental design including 6 cloud microphysics, 3 convection, 6 PBL and surface layer, and 3 land surface schemes. A multiple-way analysis of variance approach is used to quantitatively analyze the inter- and intra-group (scheme) means and variances. To quantify parameter sensitivity, we conducted an additional 256 WRF simulations in which an efficient sampling algorithm is used to explore the multiple-dimensional parameter space. Three uncertainty quantification approaches are applied for sensitivity analysis (SA) of multiple variables of interest to 20 selected parameters in YSU PBL and MM5 surface layer schemes. Results show consistent parameter sensitivity across different SA methods. We found that 5 out of 20 parameters contribute more than 90% total variance, and first-order effects dominate comparing to the interaction effects. Results of this uncertainty quantification study serve as guidance for better understanding the roles of different physical processes in land-atmosphere interactions, quantifying model uncertainties from various sources such as physical processes, parameters and structural errors, and providing insights for improving the model physics parameterizations.

Trapping gases in metal-organic frameworks with a selective surface molecular barrier layer

DOE PAGES

Tan, Kui; Zuluaga, Sebastian; Fuentes, Erika; ...

2016-12-13

The main challenge for gas storage and separation in nanoporous materials is that many molecules of interest adsorb too weakly to be effectively retained. Instead of synthetically modifying the internal surface structure of the entire bulk—as is typically done to enhance adsorption—here we show that post exposure of a prototypical porous metal-organic framework to ethylenediamine can effectively retain a variety of weakly adsorbing molecules (for example, CO, CO 2, SO 2, C 2H 4, NO) inside the materials by forming a monolayer-thick cap at the external surface of microcrystals. Furthermore, this capping mechanism, based on hydrogen bonding as explained bymore » ab initio modelling, opens the door for potential selectivity. For example, water molecules are shown to disrupt the hydrogen-bonded amine network and diffuse through the cap without hindrance and fully displace/release the retained small molecules out of the metal-organic framework at room temperature. Lastly, these findings may provide alternative strategies for gas storage, delivery and separation.« less

[Study on process and principle of lactose grinding modification to decrease hygroscopic of Rhodiolae Crenulatae Radix et Rhizoma extract].

PubMed

Zhang, Ding-Kun; Zhang, Fang; Lin, Jun-Zhi; Han, Li; Wu, Zhen-Feng; Yang, Ying-Guang; Yang, Ming

2014-04-01

In this paper, Rhodiolae Crenulatae Radix et Rhizoma extract,with high hygroscopic,was selected as research model, while lactose was selected as modifiers to study the effect of the grinding modification method on the hygroscopic. Subsequently, particle size distribution, scannin electron microscopy, infrared spectroscopy and surface properties were adopted for a phase analysis. The results showed that the modified extract, prepared by Rhodiolae Crenulatae Radix et Rhizoma extract grinding 5 min with the same amount of lactose UP2, which hygroscopic initial velocity, acceleration, and critical relative humidity moisture were less than that of Rhodiolae Crenulatae Radix et Rhizoma extract and the mixture dramatically. In addition, compared with the mixture, the size distribution of modified extract was much less, the microstructure was also difference, while the infrared spectroscopy and surface properties were similar with that of lactose. It is the main principle that lactose particle adhered to the surface of Rhodiolae Crenulatae Radix et Rhizoma extract after grinding mofication to decress the moisture obviously.

Effects of hierarchical structures and insulating liquid media on adhesion

NASA Astrophysics Data System (ADS)

Yang, Weixu; Wang, Xiaoli; Li, Hanqing; Song, Xintao

2017-11-01

Effects of hierarchical structures and insulating liquid media on adhesion are investigated through a numerical adhesive contact model established in this paper, in which hierarchical structures are considered by introducing the height distribution into the surface gap equation, and media are taken into account through the Hamaker constant in Lifshitz-Hamaker approach. Computational methods such as inexact Newton method, bi-conjugate stabilized (Bi-CGSTAB) method and fast Fourier transform (FFT) technique are employed to obtain the adhesive force. It is shown that hierarchical structured surface exhibits excellent anti-adhesive properties compared with flat, micro or nano structured surfaces. Adhesion force is more dependent on the sizes of nanostructures than those of microstructures, and the optimal ranges of nanostructure pitch and maximum height for small adhesion force are presented. Insulating liquid media effectively decrease the adhesive interaction and 1-bromonaphthalene exhibits the smallest adhesion force among the five selected media. In addition, effects of hierarchical structures with optimal sizes on reducing adhesion are more obvious than those of the selected insulating liquid media.

Cu (II) binded chitosan/Fe3O4 nanocomomposite as a new biosorbent for efficient and selective removal of phosphate.

PubMed

Zavareh, Siamak; Behrouzi, Zahra; Avanes, Armen

2017-08-01

The aim of this study was to develop a chitosan-based magnetic adsorbent for selective and effective removal of phosphate from aqueous solutions. For this purpose, Cu-chitosan/Fe 3 O 4 nanocomposite was prepared using a facile method and characterized. The prepared adsorbent exhibited more porous surface with higher specific area compared to neat chitosan based on SEM and BET studies. The FTIR and EDX studies indicated the presence of Cu(II) bonded to the adsorbent surface. Crystalline properties of the adsorbent were also studied using XRD. Experimental isotherm data were fitted to nonlinear forms of Langmuir and Freunlich models. The maximum capacity for the modified adsorbent was calculated to be 88mg P 2 O 5 /g, much higher than that for neat chitosan and chitosan/Fe 3 O 4 according to the Langmuir isotherm. The adsorption by the modified adsorbent had fast kinetics and obeyed pseudo-second-order kinetic model. Interestingly, the maximum removal efficiency for the modified adsorbent was observed in neutral pH values, pHs of natural waters. A high selectivity against natural waters common anions as well as good regeneration ability was obtained for the introduced adsorbent. Copyright © 2017 Elsevier B.V. All rights reserved.

Catalytic Hydrogenation and Hydrodeoxygenation of Furfural over Pt(111): A Model System for the Rational Design and Operation of Practical Biomass Conversion Catalysts.

PubMed

Taylor, Martin J; Jiang, Li; Reichert, Joachim; Papageorgiou, Anthoula C; Beaumont, Simon K; Wilson, Karen; Lee, Adam F; Barth, Johannes V; Kyriakou, Georgios

2017-04-20

Furfural is a key bioderived platform chemical whose reactivity under hydrogen atmospheres affords diverse chemical intermediates. Here, temperature-programmed reaction spectrometry and complementary scanning tunneling microscopy (STM) are employed to investigate furfural adsorption and reactivity over a Pt(111) model catalyst. Furfural decarbonylation to furan is highly sensitive to reaction conditions, in particular, surface crowding and associated changes in the adsorption geometry: furfural adopts a planar geometry on clean Pt(111) at low coverage, tilting at higher coverage to form a densely packed furfural adlayer. This switch in adsorption geometry strongly influences product selectivity. STM reveals the formation of hydrogen-bonded networks for planar furfural, which favor decarbonylation on clean Pt(111) and hydrogenolysis in the presence of coadsorbed hydrogen. Preadsorbed hydrogen promotes furfural hydrogenation to furfuryl alcohol and its subsequent hydrogenolysis to methyl furan, while suppressing residual surface carbon. Furfural chemistry over Pt is markedly different from that over Pd, with weaker adsorption over the former affording a simpler product distribution than the latter; Pd catalyzes a wider range of chemistry, including ring-opening to form propene. Insight into the role of molecular orientation in controlling product selectivity will guide the design and operation of more selective and stable Pt catalysts for furfural hydrogenation.

Catalytic Hydrogenation and Hydrodeoxygenation of Furfural over Pt(111): A Model System for the Rational Design and Operation of Practical Biomass Conversion Catalysts

PubMed Central

2017-01-01

Furfural is a key bioderived platform chemical whose reactivity under hydrogen atmospheres affords diverse chemical intermediates. Here, temperature-programmed reaction spectrometry and complementary scanning tunneling microscopy (STM) are employed to investigate furfural adsorption and reactivity over a Pt(111) model catalyst. Furfural decarbonylation to furan is highly sensitive to reaction conditions, in particular, surface crowding and associated changes in the adsorption geometry: furfural adopts a planar geometry on clean Pt(111) at low coverage, tilting at higher coverage to form a densely packed furfural adlayer. This switch in adsorption geometry strongly influences product selectivity. STM reveals the formation of hydrogen-bonded networks for planar furfural, which favor decarbonylation on clean Pt(111) and hydrogenolysis in the presence of coadsorbed hydrogen. Preadsorbed hydrogen promotes furfural hydrogenation to furfuryl alcohol and its subsequent hydrogenolysis to methyl furan, while suppressing residual surface carbon. Furfural chemistry over Pt is markedly different from that over Pd, with weaker adsorption over the former affording a simpler product distribution than the latter; Pd catalyzes a wider range of chemistry, including ring-opening to form propene. Insight into the role of molecular orientation in controlling product selectivity will guide the design and operation of more selective and stable Pt catalysts for furfural hydrogenation. PMID:29225721

Selection of optimum median-filter-based ambiguity removal algorithm parameters for NSCAT. [NASA scatterometer

NASA Technical Reports Server (NTRS)

Shaffer, Scott; Dunbar, R. Scott; Hsiao, S. Vincent; Long, David G.

1989-01-01

The NASA Scatterometer, NSCAT, is an active spaceborne radar designed to measure the normalized radar backscatter coefficient (sigma0) of the ocean surface. These measurements can, in turn, be used to infer the surface vector wind over the ocean using a geophysical model function. Several ambiguous wind vectors result because of the nature of the model function. A median-filter-based ambiguity removal algorithm will be used by the NSCAT ground data processor to select the best wind vector from the set of ambiguous wind vectors. This process is commonly known as dealiasing or ambiguity removal. The baseline NSCAT ambiguity removal algorithm and the method used to select the set of optimum parameter values are described. An extensive simulation of the NSCAT instrument and ground data processor provides a means of testing the resulting tuned algorithm. This simulation generates the ambiguous wind-field vectors expected from the instrument as it orbits over a set of realistic meoscale wind fields. The ambiguous wind field is then dealiased using the median-based ambiguity removal algorithm. Performance is measured by comparison of the unambiguous wind fields with the true wind fields. Results have shown that the median-filter-based ambiguity removal algorithm satisfies NSCAT mission requirements.

Catalyst design for enhanced sustainability through fundamental surface chemistry.

PubMed

Personick, Michelle L; Montemore, Matthew M; Kaxiras, Efthimios; Madix, Robert J; Biener, Juergen; Friend, Cynthia M

2016-02-28

Decreasing energy consumption in the production of platform chemicals is necessary to improve the sustainability of the chemical industry, which is the largest consumer of delivered energy. The majority of industrial chemical transformations rely on catalysts, and therefore designing new materials that catalyse the production of important chemicals via more selective and energy-efficient processes is a promising pathway to reducing energy use by the chemical industry. Efficiently designing new catalysts benefits from an integrated approach involving fundamental experimental studies and theoretical modelling in addition to evaluation of materials under working catalytic conditions. In this review, we outline this approach in the context of a particular catalyst-nanoporous gold (npAu)-which is an unsupported, dilute AgAu alloy catalyst that is highly active for the selective oxidative transformation of alcohols. Fundamental surface science studies on Au single crystals and AgAu thin-film alloys in combination with theoretical modelling were used to identify the principles which define the reactivity of npAu and subsequently enabled prediction of new reactive pathways on this material. Specifically, weak van der Waals interactions are key to the selectivity of Au materials, including npAu. We also briefly describe other systems in which this integrated approach was applied. © 2016 The Author(s).

Catalyst design for enhanced sustainability through fundamental surface chemistry

DOE PAGES

Personick, Michelle L.; Montemore, Matthew M.; Kaxiras, Efthimios; ...

2016-01-11

Decreasing energy consumption in the production of platform chemicals is necessary to improve the sustainability of the chemical industry, which is the largest consumer of delivered energy. The majority of industrial chemical transformations rely on catalysts, and therefore designing new materials that catalyse the production of important chemicals via more selective and energy-efficient processes is a promising pathway to reducing energy use by the chemical industry. Efficiently designing new catalysts benefits from an integrated approach involving fundamental experimental studies and theoretical modelling in addition to evaluation of materials under working catalytic conditions. In this paper, we outline this approach inmore » the context of a particular catalyst—nanoporous gold (npAu)—which is an unsupported, dilute AgAu alloy catalyst that is highly active for the selective oxidative transformation of alcohols. Fundamental surface science studies on Au single crystals and AgAu thin-film alloys in combination with theoretical modelling were used to identify the principles which define the reactivity of npAu and subsequently enabled prediction of new reactive pathways on this material. Specifically, weak van der Waals interactions are key to the selectivity of Au materials, including npAu. Finally, we also briefly describe other systems in which this integrated approach was applied.« less

Mars Tumbleweed Simulation Using Singular Perturbation Theory

NASA Technical Reports Server (NTRS)

Raiszadeh, Behzad; Calhoun, Phillip

2005-01-01

The Mars Tumbleweed is a new surface rover concept that utilizes Martian winds as the primary source of mobility. Several designs have been proposed for the Mars Tumbleweed, all using aerodynamic drag to generate force for traveling about the surface. The Mars Tumbleweed, in its deployed configuration, must be large and lightweight to provide the ratio of drag force to rolling resistance necessary to initiate motion from the Martian surface. This paper discusses the dynamic simulation details of a candidate Tumbleweed design. The dynamic simulation model must properly evaluate and characterize the motion of the tumbleweed rover to support proper selection of system design parameters. Several factors, such as model flexibility, simulation run times, and model accuracy needed to be considered in modeling assumptions. The simulation was required to address the flexibility of the rover and its interaction with the ground, and properly evaluate its mobility. Proper assumptions needed to be made such that the simulated dynamic motion is accurate and realistic while not overly burdened by long simulation run times. This paper also shows results that provided reasonable correlation between the simulation and a drop/roll test of a tumbleweed prototype.

Surface enhanced Raman optical activity of molecules on orientationally averaged substrates: theory of electromagnetic effects.

PubMed

Janesko, Benjamin G; Scuseria, Gustavo E

2006-09-28

We present a model for electromagnetic enhancements in surface enhanced Raman optical activity (SEROA) spectroscopy. The model extends previous treatments of SEROA to substrates, such as metal nanoparticles in solution, that are orientationally averaged with respect to the laboratory frame. Our theoretical treatment combines analytical expressions for unenhanced Raman optical activity with molecular polarizability tensors that are dressed by the substrate's electromagnetic enhancements. We evaluate enhancements from model substrates to determine preliminary scaling laws and selection rules for SEROA. We find that dipolar substrates enhance Raman optical activity (ROA) scattering less than Raman scattering. Evanescent gradient contributions to orientationally averaged ROA scale to first or higher orders in the gradient of the incident plane-wave field. These evanescent gradient contributions may be large for substrates with quadrupolar responses to the plane-wave field gradient. Some substrates may also show a ROA contribution that depends only on the molecular electric dipole-electric dipole polarizability. These conclusions are illustrated via numerical calculations of surface enhanced Raman and ROA spectra from (R)-(-)-bromochlorofluoromethane on various model substrates.

Frequency-dependent selection at rough expanding fronts

NASA Astrophysics Data System (ADS)

Kuhr, Jan-Timm; Stark, Holger

2015-10-01

Microbial colonies are experimental model systems for studying the colonization of new territory by biological species through range expansion. We study a generalization of the two-species Eden model, which incorporates local frequency-dependent selection, in order to analyze how social interactions between two species influence surface roughness of growing microbial colonies. The model includes several classical scenarios from game theory. We then concentrate on an expanding public goods game, where either cooperators or defectors take over the front depending on the system parameters. We analyze in detail the critical behavior of the nonequilibrium phase transition between global cooperation and defection and thereby identify a new universality class of phase transitions dealing with absorbing states. At the transition, the number of boundaries separating sectors decays with a novel power law in time and their superdiffusive motion crosses over from Eden scaling to a nearly ballistic regime. In parallel, the width of the front initially obeys Eden roughening and, at later times, passes over to selective roughening.

Combining super-ensembles and statistical emulation to improve a regional climate and vegetation model

NASA Astrophysics Data System (ADS)

Hawkins, L. R.; Rupp, D. E.; Li, S.; Sarah, S.; McNeall, D. J.; Mote, P.; Betts, R. A.; Wallom, D.

2017-12-01

Changing regional patterns of surface temperature, precipitation, and humidity may cause ecosystem-scale changes in vegetation, altering the distribution of trees, shrubs, and grasses. A changing vegetation distribution, in turn, alters the albedo, latent heat flux, and carbon exchanged with the atmosphere with resulting feedbacks onto the regional climate. However, a wide range of earth-system processes that affect the carbon, energy, and hydrologic cycles occur at sub grid scales in climate models and must be parameterized. The appropriate parameter values in such parameterizations are often poorly constrained, leading to uncertainty in predictions of how the ecosystem will respond to changes in forcing. To better understand the sensitivity of regional climate to parameter selection and to improve regional climate and vegetation simulations, we used a large perturbed physics ensemble and a suite of statistical emulators. We dynamically downscaled a super-ensemble (multiple parameter sets and multiple initial conditions) of global climate simulations using a 25-km resolution regional climate model HadRM3p with the land-surface scheme MOSES2 and dynamic vegetation module TRIFFID. We simultaneously perturbed land surface parameters relating to the exchange of carbon, water, and energy between the land surface and atmosphere in a large super-ensemble of regional climate simulations over the western US. Statistical emulation was used as a computationally cost-effective tool to explore uncertainties in interactions. Regions of parameter space that did not satisfy observational constraints were eliminated and an ensemble of parameter sets that reduce regional biases and span a range of plausible interactions among earth system processes were selected. This study demonstrated that by combining super-ensemble simulations with statistical emulation, simulations of regional climate could be improved while simultaneously accounting for a range of plausible land-atmosphere feedback strengths.

Copper Tolerance and Biosorption of Saccharomyces cerevisiae during Alcoholic Fermentation

PubMed Central

Liu, Ling-ling; Jia, Bo; Zhao, Fang; Huang, Wei-dong; Zhan, Ji-cheng

2015-01-01

At high levels, copper in grape mash can inhibit yeast activity and cause stuck fermentations. Wine yeast has limited tolerance of copper and can reduce copper levels in wine during fermentation. This study aimed to understand copper tolerance of wine yeast and establish the mechanism by which yeast decreases copper in the must during fermentation. Three strains of Saccharomyces cerevisiae (lab selected strain BH8 and industrial strains AWRI R2 and Freddo) and a simple model fermentation system containing 0 to 1.50 mM Cu2+ were used. ICP-AES determined Cu ion concentration in the must decreasing differently by strains and initial copper levels during fermentation. Fermentation performance was heavily inhibited under copper stress, paralleled a decrease in viable cell numbers. Strain BH8 showed higher copper-tolerance than strain AWRI R2 and higher adsorption than Freddo. Yeast cell surface depression and intracellular structure deformation after copper treatment were observed by scanning electron microscopy and transmission electron microscopy; electronic differential system detected higher surface Cu and no intracellular Cu on 1.50 mM copper treated yeast cells. It is most probably that surface adsorption dominated the biosorption process of Cu2+ for strain BH8, with saturation being accomplished in 24 h. This study demonstrated that Saccharomyces cerevisiae strain BH8 has good tolerance and adsorption of Cu, and reduces Cu2+ concentrations during fermentation in simple model system mainly through surface adsorption. The results indicate that the strain selected from China’s stress-tolerant wine grape is copper tolerant and can reduce copper in must when fermenting in a copper rich simple model system, and provided information for studies on mechanisms of heavy metal stress. PMID:26030864

Ice911 Research: A Reversible Localized Geo-Engineering Technique to Mitigate Climate Change Effects: Field Testing, Instrumentation and Climate Modeling Results

NASA Astrophysics Data System (ADS)

Field, L. A.; Sholtz, A.; Chetty, S.; Manzara, A.; Johnson, D.; Christodoulou, E.; Decca, R.; Walter, P.; Katuri, K.; Bhattacharyya, S.; Ivanova, D.; Mlaker, V.; Perovich, D. K.

2017-12-01

This work uses ecologically benign surface treatment of silica-based materials in carefully selected, limited areas to reduce polar ice melt by reflecting energy from summertime polar sun to attempt to slow ice loss due to the Ice-Albedo Feedback Effect. Application of Ice911's materials can be accomplished within a season, at a comparatively low cost, and with far less secondary environmental impact than many other proposed geo-engineering solutions. Field testing, instrumentation, safety testing, data-handling and modeling results will be presented. The albedo modification has been tested over a number of melt seasons with an evolving array of instrumentation, at multiple sites and on progressively larger scales, most recently in a small artificial pond in Minnesota and in a lake in Barrow, Alaska's BEO (Barrow Experimental Observatory) area. The test data show that the glass bubbles can provide an effective material for increasing albedo, significantly reducing the melting rate of ice. Using NCAR's CESM package the environmental impact of the approach of surface albedo modification was studied. During two separate runs, region-wide Arctic albedo modification as well as more targeted localized treatments were modeled and compared. The parameters of a surface snow layer are used as a proxy to simulate Ice911's high-albedo materials, and the modification is started in January over selected ice/snow regions in the Arctic. Preliminary results show promising possibilities of enhancements in surface albedo, sea ice area and sea-ice concentration, as well as temperature reductions of .5 to 3 degree Kelvin in the Arctic, and global average temperature reductions of .5 to 1 degrees.

Utility of BRDF Models for Estimating Optimal View Angles in Classification of Remotely Sensed Images

NASA Technical Reports Server (NTRS)

Valdez, P. F.; Donohoe, G. W.

1997-01-01

Statistical classification of remotely sensed images attempts to discriminate between surface cover types on the basis of the spectral response recorded by a sensor. It is well known that surfaces reflect incident radiation as a function of wavelength producing a spectral signature specific to the material under investigation. Multispectral and hyperspectral sensors sample the spectral response over tens and even hundreds of wavelength bands to capture the variation of spectral response with wavelength. Classification algorithms then exploit these differences in spectral response to distinguish between materials of interest. Sensors of this type, however, collect detailed spectral information from one direction (usually nadir); consequently, do not consider the directional nature of reflectance potentially detectable at different sensor view angles. Improvements in sensor technology have resulted in remote sensing platforms capable of detecting reflected energy across wavelengths (spectral signatures) and from multiple view angles (angular signatures) in the fore and aft directions. Sensors of this type include: the moderate resolution imaging spectroradiometer (MODIS), the multiangle imaging spectroradiometer (MISR), and the airborne solid-state array spectroradiometer (ASAS). A goal of this paper, then, is to explore the utility of Bidirectional Reflectance Distribution Function (BRDF) models in the selection of optimal view angles for the classification of remotely sensed images by employing a strategy of searching for the maximum difference between surface BRDFs. After a brief discussion of directional reflect ante in Section 2, attention is directed to the Beard-Maxwell BRDF model and its use in predicting the bidirectional reflectance of a surface. The selection of optimal viewing angles is addressed in Section 3, followed by conclusions and future work in Section 4.

Evaluation of algorithms for point cloud surface reconstruction through the analysis of shape parameters

NASA Astrophysics Data System (ADS)

Cao, Lu; Verbeek, Fons J.

2012-03-01

In computer graphics and visualization, reconstruction of a 3D surface from a point cloud is an important research area. As the surface contains information that can be measured, i.e. expressed in features, the application of surface reconstruction can be potentially important for application in bio-imaging. Opportunities in this application area are the motivation for this study. In the past decade, a number of algorithms for surface reconstruction have been proposed. Generally speaking, these methods can be separated into two categories: i.e., explicit representation and implicit approximation. Most of the aforementioned methods are firmly based in theory; however, so far, no analytical evaluation between these methods has been presented. The straightforward way of evaluation has been by convincing through visual inspection. Through evaluation we search for a method that can precisely preserve the surface characteristics and that is robust in the presence of noise. The outcome will be used to improve reliability in surface reconstruction of biological models. We, therefore, use an analytical approach by selecting features as surface descriptors and measure these features in varying conditions. We selected surface distance, surface area and surface curvature as three major features to compare quality of the surface created by the different algorithms. Our starting point has been ground truth values obtained from analytical shapes such as the sphere and the ellipsoid. In this paper we present four classical surface reconstruction methods from the two categories mentioned above, i.e. the Power Crust, the Robust Cocone, the Fourier-based method and the Poisson reconstruction method. The results obtained from our experiments indicate that Poisson reconstruction method performs the best in the presence of noise.

Discriminatory bio-adhesion over nano-patterned polymer brushes

NASA Astrophysics Data System (ADS)

Gon, Saugata

Surfaces functionalized with bio-molecular targeting agents are conventionally used for highly-specific protein and cell adhesion. This thesis explores an alternative approach: Small non-biological adhesive elements are placed on a surface randomly, with the rest of the surface rendered repulsive towards biomolecules and cells. While the adhesive elements themselves, for instance in solution, typically exhibit no selectivity for various compounds within an analyte suspension, selective adhesion of targeted objects or molecules results from their placement on the repulsive surface. The mechanism of selectivity relies on recognition of length scales of the surface distribution of adhesive elements relative to species in the analyte solution, along with the competition between attractions and repulsions between various species in the suspension and different parts of the collecting surface. The resulting binding selectivity can be exquisitely sharp; however, complex mixtures generally require the use of multiple surfaces to isolate the various species: Different components will be adhered, sharply, with changes in collector composition. The key feature of these surface designs is their lack of reliance on biomolecular fragments for specificity, focusing entirely on physicochemical principles at the lengthscales from 1 - 100 nm. This, along with a lack of formal patterning, provides the advantages of simplicity and cost effectiveness. This PhD thesis demonstrates these principles using a system in which cationic poly-L-lysine (PLL) patches (10 nm) are deposited randomly on a silica substrate and the remaining surface is passivated with a bio-compatible PEG brush. TIRF microscopy revealed that the patches were randomly arranged, not clustered. By precisely controlling the number of patches per unit area, the interfaces provide sharp selectivity for adhesion of proteins and bacterial cells. For instance, it was found that a critical density of patches (on the order of 1000/mum 2) was required for fibrinogen adsorption while a greater density comprised the adhesion threshold for albumin. Surface compositions between these two thresholds discriminated binding of the two proteins. The binding behavior of the two proteins from a mixture was well anticipated by the single- protein binding behaviors of the individual proteins. The mechanism for protein capture was shown to be multivalent: protein adhesion always occurred for averages spacings of the adhesive patches smaller than the dimensions of the protein of interest. For some backfill brush architectures, the spacing between the patches at the threshold for protein capture clearly corresponded to the major dimension of the target protein. For more dense PEG brush backfills however, larger adhesion thresholds were observed, corresponding to greater numbers of patches involved with the adhesion of each protein molecule. . The thesis demonstrates the tuning of the position of the adhesion thresholds, using fibrinogen as a model protein, using variations in brush properties and ionic strength. The directions of the trends indicate that the brushes do indeed exert steric repulsions toward the proteins while the attractions are electrostatic in nature. The surfaces also demonstrated sharp adhesion thresholds for S. Aureus bacteria, at smaller concentrations of adhesive surfaces elements than those needed for the protein capture. The results suggest that bacteria may be captured while proteins are rejected from these surfaces, and there may be potential to discriminate different bacterial types. Such discrimination from protein-containing bacterial suspensions was investigated briefly in this thesis using S. Aureus and fibrinogen as a model mixture. However, due to binding of fibrinogen to the bacterial surface, the separation did not succeed. It is still expected, however, that these surfaces could be used to selectively capture bacteria in the presence of non-interacting proteins. The interaction of these brushes with two different cationic species PLL and lysozyme were studied. The thesis documents rapid and complete brush displacement by PLL, highlighting a major limitation of using such brushes in some applications. Also unanticipated, lysozyme, a small cationic protein, was found to adhere to the brushes in increasing amounts with the PEG content of the brush. This finding contradicts current understanding of protein-brush interactions that suggests increases in interfacial PEG content increase biocompatibility.

Formation of plasmon pulses in the cooperative decay of excitons of quantum dots near a metal surface

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

Shesterikov, A. B.; Gubin, M. Yu.; Gladush, M. G.

The formation of pulses of surface electromagnetic waves at a metal–dielectric boundary is considered in the process of cooperative decay of excitons of quantum dots distributed near a metal surface in a dielectric layer. It is shown that the efficiency of exciton energy transfer to excited plasmons can, in principle, be increased by selecting the dielectric material with specified values of the complex permittivity. It is found that in the mean field approximation, the semiclassical model of formation of plasmon pulses in the system under study is reduced to the pendulum equation with the additional term of nonlinear losses.

Numerical Simulation of the Effects of Water Surface in Building Environment

NASA Astrophysics Data System (ADS)

Li, Guangyao; Pan, Yuqing; Yang, Li

2018-03-01

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

Gliding locomotion of manta rays, killer whales and swordfish near the water surface.

PubMed

Zhan, Jie-Min; Gong, Ye-Jun; Li, Tian-Zeng

2017-03-24

The hydrodynamic performance of the locomotive near the water surface is impacted by its geometrical shape. For marine animals, their geometrical shape is naturally selective; thus, investigating gliding locomotion of marine animal under the water surface may be able to elucidate the influence of the geometrical shape. We investigate three marine animals with specific geometries: the killer whale is fusiform shaped; the manta ray is flat and broad-winged; and the swordfish is best streamlined. The numerical results are validated by the measured drag coefficients of the manta ray model in a towing tank. The friction drag of the three target models are very similar; the body shape affected form drag coefficient is order as swordfish < killer whale < manta ray; the induced wave breaking upon the body of the manta ray performs different to killer whale and swordfish. These bio-inspired observations provide a new and in-depth understanding of the shape effects on the hydrodynamic performances near the free surface.

Modeling packed bed sorbent systems with the Pore Surface Diffusion Model: Evidence of facilitated surface diffusion of arsenate in nano-metal (hydr)oxide hybrid ion exchange media.

PubMed

Dale, Sachie; Markovski, Jasmina; Hristovski, Kiril D

2016-09-01

This study explores the possibility of employing the Pore Surface Diffusion Model (PSDM) to predict the arsenic breakthrough curve of a packed bed system operated under continuous flow conditions with realistic groundwater, and consequently minimize the need to conduct pilot scale tests. To provide the nano-metal (hydr)oxide hybrid ion exchange media's performance in realistic water matrices without engaging in taxing pilot scale testing, the multi-point equilibrium batch sorption tests under pseudo-equilibrium conditions were performed; arsenate breakthrough curve of short bed column (SBC) was predicted by the PSDM in the continuous flow experiments; SBC tests were conducted under the same conditions to validate the model. The overlapping Freundlich isotherms suggested that the water matrix and competing ions did not have any denoting effect on sorption capacity of the media when the matrix was changed from arsenic-only model water to real groundwater. As expected, the PSDM provided a relatively good prediction of the breakthrough profile for arsenic-only model water limited by intraparticle mass transports. In contrast, the groundwater breakthrough curve demonstrated significantly faster intraparticle mass transport suggesting to a surface diffusion process, which occurs in parallel to the pore diffusion. A simple selection of DS=1/2 DP appears to be sufficient when describing the facilitated surface diffusion of arsenate inside metal (hydr)oxide nano-enabled hybrid ion-exchange media in presence of sulfate, however, quantification of the factors determining the surface diffusion coefficient's magnitude under different treatment scenarios remained unexplored. Copyright © 2015 Elsevier B.V. All rights reserved.

Flip-avoiding interpolating surface registration for skull reconstruction.

PubMed

Xie, Shudong; Leow, Wee Kheng; Lee, Hanjing; Lim, Thiam Chye

2018-03-30

Skull reconstruction is an important and challenging task in craniofacial surgery planning, forensic investigation and anthropological studies. Existing methods typically reconstruct approximating surfaces that regard corresponding points on the target skull as soft constraints, thus incurring non-zero error even for non-defective parts and high overall reconstruction error. This paper proposes a novel geometric reconstruction method that non-rigidly registers an interpolating reference surface that regards corresponding target points as hard constraints, thus achieving low reconstruction error. To overcome the shortcoming of interpolating a surface, a flip-avoiding method is used to detect and exclude conflicting hard constraints that would otherwise cause surface patches to flip and self-intersect. Comprehensive test results show that our method is more accurate and robust than existing skull reconstruction methods. By incorporating symmetry constraints, it can produce more symmetric and normal results than other methods in reconstructing defective skulls with a large number of defects. It is robust against severe outliers such as radiation artifacts in computed tomography due to dental implants. In addition, test results also show that our method outperforms thin-plate spline for model resampling, which enables the active shape model to yield more accurate reconstruction results. As the reconstruction accuracy of defective parts varies with the use of different reference models, we also study the implication of reference model selection for skull reconstruction. Copyright © 2018 John Wiley & Sons, Ltd.

Machinability assessment of commercially pure titanium (CP-Ti) during turning operation: Application potential of GRA method

NASA Astrophysics Data System (ADS)

Khan, Akhtar; Maity, Kalipada

2018-03-01

This paper explores some of the vital machinability characteristics of commercially pure titanium (CP-Ti) grade 2. Experiments were conducted based on Taguchi’s L9 orthogonal array. The selected material was machined on a heavy duty lathe (Model: HMT NH26) using uncoated carbide inserts in dry cutting environment. The selected inserts were designated by ISO as SNMG 120408 (Model: K313) and manufactured by Kennametal. These inserts were rigidly mounted on a right handed tool holder PSBNR 2020K12. Cutting speed, feed rate and depth of cut were selected as three input variables whereas tool wear (VBc) and surface roughness (Ra) were the major attentions. In order to confirm an appreciable machinability of the work part, an optimal parametric combination was attained with the help of grey relational analysis (GRA) approach. Finally, a mathematical model was developed to exhibit the accuracy and acceptability of the proposed methodology using multiple regression equations. The results indicated that, the suggested model is capable of predicting overall grey relational grade within acceptable range.

Hydraulic Analyses of Sni-A-Bar Creek and Selected Tributaries at Grain Valley, Jackson County, Missouri

USGS Publications Warehouse

Rydlund, Jr., Paul H.; Otero-Benitez, William; Heimann, David C.

2008-01-01

A study was done by the U.S. Geological Survey, in cooperation with the city of Grain Valley, Jackson County, Missouri, to simulate the hydraulic characteristics of Sni-A-Bar Creek and selected tributaries within the corporate limits. The 10-, 50-, 100-, and 500-year recurrence interval streamflows were simulated to determine potential backwater effects on the Sni-A-Bar Creek main stem and to delineate flood-plain boundaries on the tributaries. The water-surface profiles through the bridge structures within the model area indicated that backwater effects from the constrictions were not substantial. The water-surface profile of Sni-A-Bar Creek generated from the one- and two-dimensional models indicated that the Gateway Western Railroad structure provided the greatest amount of contraction of flow within the modeled area. The results at the location of the upstream face of the railroad structure indicated a change in water-surface elevation from 0.2 to 0.8 foot (corresponding to simulated 10-year and 500-year flood occurrences). Results from all analyses indicated minimal backwater effects as a result of an overall minimal energy grade line slope and velocity head along Sni-A-Bar Creek. The flood plains for the 100-year recurrence interval floods on the Sni-A-Bar tributaries were mapped to show the extent of inundated areas. The updated flooding characteristics will allow city managers to contrast changes in flood risk and zoning as determined through the National Flood Insurance Program.

The origin of replicators and reproducers

PubMed Central

Szathmáry, Eörs

2006-01-01

Replicators are fundamental to the origin of life and evolvability. Their survival depends on the accuracy of replication and the efficiency of growth relative to spontaneous decay. Infrabiological systems are built of two coupled autocatalytic systems, in contrast to minimal living systems that must comprise at least a metabolic subsystem, a hereditary subsystem and a boundary, serving respective functions. Some scenarios prefer to unite all these functions into one primordial system, as illustrated in the lipid world scenario, which is considered as a didactic example in detail. Experimentally produced chemical replicators grow parabolically owing to product inhibition. A selection consequence is survival of everybody. The chromatographized replicator model predicts that such replicators spreading on surfaces can be selected for higher replication rate because double strands are washed away slower than single strands from the surface. Analysis of real ribozymes suggests that the error threshold of replication is less severe by about one order of magnitude than thought previously. Surface-bound dynamics is predicted to play a crucial role also for exponential replicators: unlinked genes belonging to the same genome do not displace each other by competition, and efficient and accurate replicases can spread. The most efficient form of such useful population structure is encapsulation by reproducing vesicles. The stochastic corrector model shows how such a bag of genes can survive, and what the role of chromosome formation and intragenic recombination could be. Prebiotic and early evolution cannot be understood without the models of dynamics. PMID:17008217

Friction Surface Treatment Selection: Aggregate Properties, Surface Characteristics, Alternative Treatments, and Safety Effects

DOT National Transportation Integrated Search

2017-07-01

This study aimed to evaluate the long term performance of the selected surface friction treatments, including high friction surface treatment (HFST) using calcined bauxite and steel slag, and conventional friction surfacing, in particular pavement pr...

Structural health monitoring and remote sensing of transportation infrastructure using embedded frequency selective surfaces.

DOT National Transportation Integrated Search

2014-07-01

The objective of this project was to investigate the use of Frequency Selective Surfaces (FSS) for structural health monitoring applications. Frequency Selective Surfaces (FSS) have long been used in the RF/microwave community to control scattering f...

Secular changes in Earth's shape and surface mass loading derived from combinations of reprocessed global GPS networks

NASA Astrophysics Data System (ADS)

Booker, David; Clarke, Peter J.; Lavallée, David A.

2014-09-01

The changing distribution of surface mass (oceans, atmospheric pressure, continental water storage, groundwater, lakes, snow and ice) causes detectable changes in the shape of the solid Earth, on time scales ranging from hours to millennia. Transient changes in the Earth's shape can, regardless of cause, be readily separated from steady secular variation in surface mass loading, but other secular changes due to plate tectonics and glacial isostatic adjustment (GIA) cannot. We estimate secular station velocities from almost 11 years of high quality combined GPS position solutions (GPS weeks 1,000-1,570) submitted as part of the first international global navigation satellite system service reprocessing campaign. Individual station velocities are estimated as a linear fit, paying careful attention to outliers and offsets. We remove a suite of a priori GIA models, each with an associated set of plate tectonic Euler vectors estimated by us; the latter are shown to be insensitive to the a priori GIA model. From the coordinate time series residuals after removing the GIA models and corresponding plate tectonic velocities, we use mass-conserving continental basis functions to estimate surface mass loading including the secular term. The different GIA models lead to significant differences in the estimates of loading in selected regions. Although our loading estimates are broadly comparable with independent estimates from other satellite missions, their range highlights the need for better, more robust GIA models that incorporate 3D Earth structure and accurately represent 3D surface displacements.

Using Diurnal Temperature Signals to Infer Vertical Groundwater-Surface Water Exchange.

PubMed

Irvine, Dylan J; Briggs, Martin A; Lautz, Laura K; Gordon, Ryan P; McKenzie, Jeffrey M; Cartwright, Ian

2017-01-01

Heat is a powerful tracer to quantify fluid exchange between surface water and groundwater. Temperature time series can be used to estimate pore water fluid flux, and techniques can be employed to extend these estimates to produce detailed plan-view flux maps. Key advantages of heat tracing include cost-effective sensors and ease of data collection and interpretation, without the need for expensive and time-consuming laboratory analyses or induced tracers. While the collection of temperature data in saturated sediments is relatively straightforward, several factors influence the reliability of flux estimates that are based on time series analysis (diurnal signals) of recorded temperatures. Sensor resolution and deployment are particularly important in obtaining robust flux estimates in upwelling conditions. Also, processing temperature time series data involves a sequence of complex steps, including filtering temperature signals, selection of appropriate thermal parameters, and selection of the optimal analytical solution for modeling. This review provides a synthesis of heat tracing using diurnal temperature oscillations, including details on optimal sensor selection and deployment, data processing, model parameterization, and an overview of computing tools available. Recent advances in diurnal temperature methods also provide the opportunity to determine local saturated thermal diffusivity, which can improve the accuracy of fluid flux modeling and sensor spacing, which is related to streambed scour and deposition. These parameters can also be used to determine the reliability of flux estimates from the use of heat as a tracer. © 2016, National Ground Water Association.

Selective scanning tunnelling microscope electron-induced reactions of single biphenyl molecules on a Si(100) surface.

PubMed

Riedel, Damien; Bocquet, Marie-Laure; Lesnard, Hervé; Lastapis, Mathieu; Lorente, Nicolas; Sonnet, Philippe; Dujardin, Gérald

2009-06-03

Selective electron-induced reactions of individual biphenyl molecules adsorbed in their weakly chemisorbed configuration on a Si(100) surface are investigated by using the tip of a low-temperature (5 K) scanning tunnelling microscope (STM) as an atomic size source of electrons. Selected types of molecular reactions are produced, depending on the polarity of the surface voltage during STM excitation. At negative surface voltages, the biphenyl molecule diffuses across the surface in its weakly chemisorbed configuration. At positive surface voltages, different types of molecular reactions are activated, which involve the change of adsorption configuration from the weakly chemisorbed to the strongly chemisorbed bistable and quadristable configurations. Calculated reaction pathways of the molecular reactions on the silicon surface, using the nudge elastic band method, provide evidence that the observed selectivity as a function of the surface voltage polarity cannot be ascribed to different activation energies. These results, together with the measured threshold surface voltages and the calculated molecular electronic structures via density functional theory, suggest that the electron-induced molecular reactions are driven by selective electron detachment (oxidation) or attachment (reduction) processes.

Generating a Simulated Fluid Flow over a Surface Using Anisotropic Diffusion

NASA Technical Reports Server (NTRS)

Rodriguez, David L. (Inventor); Sturdza, Peter (Inventor)

2016-01-01

A fluid-flow simulation over a computer-generated surface is generated using a diffusion technique. The surface is comprised of a surface mesh of polygons. A boundary-layer fluid property is obtained for a subset of the polygons of the surface mesh. A gradient vector is determined for a selected polygon, the selected polygon belonging to the surface mesh but not one of the subset of polygons. A maximum and minimum diffusion rate is determined along directions determined using the gradient vector corresponding to the selected polygon. A diffusion-path vector is defined between a point in the selected polygon and a neighboring point in a neighboring polygon. An updated fluid property is determined for the selected polygon using a variable diffusion rate, the variable diffusion rate based on the minimum diffusion rate, maximum diffusion rate, and the gradient vector.

Selective binding and transcytosis of Ulex europaeus 1 lectin by mouse Peyer's patch M-cells in vivo.

PubMed

Clark, M A; Jepson, M A; Simmons, N L; Hirst, B H

1995-12-01

The in vivo interaction of the lectin Ulex europaeus agglutinin 1 with mouse Peyer's patch follicle-associated epithelial cells was studied in the mouse Peyer's patch gut loop model by immunofluorescence and electron microscopy. The lectin targets to mouse Peyer's patch M-cells and is rapidly endocytosed and transcytosed. These processes are accompanied by morphological changes in the M-cell microvilli and by redistribution of polymerised actin. The demonstration of selective binding and uptake of a lectin by intestinal M-cells in vivo suggests that M-cell-specific surface glycoconjugates might act as receptors for the selective adhesion/uptake of microorganisms.

Resolving the structure of Ti 3C 2T x MXenes through multilevel structural modeling of the atomic pair distribution function

DOE PAGES

Wesolowski, David J.; Wang, Hsiu -Wen; Page, Katharine L.; ...

2015-12-08

MXenes are a recently discovered family of two-dimensional (2D) early transition metal carbides and carbonitrides, which have already shown many attractive properties and great promise in energy storage and many other applications. But, a complex surface chemistry and small coherence length have been obstacles in some applications of MXenes, also limiting the accuracy of predictions of their properties. In this study, we describe and benchmark a novel way of modeling layered materials with real interfaces (diverse surface functional groups and stacking order between the adjacent monolayers) against experimental data. The structures of three kinds of Ti 3C 2T x MXenesmore » (T stands for surface terminating species, including O, OH, and F) produced under different synthesis conditions were resolved for the first time using atomic pair distribution function obtained by high-quality neutron total scattering. We present the true nature of the material can be easily captured with the sensitivity of neutron scattering to the surface species of interest and the detailed “third-generation” structure model. The modeling approach leads to new understanding of MXene structural properties and can replace the currently used idealized models in predictions of a variety of physical, chemical, and functional properties of Ti 3C 2-based MXenes. Moreover, the developed models can be employed to guide the design of new MXene materials with selected surface termination and controlled contact angle, catalytic, optical, electrochemical, and other properties. Finally, we suggest that the multilevel structural modeling should form the basis for a generalized methodology on modeling diffraction and pair distribution function data for 2D and layered materials.« less

Satellite Estimates of Surface Short-wave Fluxes: Issues of Implementation

NASA Technical Reports Server (NTRS)

Wang, H.; Pinker, Rachel; Minnis, Patrick

2006-01-01

Surface solar radiation reaching the Earth's surface is the primary forcing function of the land surface energy and water cycle. Therefore, there is a need for information on this parameter, preferably, at global scale. Satellite based estimates are now available at accuracies that meet the demands of many scientific objectives. Selection of an approach to estimate such fluxes requires consideration of trade-offs between the use of multi-spectral observations of cloud optical properties that are more difficult to implement at large scales, and methods that are simplified but easier to implement. In this study, an evaluation of such trade-offs will be performed. The University of Maryland Surface Radiation Model (UMD/SRB) has been used to reprocess five years of GOES-8 satellite observations over the United States to ensure updated calibration and improved cloud detection over snow. The UMD/SRB model was subsequently modified to allow input of information on aerosol and cloud optical depth with information from independent satellite sources. Specifically, the cloud properties from the Atmospheric Radiation Measurement (ARM) Satellite Data Analysis Program (Minnis et al., 1995) are used to drive the modified version of the model to estimate surface short-wave fluxes over the Southern Great Plain ARM sites for a twelve month period. The auxiliary data needed as model inputs such as aerosol optical depth, spectral surface albedo, water vapor and total column ozone amount were kept the same for both versions of the model. The estimated shortwave fluxes are evaluated against ground observations at the ARM Central Facility and four satellite ARM sites. During summer, the estimated fluxes based on cloud properties derived from the multi-spectral approach were in better agreement with ground measurements than those derived from the UMD/SRB model. However, in winter, the fluxes derived with the UMD/SRB model were in better agreement with ground observations than those estimated from cloud properties provided by the ARM Satellite Data Analysis Program. During the transition periods, the results were comparable.

Analytical characterization of selective benthic flux components in estuarine and coastal waters

USGS Publications Warehouse

King, Jeffrey N.

2011-01-01

Benthic flux is the rate of flow across the bed of a water body, per unit area of bed. It is forced by component mechanisms, which interact. For example, pressure gradients across the bed, forced by tide, surface gravity waves, density gradients, bed–current interaction, turbulence, and terrestrial hydraulic gradients, drive an advective benthic flux of water and constituents between estuarine and coastal waters, and surficial aquifers. Other mechanisms also force benthic flux, such as chemical gradients, bioturbation, and dispersion. A suite of component mechanisms force a total benthic flux at any given location, where each member of the suite contributes a component benthic flux. Currently, the types and characteristics of component interactions are not fully understood. For example, components may interact linearly or nonlinearly, and the interaction may be constructive or destructive. Benthic flux is a surface water–groundwater interaction process. Its discharge component to a marine water body is referred to, in some literature, as submarine groundwater discharge. Benthic flux is important in characterizing water and constituent budgets of estuarine and coastal systems. Analytical models to characterize selective benthic flux components are reviewed. Specifically, these mechanisms are for the component associated with the groundwater tidal prism, and forced by surface gravity wave setup, surface gravity waves on a plane bed, and the terrestrial hydraulic gradient. Analytical models are applied to the Indian River Lagoon, Florida; Great South Bay, New York; and the South Atlantic Bight in South Carolina and portions of North Carolina.

Computational problems in autoregressive moving average (ARMA) models

NASA Technical Reports Server (NTRS)

Agarwal, G. C.; Goodarzi, S. M.; Oneill, W. D.; Gottlieb, G. L.

1981-01-01

The choice of the sampling interval and the selection of the order of the model in time series analysis are considered. Band limited (up to 15 Hz) random torque perturbations are applied to the human ankle joint. The applied torque input, the angular rotation output, and the electromyographic activity using surface electrodes from the extensor and flexor muscles of the ankle joint are recorded. Autoregressive moving average models are developed. A parameter constraining technique is applied to develop more reliable models. The asymptotic behavior of the system must be taken into account during parameter optimization to develop predictive models.

Indirect photopatterning of functionalized organic monolayers via copper-catalyzed "click chemistry"

NASA Astrophysics Data System (ADS)

Williams, Mackenzie G.; Teplyakov, Andrew V.

2018-07-01

Solution-based lithographic surface modification of an organic monolayer on a solid substrate is attained based on selective area photo-reduction of copper (II) to copper (I) to catalyze the azide-alkyne dipolar cycloaddition "click" reaction. X-ray photoelectron spectroscopy is used to confirm patterning, and spectroscopic results are analyzed and supplemented with computational models to confirm the surface chemistry. It is determined that this surface modification approach requires irradiation of the solid substrate with all necessary components present in solution. This method requires only minutes of irradiation to result in spatial and temporal control of the covalent surface functionalization of a monolayer and offers the potential for wavelength tunability that may be desirable in many applications utilizing organic monolayers.

Surface Plasmon Coupling and Control Using Spherical Cap Structures

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

Gong, Yu; Joly, Alan G.; Zhang, Xin

2017-06-05

Propagating surface plasmons (PSPs) launched from a protruded silver spherical cap structure are investigated using photoemission electron microscopy (PEEM) and finite difference time domain (FDTD) calculations. Our combined experimental and theoretical findings reveal that PSP coupling efficiency is comparable to conventional etched-in plasmonic coupling structures. Additionally, plasmon propagation direction can be varied by a linear rotation of the driving laser polarization. A simple geometric model is proposed in which the plasmon direction selectivity is proportional to the projection of the linear laser polarization on the surface normal. An application for the spherical cap coupler as a gate device is proposed.more » Overall, our results indicate that protruded cap structures hold great promise as elements in emerging surface plasmon applications.« less

Aerodynamic heating and surface temperatures on vehicles for computer-aided design studies

NASA Technical Reports Server (NTRS)

Dejarnette, F. R.; Kania, L. A.; Chitty, A.

1983-01-01

A computer subprogram has been developed to calculate aerodynamic and radiative heating rates and to determine surface temperatures by integrating the heating rates along the trajectory of a vehicle. Convective heating rates are calculated by applying the axisymmetric analogue to inviscid surface streamlines and using relatively simple techniques to calculate laminar, transitional, or turbulent heating rates. Options are provided for the selection of gas model, transition criterion, turbulent heating method, Reynolds Analogy factor, and entropy-layer swallowing effects. Heating rates are compared to experimental data, and the time history of surface temperatures are given for a high-speed trajectory. The computer subprogram is developed for preliminary design and mission analysis where parametric studies are needed at all speeds.

Development of Elevation and Relief Databases for ICESat-2/ATLAS Receiver Algorithms

NASA Astrophysics Data System (ADS)

Leigh, H. W.; Magruder, L. A.; Carabajal, C. C.; Saba, J. L.; Urban, T. J.; Mcgarry, J.; Schutz, B. E.

2013-12-01

The Advanced Topographic Laser Altimeter System (ATLAS) is planned to launch onboard NASA's ICESat-2 spacecraft in 2016. ATLAS operates at a wavelength of 532 nm with a laser repeat rate of 10 kHz and 6 individual laser footprints. The satellite will be in a 500 km, 91-day repeat ground track orbit at an inclination of 92°. A set of onboard Receiver Algorithms has been developed to reduce the data volume and data rate to acceptable levels while still transmitting the relevant ranging data. The onboard algorithms limit the data volume by distinguishing between surface returns and background noise and selecting a small vertical region around the surface return to be included in telemetry. The algorithms make use of signal processing techniques, along with three databases, the Digital Elevation Model (DEM), the Digital Relief Map (DRM), and the Surface Reference Mask (SRM), to find the signal and determine the appropriate dynamic range of vertical data surrounding the surface for downlink. The DEM provides software-based range gating for ATLAS. This approach allows the algorithm to limit the surface signal search to the vertical region between minimum and maximum elevations provided by the DEM (plus some margin to account for uncertainties). The DEM is constructed in a nested, three-tiered grid to account for a hardware constraint limiting the maximum vertical range to 6 km. The DRM is used to select the vertical width of the telemetry band around the surface return. The DRM contains global values of relief calculated along 140 m and 700 m ground track segments consistent with a 92° orbit. The DRM must contain the maximum value of relief seen in any given area, but must be as close to truth as possible as the DRM directly affects data volume. The SRM, which has been developed independently from the DEM and DRM, is used to set parameters within the algorithm and select telemetry bands for downlink. Both the DEM and DRM are constructed from publicly available digital elevation models. No elevation models currently exist that provide global coverage at a sufficient resolution, so several regional models have been mosaicked together to produce global databases. In locations where multiple data sets are available, evaluations have been made to determine the optimal source for the databases, primarily based on resolution and accuracy. Separate procedures for calculating relief were developed for high latitude (>60N/S) regions in order to take advantage of polar stereographic projections. An additional method for generating the databases was developed for use over Antarctica, such that high resolution, regional elevation models can be easily incorporated as they become available in the future. The SRM is used to facilitate DEM and DRM production by defining those regions that are ocean and sea ice. Ocean and sea ice elevation values are defined by the geoid, while relief is set to a constant value. Results presented will include the details of data source selection, the methodologies used to create the databases, and the final versions of both the DEM and DRM databases. Companion presentations by McGarry, et al. and Carabajal, et al. describe the ATLAS onboard Receiver Algorithms and the database verification, respectively.

First-Principles Integrated Adsorption Modeling for Selective Capture of Uranium from Seawater by Polyamidoxime Sorbent Materials

DOE PAGES

Ladshaw, Austin P.; Ivanov, Alexander S.; Das, Sadananda; ...

2018-03-27

Nuclear power is a relatively carbon-free energy source that has the capacity to be utilized today in an effort to stem the tides of global warming. The growing demand for nuclear energy, however, could put significant strain on our uranium ore resources, and the mining activities utilized to extract that ore can leave behind long-term environmental damage. A potential solution to enhance the supply of uranium fuel is to recover uranium from seawater using amidoximated adsorbent fibers. This technology has been studied for decades but is currently plagued by the material’s relatively poor selectivity of uranium over its main competitormore » vanadium. In this work, we investigate the binding schemes between uranium, vanadium, and the amidoxime functional groups on the adsorbent surface. Using quantum chemical methods, binding strengths are approximated for a set of complexation reactions between uranium and vanadium with amidoxime functionalities. Those approximations are then coupled with a comprehensive aqueous adsorption model developed in this work to simulate the adsorption of uranium and vanadium under laboratory conditions. Experimental adsorption studies with uranium and vanadium over a wide pH range are performed, and the data collected are compared against simulation results to validate the model. It was found that coupling ab initio calculations with process level adsorption modeling provides accurate predictions of the adsorption capacity and selectivity of the sorbent materials. Furthermore, this work demonstrates that this multiscale modeling paradigm could be utilized to aid in the selection of superior ligands or ligand compositions for the selective capture of metal ions. Furthermore, this first-principles integrated modeling approach opens the door to the in silico design of next-generation adsorbents with potentially superior efficiency and selectivity for uranium over vanadium in seawater.« less

First-Principles Integrated Adsorption Modeling for Selective Capture of Uranium from Seawater by Polyamidoxime Sorbent Materials

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

Ladshaw, Austin P.; Ivanov, Alexander S.; Das, Sadananda

Nuclear power is a relatively carbon-free energy source that has the capacity to be utilized today in an effort to stem the tides of global warming. The growing demand for nuclear energy, however, could put significant strain on our uranium ore resources, and the mining activities utilized to extract that ore can leave behind long-term environmental damage. A potential solution to enhance the supply of uranium fuel is to recover uranium from seawater using amidoximated adsorbent fibers. This technology has been studied for decades but is currently plagued by the material’s relatively poor selectivity of uranium over its main competitormore » vanadium. In this work, we investigate the binding schemes between uranium, vanadium, and the amidoxime functional groups on the adsorbent surface. Using quantum chemical methods, binding strengths are approximated for a set of complexation reactions between uranium and vanadium with amidoxime functionalities. Those approximations are then coupled with a comprehensive aqueous adsorption model developed in this work to simulate the adsorption of uranium and vanadium under laboratory conditions. Experimental adsorption studies with uranium and vanadium over a wide pH range are performed, and the data collected are compared against simulation results to validate the model. It was found that coupling ab initio calculations with process level adsorption modeling provides accurate predictions of the adsorption capacity and selectivity of the sorbent materials. Furthermore, this work demonstrates that this multiscale modeling paradigm could be utilized to aid in the selection of superior ligands or ligand compositions for the selective capture of metal ions. Furthermore, this first-principles integrated modeling approach opens the door to the in silico design of next-generation adsorbents with potentially superior efficiency and selectivity for uranium over vanadium in seawater.« less

First-Principles Integrated Adsorption Modeling for Selective Capture of Uranium from Seawater by Polyamidoxime Sorbent Materials.

PubMed

Ladshaw, Austin P; Ivanov, Alexander S; Das, Sadananda; Bryantsev, Vyacheslav S; Tsouris, Costas; Yiacoumi, Sotira

2018-04-18

Nuclear power is a relatively carbon-free energy source that has the capacity to be utilized today in an effort to stem the tides of global warming. The growing demand for nuclear energy, however, could put significant strain on our uranium ore resources, and the mining activities utilized to extract that ore can leave behind long-term environmental damage. A potential solution to enhance the supply of uranium fuel is to recover uranium from seawater using amidoximated adsorbent fibers. This technology has been studied for decades but is currently plagued by the material's relatively poor selectivity of uranium over its main competitor vanadium. In this work, we investigate the binding schemes between uranium, vanadium, and the amidoxime functional groups on the adsorbent surface. Using quantum chemical methods, binding strengths are approximated for a set of complexation reactions between uranium and vanadium with amidoxime functionalities. Those approximations are then coupled with a comprehensive aqueous adsorption model developed in this work to simulate the adsorption of uranium and vanadium under laboratory conditions. Experimental adsorption studies with uranium and vanadium over a wide pH range are performed, and the data collected are compared against simulation results to validate the model. It was found that coupling ab initio calculations with process level adsorption modeling provides accurate predictions of the adsorption capacity and selectivity of the sorbent materials. Furthermore, this work demonstrates that this multiscale modeling paradigm could be utilized to aid in the selection of superior ligands or ligand compositions for the selective capture of metal ions. Therefore, this first-principles integrated modeling approach opens the door to the in silico design of next-generation adsorbents with potentially superior efficiency and selectivity for uranium over vanadium in seawater.

Optimization of Coolant Technique Conditions for Machining A319 Aluminium Alloy Using Response Surface Method (RSM)

NASA Astrophysics Data System (ADS)

Zainal Ariffin, S.; Razlan, A.; Ali, M. Mohd; Efendee, A. M.; Rahman, M. M.

2018-03-01

Background/Objectives: The paper discusses about the optimum cutting parameters with coolant techniques condition (1.0 mm nozzle orifice, wet and dry) to optimize surface roughness, temperature and tool wear in the machining process based on the selected setting parameters. The selected cutting parameters for this study were the cutting speed, feed rate, depth of cut and coolant techniques condition. Methods/Statistical Analysis Experiments were conducted and investigated based on Design of Experiment (DOE) with Response Surface Method. The research of the aggressive machining process on aluminum alloy (A319) for automotive applications is an effort to understand the machining concept, which widely used in a variety of manufacturing industries especially in the automotive industry. Findings: The results show that the dominant failure mode is the surface roughness, temperature and tool wear when using 1.0 mm nozzle orifice, increases during machining and also can be alternative minimize built up edge of the A319. The exploration for surface roughness, productivity and the optimization of cutting speed in the technical and commercial aspects of the manufacturing processes of A319 are discussed in automotive components industries for further work Applications/Improvements: The research result also beneficial in minimizing the costs incurred and improving productivity of manufacturing firms. According to the mathematical model and equations, generated by CCD based RSM, experiments were performed and cutting coolant condition technique using size nozzle can reduces tool wear, surface roughness and temperature was obtained. Results have been analyzed and optimization has been carried out for selecting cutting parameters, shows that the effectiveness and efficiency of the system can be identified and helps to solve potential problems.

A potential-energy scaling model to simulate the initial stages of thin-film growth

NASA Technical Reports Server (NTRS)

Heinbockel, J. H.; Outlaw, R. A.; Walker, G. H.

1983-01-01

A solid on solid (SOS) Monte Carlo computer simulation employing a potential energy scaling technique was used to model the initial stages of thin film growth. The model monitors variations in the vertical interaction potential that occur due to the arrival or departure of selected adatoms or impurities at all sites in the 400 sq. ft. array. Boltzmann ordered statistics are used to simulate fluctuations in vibrational energy at each site in the array, and the resulting site energy is compared with threshold levels of possible atomic events. In addition to adsorption, desorption, and surface migration, adatom incorporation and diffusion of a substrate atom to the surface are also included. The lateral interaction of nearest, second nearest, and third nearest neighbors is also considered. A series of computer experiments are conducted to illustrate the behavior of the model.

Prediction of near-surface soil moisture at large scale by digital terrain modeling and neural networks.

PubMed

Lavado Contador, J F; Maneta, M; Schnabel, S

2006-10-01

The capability of Artificial Neural Network models to forecast near-surface soil moisture at fine spatial scale resolution has been tested for a 99.5 ha watershed located in SW Spain using several easy to achieve digital models of topographic and land cover variables as inputs and a series of soil moisture measurements as training data set. The study methods were designed in order to determining the potentials of the neural network model as a tool to gain insight into soil moisture distribution factors and also in order to optimize the data sampling scheme finding the optimum size of the training data set. Results suggest the efficiency of the methods in forecasting soil moisture, as a tool to assess the optimum number of field samples, and the importance of the variables selected in explaining the final map obtained.

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.

Extracting Optical Fiber Background from Surface-Enhanced Raman Spectroscopy Spectra Based on Bi-Objective Optimization Modeling.

PubMed

Huang, Jie; Shi, Tielin; Tang, Zirong; Zhu, Wei; Liao, Guanglan; Li, Xiaoping; Gong, Bo; Zhou, Tengyuan

2017-08-01

We propose a bi-objective optimization model for extracting optical fiber background from the measured surface-enhanced Raman spectroscopy (SERS) spectrum of the target sample in the application of fiber optic SERS. The model is built using curve fitting to resolve the SERS spectrum into several individual bands, and simultaneously matching some resolved bands with the measured background spectrum. The Pearson correlation coefficient is selected as the similarity index and its maximum value is pursued during the spectral matching process. An algorithm is proposed, programmed, and demonstrated successfully in extracting optical fiber background or fluorescence background from the measured SERS spectra of rhodamine 6G (R6G) and crystal violet (CV). The proposed model not only can be applied to remove optical fiber background or fluorescence background for SERS spectra, but also can be transferred to conventional Raman spectra recorded using fiber optic instrumentation.

Cellulose-lanthanum hydroxide nanocomposite as a selective marker for detection of toxic copper

PubMed Central

2014-01-01

In this current report, a simple, reliable, and rapid method based on modifying the cellulose surface by doping it with different percentages of lanthanum hydroxide (i.e., 1% La(OH)3-cellulose (LC), 5% La(OH)3-cellulose (LC2), and 10% La(OH)3-cellulose (LC3)) was proposed as a selective marker for detection of copper (Cu(II)) in aqueous medium. Surface properties of the newly modified cellulose phases were confirmed by Fourier transform infrared spectroscopy, field emission scanning electron microscope, energy dispersive X-ray spectroscopy, X-ray diffraction, and X-ray photoelectron spectroscopic analysis. The effect of pH on the adsorption of modified cellulose phases for Cu(II) was evaluated, and LC3 was found to be the most selective for Cu(II) at pH 6.0. Other parameters, influencing the maximum uptake of Cu(II) on LC3, were also investigated for a deeper mechanistic understanding of the adsorption phenomena. Results showed that the adsorption capacity for Cu(II) was improved by 211% on the LC3 phase as compared to diethylaminoethyl cellulose phase after only 2 h contact time. Adsorption isotherm data established that the adsorption process nature was monolayer with a homogeneous adsorbent surface. Results displayed that the adsorption of Cu(II) onto the LC3 phase obeyed a pseudo-second-order kinetic model. Selectivity studies toward eight metal ions, i.e., Cd(II), Co(II), Cr(III), Cr(VI), Cu(II), Fe(III), Ni(II), and Zn(II), were further performed at the optimized pH value. Based on the selectivity study, it was found that Cu(II) is highly selective toward the LC3 phase. Moreover, the efficiency of the proposed method was supported by implementing it to real environmental water samples with adequate results. PMID:25258599

Research program on fractured petroleum reservoirs. Task II - new phase formation and flow in porous media. Quarterly progress report, April 1, 1996--June 30, 1996

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

Fang, F.; Firoozabadi, A.

We have developed a phenomenological model for critical condensate saturation. This model reveals that critical condensate saturation is a function of surface tension and contact angle hysteresis. On the other hand, residual oil saturation does not have such a dependency. Consequently, the selection of fluids in laboratory measurements for gas condensate systems should be made with care.

Accurate, low-cost 3D-models of gullies

NASA Astrophysics Data System (ADS)

Onnen, Nils; Gronz, Oliver; Ries, Johannes B.; Brings, Christine

2015-04-01

Soil erosion is a widespread problem in arid and semi-arid areas. The most severe form is the gully erosion. They often cut into agricultural farmland and can make a certain area completely unproductive. To understand the development and processes inside and around gullies, we calculated detailed 3D-models of gullies in the Souss Valley in South Morocco. Near Taroudant, we had four study areas with five gullies different in size, volume and activity. By using a Canon HF G30 Camcorder, we made varying series of Full HD videos with 25fps. Afterwards, we used the method Structure from Motion (SfM) to create the models. To generate accurate models maintaining feasible runtimes, it is necessary to select around 1500-1700 images from the video, while the overlap of neighboring images should be at least 80%. In addition, it is very important to avoid selecting photos that are blurry or out of focus. Nearby pixels of a blurry image tend to have similar color values. That is why we used a MATLAB script to compare the derivatives of the images. The higher the sum of the derivative, the sharper an image of similar objects. MATLAB subdivides the video into image intervals. From each interval, the image with the highest sum is selected. E.g.: 20min. video at 25fps equals 30.000 single images. The program now inspects the first 20 images, saves the sharpest and moves on to the next 20 images etc. Using this algorithm, we selected 1500 images for our modeling. With VisualSFM, we calculated features and the matches between all images and produced a point cloud. Then, MeshLab has been used to build a surface out of it using the Poisson surface reconstruction approach. Afterwards we are able to calculate the size and the volume of the gullies. It is also possible to determine soil erosion rates, if we compare the data with old recordings. The final step would be the combination of the terrestrial data with the data from our aerial photography. So far, the method works well and we are able to produce accurate and low-cost 3D-models of gullies.

A Blind Test of Hapke's Photometric Model

NASA Technical Reports Server (NTRS)

Helfenstein, P.; Shepard, M. K.

2003-01-01

Hapke's bidirectional reflectance equation is a versatile analytical tool for predicting (i.e. forward modeling) the photometric behavior of a particulate surface from the observed optical and structural properties of its constituents. Remote sensing applications of Hapke s model, however, generally seek to predict the optical and structural properties of particulate soil constituents from the observed photometric behavior of a planetary surface (i.e. inverse-modeling). Our confidence in the latter approach can be established only if we ruthlessly test and optimize it. Here, we summarize preliminary results from a blind-test of the Hapke model using laboratory measurements obtained with the Bloomsburg University Goniometer (B.U.G.). The first author selected eleven well-characterized powder samples and measured the spectrophotometric behavior of each. A subset of twenty undisclosed examples of the photometric measurement sets were sent to the second author who fit the data using the Hapke model and attempted to interpret their optical and mechanical properties from photometry alone.

kmos: A lattice kinetic Monte Carlo framework

NASA Astrophysics Data System (ADS)

Hoffmann, Max J.; Matera, Sebastian; Reuter, Karsten

2014-07-01

Kinetic Monte Carlo (kMC) simulations have emerged as a key tool for microkinetic modeling in heterogeneous catalysis and other materials applications. Systems, where site-specificity of all elementary reactions allows a mapping onto a lattice of discrete active sites, can be addressed within the particularly efficient lattice kMC approach. To this end we describe the versatile kmos software package, which offers a most user-friendly implementation, execution, and evaluation of lattice kMC models of arbitrary complexity in one- to three-dimensional lattice systems, involving multiple active sites in periodic or aperiodic arrangements, as well as site-resolved pairwise and higher-order lateral interactions. Conceptually, kmos achieves a maximum runtime performance which is essentially independent of lattice size by generating code for the efficiency-determining local update of available events that is optimized for a defined kMC model. For this model definition and the control of all runtime and evaluation aspects kmos offers a high-level application programming interface. Usage proceeds interactively, via scripts, or a graphical user interface, which visualizes the model geometry, the lattice occupations and rates of selected elementary reactions, while allowing on-the-fly changes of simulation parameters. We demonstrate the performance and scaling of kmos with the application to kMC models for surface catalytic processes, where for given operation conditions (temperature and partial pressures of all reactants) central simulation outcomes are catalytic activity and selectivities, surface composition, and mechanistic insight into the occurrence of individual elementary processes in the reaction network.

Automatic construction of patient-specific finite-element mesh of the spine from IVDs and vertebra segmentations

NASA Astrophysics Data System (ADS)

Castro-Mateos, Isaac; Pozo, Jose M.; Lazary, Aron; Frangi, Alejandro F.

2016-03-01

Computational medicine aims at developing patient-specific models to help physicians in the diagnosis and treatment selection for patients. The spine, and other skeletal structures, is an articulated object, composed of rigid bones (vertebrae) and non-rigid parts (intervertebral discs (IVD), ligaments and muscles). These components are usually extracted from different image modalities, involving patient repositioning. In the case of the spine, these models require the segmentation of IVDs from MR and vertebrae from CT. In the literature, there exists a vast selection of segmentations methods, but there is a lack of approaches to align the vertebrae and IVDs. This paper presents a method to create patient-specific finite element meshes for biomechanical simulations, integrating rigid and non-rigid parts of articulated objects. First, the different parts are aligned in a complete surface model. Vertebrae extracted from CT are rigidly repositioned in between the IVDs, initially using the IVDs location and then refining the alignment using the MR image with a rigid active shape model algorithm. Finally, a mesh morphing algorithm, based on B-splines, is employed to map a template finite-element (volumetric) mesh to the patient-specific surface mesh. This morphing reduces possible misalignments and guarantees the convexity of the model elements. Results show that the accuracy of the method to align vertebrae into MR, together with IVDs, is similar to that of the human observers. Thus, this method is a step forward towards the automation of patient-specific finite element models for biomechanical simulations.

Selecting boundary conditions in physiological strain analysis of the femur: Balanced loads, inertia relief method and follower load.

PubMed

Heyland, Mark; Trepczynski, Adam; Duda, Georg N; Zehn, Manfred; Schaser, Klaus-Dieter; Märdian, Sven

2015-12-01

Selection of boundary constraints may influence amount and distribution of loads. The purpose of this study is to analyze the potential of inertia relief and follower load to maintain the effects of musculoskeletal loads even under large deflections in patient specific finite element models of intact or fractured bone compared to empiric boundary constraints which have been shown to lead to physiological displacements and surface strains. The goal is to elucidate the use of boundary conditions in strain analyses of bones. Finite element models of the intact femur and a model of clinically relevant fracture stabilization by locking plate fixation were analyzed with normal walking loading conditions for different boundary conditions, specifically re-balanced loading, inertia relief and follower load. Peak principal cortex surface strains for different boundary conditions are consistent (maximum deviation 13.7%) except for inertia relief without force balancing (maximum deviation 108.4%). Influence of follower load on displacements increases with higher deflection in fracture model (from 3% to 7% for force balanced model). For load balanced models, follower load had only minor influence, though the effect increases strongly with higher deflection. Conventional constraints of fixed nodes in space should be carefully reconsidered because their type and position are challenging to justify and for their potential to introduce relevant non-physiological reaction forces. Inertia relief provides an alternative method which yields physiological strain results. Copyright © 2015 IPEM. Published by Elsevier Ltd. All rights reserved.

Improved representations of coupled soil–canopy processes in the CABLE land surface model (Subversion revision 3432)

DOE PAGES

Haverd, Vanessa; Cuntz, Matthias; Nieradzik, Lars P.; ...

2016-09-07

CABLE is a global land surface model, which has been used extensively in offline and coupled simulations. While CABLE performs well in comparison with other land surface models, results are impacted by decoupling of transpiration and photosynthesis fluxes under drying soil conditions, often leading to implausibly high water use efficiencies. Here, we present a solution to this problem, ensuring that modelled transpiration is always consistent with modelled photosynthesis, while introducing a parsimonious single-parameter drought response function which is coupled to root water uptake. We further improve CABLE's simulation of coupled soil–canopy processes by introducing an alternative hydrology model with amore » physically accurate representation of coupled energy and water fluxes at the soil–air interface, including a more realistic formulation of transfer under atmospherically stable conditions within the canopy and in the presence of leaf litter. The effects of these model developments are assessed using data from 18 stations from the global eddy covariance FLUXNET database, selected to span a large climatic range. Here, marked improvements are demonstrated, with root mean squared errors for monthly latent heat fluxes and water use efficiencies being reduced by 40 %. Results highlight the important roles of deep soil moisture in mediating drought response and litter in dampening soil evaporation.« less

Improved representations of coupled soil–canopy processes in the CABLE land surface model (Subversion revision 3432)

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

Haverd, Vanessa; Cuntz, Matthias; Nieradzik, Lars P.

CABLE is a global land surface model, which has been used extensively in offline and coupled simulations. While CABLE performs well in comparison with other land surface models, results are impacted by decoupling of transpiration and photosynthesis fluxes under drying soil conditions, often leading to implausibly high water use efficiencies. Here, we present a solution to this problem, ensuring that modelled transpiration is always consistent with modelled photosynthesis, while introducing a parsimonious single-parameter drought response function which is coupled to root water uptake. We further improve CABLE's simulation of coupled soil–canopy processes by introducing an alternative hydrology model with amore » physically accurate representation of coupled energy and water fluxes at the soil–air interface, including a more realistic formulation of transfer under atmospherically stable conditions within the canopy and in the presence of leaf litter. The effects of these model developments are assessed using data from 18 stations from the global eddy covariance FLUXNET database, selected to span a large climatic range. Here, marked improvements are demonstrated, with root mean squared errors for monthly latent heat fluxes and water use efficiencies being reduced by 40 %. Results highlight the important roles of deep soil moisture in mediating drought response and litter in dampening soil evaporation.« less

Improved representations of coupled soil-canopy processes in the CABLE land surface model (Subversion revision 3432)

NASA Astrophysics Data System (ADS)

Haverd, Vanessa; Cuntz, Matthias; Nieradzik, Lars P.; Harman, Ian N.

2016-09-01

CABLE is a global land surface model, which has been used extensively in offline and coupled simulations. While CABLE performs well in comparison with other land surface models, results are impacted by decoupling of transpiration and photosynthesis fluxes under drying soil conditions, often leading to implausibly high water use efficiencies. Here, we present a solution to this problem, ensuring that modelled transpiration is always consistent with modelled photosynthesis, while introducing a parsimonious single-parameter drought response function which is coupled to root water uptake. We further improve CABLE's simulation of coupled soil-canopy processes by introducing an alternative hydrology model with a physically accurate representation of coupled energy and water fluxes at the soil-air interface, including a more realistic formulation of transfer under atmospherically stable conditions within the canopy and in the presence of leaf litter. The effects of these model developments are assessed using data from 18 stations from the global eddy covariance FLUXNET database, selected to span a large climatic range. Marked improvements are demonstrated, with root mean squared errors for monthly latent heat fluxes and water use efficiencies being reduced by 40 %. Results highlight the important roles of deep soil moisture in mediating drought response and litter in dampening soil evaporation.

Two-Dimensional Flood-Inundation Model of the Flint River at Albany, Georgia

USGS Publications Warehouse

Musser, Jonathan W.; Dyar, Thomas R.

2007-01-01

Potential flow characteristics of future flooding along a 4.8-mile reach of the Flint River in Albany, Georgia, were simulated using recent digital-elevation-model data and the U.S. Geological Survey finite-element surface-water modeling system for two-dimensional flow in the horizontal plane (FESWMS-2DH). Simulated inundated areas, in 1-foot (ft) increments, were created for water-surface altitudes at the Flint River at Albany streamgage (02352500) from 192.5-ft altitude with a flow of 123,000 cubic feet per second (ft3/s) to 179.5-ft altitude with a flow of 52,500 ft3/s. The model was calibrated to match actual floods during July 1994 and March 2005 and Federal Emergency Management Administration floodplain maps. Continuity checks of selected stream profiles indicate the area near the Oakridge Drive bridge had lower velocities than other areas of the Flint River, which contributed to a rise in the flood-surface profile. The modeled inundated areas were mapped onto monochrome orthophoto imagery for use in planning for future floods. As part of a cooperative effort, the U.S. Geological Survey, the City of Albany, and Dougherty County, Georgia, conducted this study.

Improving groundwater predictions utilizing seasonal precipitation forecasts from general circulation models forced with sea surface temperature forecasts

USGS Publications Warehouse

Almanaseer, Naser; Sankarasubramanian, A.; Bales, Jerad

2014-01-01

Recent studies have found a significant association between climatic variability and basin hydroclimatology, particularly groundwater levels, over the southeast United States. The research reported in this paper evaluates the potential in developing 6-month-ahead groundwater-level forecasts based on the precipitation forecasts from ECHAM 4.5 General Circulation Model Forced with Sea Surface Temperature forecasts. Ten groundwater wells and nine streamgauges from the USGS Groundwater Climate Response Network and Hydro-Climatic Data Network were selected to represent groundwater and surface water flows, respectively, having minimal anthropogenic influences within the Flint River Basin in Georgia, United States. The writers employ two low-dimensional models [principle component regression (PCR) and canonical correlation analysis (CCA)] for predicting groundwater and streamflow at both seasonal and monthly timescales. Three modeling schemes are considered at the beginning of January to predict winter (January, February, and March) and spring (April, May, and June) streamflow and groundwater for the selected sites within the Flint River Basin. The first scheme (model 1) is a null model and is developed using PCR for every streamflow and groundwater site using previous 3-month observations (October, November, and December) available at that particular site as predictors. Modeling schemes 2 and 3 are developed using PCR and CCA, respectively, to evaluate the role of precipitation forecasts in improving monthly and seasonal groundwater predictions. Modeling scheme 3, which employs a CCA approach, is developed for each site by considering observed groundwater levels from nearby sites as predictands. The performance of these three schemes is evaluated using two metrics (correlation coefficient and relative RMS error) by developing groundwater-level forecasts based on leave-five-out cross-validation. Results from the research reported in this paper show that using precipitation forecasts in climate models improves the ability to predict the interannual variability of winter and spring streamflow and groundwater levels over the basin. However, significant conditional bias exists in all the three modeling schemes, which indicates the need to consider improved modeling schemes as well as the availability of longer time-series of observed hydroclimatic information over the basin.

Can Regional Climate Models be used in the assessment of vulnerability and risk caused by extreme events?

NASA Astrophysics Data System (ADS)

Nunes, Ana

2015-04-01

Extreme meteorological events played an important role in catastrophic occurrences observed in the past over densely populated areas in Brazil. This motived the proposal of an integrated system for analysis and assessment of vulnerability and risk caused by extreme events in urban areas that are particularly affected by complex topography. That requires a multi-scale approach, which is centered on a regional modeling system, consisting of a regional (spectral) climate model coupled to a land-surface scheme. This regional modeling system employs a boundary forcing method based on scale-selective bias correction and assimilation of satellite-based precipitation estimates. Scale-selective bias correction is a method similar to the spectral nudging technique for dynamical downscaling that allows internal modes to develop in agreement with the large-scale features, while the precipitation assimilation procedure improves the modeled deep-convection and drives the land-surface scheme variables. Here, the scale-selective bias correction acts only on the rotational part of the wind field, letting the precipitation assimilation procedure to correct moisture convergence, in order to reconstruct South American current climate within the South American Hydroclimate Reconstruction Project. The hydroclimate reconstruction outputs might eventually produce improved initial conditions for high-resolution numerical integrations in metropolitan regions, generating more reliable short-term precipitation predictions, and providing accurate hidrometeorological variables to higher resolution geomorphological models. Better representation of deep-convection from intermediate scales is relevant when the resolution of the regional modeling system is refined by any method to meet the scale of geomorphological dynamic models of stability and mass movement, assisting in the assessment of risk areas and estimation of terrain stability over complex topography. The reconstruction of past extreme events also helps the development of a system for decision-making, regarding natural and social disasters, and reducing impacts. Numerical experiments using this regional modeling system successfully modeled severe weather events in Brazil. Comparisons with the NCEP Climate Forecast System Reanalysis outputs were made at resolutions of about 40- and 25-km of the regional climate model.

Pore surface fractal analysis of palladium-alumina ceramic membrane using Frenkel-Halsey-Hill (FHH) model.

PubMed

Ahmad, A L; Mustafa, N N N

2006-09-15

The alumina ceramic membrane has been modified by the addition of palladium in order to improve the H(2) permeability and selectivity. Palladium-alumina ceramic membrane was prepared via a sol-gel method and subjected to thermal treatment in the temperature range 500-1100 degrees C. Fractal analysis from nitrogen adsorption isotherm is used to study the pore surface roughness of palladium-alumina ceramic membrane with different chemical composition (nitric acid, PVA and palladium) and calcinations process in terms of surface fractal dimension, D. Frenkel-Halsey-Hill (FHH) model was used to determine the D value of palladium-alumina membrane. Following FHH model, the D value of palladium-alumina membrane increased as the calcinations temperature increased from 500 to 700 degrees C but decreased after calcined at 900 and 1100 degrees C. With increasing palladium concentration from 0.5 g Pd/100 ml H(2)O to 2 g Pd/100 ml H(2)O, D value of membrane decreased, indicating to the smoother surface. Addition of higher amount of PVA and palladium reduced the surface fractal of the membrane due to the heterogeneous distribution of pores. However, the D value increased when nitric acid concentration was increased from 1 to 15 M. The effect of calcinations temperature, PVA ratio, palladium and acid concentration on membrane surface area, pore size and pore distribution also studied.

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

USGS Publications Warehouse

Ahearn, Elizabeth A.; Bjerklie, David M.

2010-01-01

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

Construction and Resource Utilization Explorer (CRUX): Implementing Instrument Suite Data Fusion to Characterize Regolith Hydrogen Resources

NASA Technical Reports Server (NTRS)

Haldemann, Albert F. C.; Johnson, Jerome B.; Elphic, Richard C.; Boynton, William V.; Wetzel, John

2006-01-01

CRUX is a modular suite of geophysical and borehole instruments combined with display and decision support system (MapperDSS) tools to characterize regolith resources, surface conditions, and geotechnical properties. CRUX is a NASA-funded Technology Maturation Program effort to provide enabling technology for Lunar and Planetary Surface Operations (LPSO). The MapperDSS uses data fusion methods with CRUX instruments, and other available data and models, to provide regolith properties information needed for LPSO that cannot be determined otherwise. We demonstrate the data fusion method by showing how it might be applied to characterize the distribution and form of hydrogen using a selection of CRUX instruments: Borehole Neutron Probe and Thermal Evolved Gas Analyzer data as a function of depth help interpret Surface Neutron Probe data to generate 3D information. Secondary information from other instruments along with physical models improves the hydrogen distribution characterization, enabling information products for operational decision-making.

Phage display for the discovery of hydroxyapatite-associated peptides.

PubMed

Jin, Hyo-Eon; Chung, Woo-Jae; Lee, Seung-Wuk

2013-01-01

In nature, proteins play a critical role in the biomineralization process. Understanding how different peptide or protein sequences selectively interact with the target crystal is of great importance. Identifying such protein structures is one of the critical steps in verifying the molecular mechanisms of biomineralization. One of the promising ways to obtain such information for a particular crystal surface is to screen combinatorial peptide libraries in a high-throughput manner. Among the many combinatorial library screening procedures, phage display is a powerful method to isolate such proteins and peptides. In this chapter, we will describe our established methods to perform phage display with inorganic crystal surfaces. Specifically, we will use hydroxyapatite as a model system for discovery of apatite-associated proteins in bone or tooth biomineralization studies. This model approach can be generalized to other desired crystal surfaces using the same experimental design principles with a little modification of the procedures. © 2013 Elsevier Inc. All rights reserved.

Self-organization of S adatoms on Au(111): √3R30° rows at low coverage

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

Walen, Holly, E-mail: hwalen@iastate.edu; Liu, Da-Jiang; Oh, Junepyo

Using scanning tunneling microscopy, we observe an adlayer structure that is dominated by short rows of S atoms, on unreconstructed regions of a Au(111) surface. This structure forms upon adsorption of low S coverage (less than 0.1 monolayer) on a fully reconstructed clean surface at 300 K, then cooling to 5 K for observation. The rows adopt one of three orientations that are rotated by 30° from the close-packed directions of the Au(111) substrate, and adjacent S atoms in the rows are separated by √3 times the surface lattice constant, a. Monte Carlo simulations are performed on lattice-gas models, derivedmore » using a limited cluster expansion based on density functional theory energetics. Models which include long-range pairwise interactions (extending to 5a), plus selected trio interactions, successfully reproduce the linear rows of S atoms at reasonable temperatures.« less

Mean-field and linear regime approach to magnetic hyperthermia of core-shell nanoparticles: can tiny nanostructures fight cancer?

PubMed

Carrião, Marcus S; Bakuzis, Andris F

2016-04-21

The phenomenon of heat dissipation by magnetic materials interacting with an alternating magnetic field, known as magnetic hyperthermia, is an emergent and promising therapy for many diseases, mainly cancer. Here, a magnetic hyperthermia model for core-shell nanoparticles is developed. The theoretical calculation, different from previous models, highlights the importance of heterogeneity by identifying the role of surface and core spins on nanoparticle heat generation. We found that the most efficient nanoparticles should be obtained by selecting materials to reduce the surface to core damping factor ratio, increasing the interface exchange parameter and tuning the surface to core anisotropy ratio for each material combination. From our results we propose a novel heat-based hyperthermia strategy with the focus on improving the heating efficiency of small sized nanoparticles instead of larger ones. This approach might have important implications for cancer treatment and could help improving clinical efficacy.

Self-organization of S adatoms on Au(111): √3R30° rows at low coverage.

PubMed

Walen, Holly; Liu, Da-Jiang; Oh, Junepyo; Lim, Hyunseob; Evans, J W; Kim, Yousoo; Thiel, P A

2015-07-07

Using scanning tunneling microscopy, we observe an adlayer structure that is dominated by short rows of S atoms, on unreconstructed regions of a Au(111) surface. This structure forms upon adsorption of low S coverage (less than 0.1 monolayer) on a fully reconstructed clean surface at 300 K, then cooling to 5 K for observation. The rows adopt one of three orientations that are rotated by 30° from the close-packed directions of the Au(111) substrate, and adjacent S atoms in the rows are separated by √3 times the surface lattice constant, a. Monte Carlo simulations are performed on lattice-gas models, derived using a limited cluster expansion based on density functional theory energetics. Models which include long-range pairwise interactions (extending to 5a), plus selected trio interactions, successfully reproduce the linear rows of S atoms at reasonable temperatures.

Improving data analysis in herpetology: Using Akaike's information criterion (AIC) to assess the strength of biological hypotheses

USGS Publications Warehouse

Mazerolle, M.J.

2006-01-01

In ecology, researchers frequently use observational studies to explain a given pattern, such as the number of individuals in a habitat patch, with a large number of explanatory (i.e., independent) variables. To elucidate such relationships, ecologists have long relied on hypothesis testing to include or exclude variables in regression models, although the conclusions often depend on the approach used (e.g., forward, backward, stepwise selection). Though better tools have surfaced in the mid 1970's, they are still underutilized in certain fields, particularly in herpetology. This is the case of the Akaike information criterion (AIC) which is remarkably superior in model selection (i.e., variable selection) than hypothesis-based approaches. It is simple to compute and easy to understand, but more importantly, for a given data set, it provides a measure of the strength of evidence for each model that represents a plausible biological hypothesis relative to the entire set of models considered. Using this approach, one can then compute a weighted average of the estimate and standard error for any given variable of interest across all the models considered. This procedure, termed model-averaging or multimodel inference, yields precise and robust estimates. In this paper, I illustrate the use of the AIC in model selection and inference, as well as the interpretation of results analysed in this framework with two real herpetological data sets. The AIC and measures derived from it is should be routinely adopted by herpetologists. ?? Koninklijke Brill NV 2006.

Selective detection of target proteins by peptide-enabled graphene biosensor.

PubMed

Khatayevich, Dmitriy; Page, Tamon; Gresswell, Carolyn; Hayamizu, Yuhei; Grady, William; Sarikaya, Mehmet

2014-04-24

Direct molecular detection of biomarkers is a promising approach for diagnosis and monitoring of numerous diseases, as well as a cornerstone of modern molecular medicine and drug discovery. Currently, clinical applications of biomarkers are limited by the sensitivity, complexity and low selectivity of available indirect detection methods. Electronic 1D and 2D nano-materials such as carbon nanotubes and graphene, respectively, offer unique advantages as sensing substrates for simple, fast and ultrasensitive detection of biomolecular binding. Versatile methods, however, have yet to be developed for simultaneous functionalization and passivation of the sensor surface to allow for enhanced detection and selectivity of the device. Herein, we demonstrate selective detection of a model protein against a background of serum protein using a graphene sensor functionalized via self-assembling multifunctional short peptides. The two peptides are engineered to bind to graphene and undergo co-assembly in the form of an ordered monomolecular film on the substrate. While the probe peptide displays the bioactive molecule, the passivating peptide prevents non-specific protein adsorption onto the device surface, ensuring target selectivity. In particular, we demonstrate a graphene field effect transistor (gFET) biosensor which can detect streptavidin against a background of serum bovine albumin at less than 50 ng/ml. Our nano-sensor design, allows us to restore the graphene surface and utilize each sensor in multiple experiments. The peptide-enabled gFET device has great potential to address a variety of bio-sensing problems, such as studying ligand-receptor interactions, or detection of biomarkers in a clinical setting. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Detecting overlapping instances in microscopy images using extremal region trees.

PubMed

Arteta, Carlos; Lempitsky, Victor; Noble, J Alison; Zisserman, Andrew

2016-01-01

In many microscopy applications the images may contain both regions of low and high cell densities corresponding to different tissues or colonies at different stages of growth. This poses a challenge to most previously developed automated cell detection and counting methods, which are designed to handle either the low-density scenario (through cell detection) or the high-density scenario (through density estimation or texture analysis). The objective of this work is to detect all the instances of an object of interest in microscopy images. The instances may be partially overlapping and clustered. To this end we introduce a tree-structured discrete graphical model that is used to select and label a set of non-overlapping regions in the image by a global optimization of a classification score. Each region is labeled with the number of instances it contains - for example regions can be selected that contain two or three object instances, by defining separate classes for tuples of objects in the detection process. We show that this formulation can be learned within the structured output SVM framework and that the inference in such a model can be accomplished using dynamic programming on a tree structured region graph. Furthermore, the learning only requires weak annotations - a dot on each instance. The candidate regions for the selection are obtained as extremal region of a surface computed from the microscopy image, and we show that the performance of the model can be improved by considering a proxy problem for learning the surface that allows better selection of the extremal regions. Furthermore, we consider a number of variations for the loss function used in the structured output learning. The model is applied and evaluated over six quite disparate data sets of images covering: fluorescence microscopy, weak-fluorescence molecular images, phase contrast microscopy and histopathology images, and is shown to exceed the state of the art in performance. Copyright © 2015 Elsevier B.V. All rights reserved.

Generating a Simulated Fluid Flow Over an Aircraft Surface Using Anisotropic Diffusion

NASA Technical Reports Server (NTRS)

Rodriguez, David L. (Inventor); Sturdza, Peter (Inventor)

2013-01-01

A fluid-flow simulation over a computer-generated aircraft surface is generated using a diffusion technique. The surface is comprised of a surface mesh of polygons. A boundary-layer fluid property is obtained for a subset of the polygons of the surface mesh. A pressure-gradient vector is determined for a selected polygon, the selected polygon belonging to the surface mesh but not one of the subset of polygons. A maximum and minimum diffusion rate is determined along directions determined using a pressure gradient vector corresponding to the selected polygon. A diffusion-path vector is defined between a point in the selected polygon and a neighboring point in a neighboring polygon. An updated fluid property is determined for the selected polygon using a variable diffusion rate, the variable diffusion rate based on the minimum diffusion rate, maximum diffusion rate, and angular difference between the diffusion-path vector and the pressure-gradient vector.

Water-compatible 'aspartame'-imprinted polymer grafted on silica surface for selective recognition in aqueous solution.

PubMed

Singh, Meenakshi; Kumar, Abhishek; Tarannum, Nazia

2013-05-01

Molecularly imprinted polymers selective for aspartame have been prepared using N-[2-ammonium-ethyl-piperazinium) maleimidopropane sulfonate copolymer bearing zwitterionic centres along the backbone via a surface-confined grafting procedure. Aspartame, a dipeptide, is commonly used as an artificial sweetener. Polymerisation on the surface was propagated by means of Michael addition reaction on amino-grafted silica surface. Electrostatic interactions along with complementary H-bonding and other hydrophobic interactions inducing additional synergetic effect between the template (aspartame) and the imprinted surface led to the formation of imprinted sites. The MIP was able to selectively and specifically take up aspartame from aqueous solution and certain pharmaceutical samples quantitatively. Hence, a facile, specific and selective technique using surface-grafted specific molecular contours developed for specific and selective uptake of aspartame in the presence of various interferrants, in different kinds of matrices is presented.

Calculation of total cross sections for charge exchange in molecular collisions

NASA Technical Reports Server (NTRS)

Ioup, J.

1979-01-01

Areas of investigation summarized include nitrogen ion-nitrogen molecule collisions; molecular collisions with surfaces; molecular identification from analysis of cracking patterns of selected gases; computer modelling of a quadrupole mass spectrometer; study of space charge in a quadrupole; transmission of the 127 deg cylindrical electrostatic analyzer; and mass spectrometer data deconvolution.